#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvy s LYS 23 N 0.00 4.45 0.08 4.33 2.20 -1.26 -5.04 119.74 124.50 2wvy s LYS 23 Ca 0.00 1.86 0.10 0.00 -0.36 0.00 0.00 55.97 57.57 2wvy s LYS 23 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2wvy s LYS 23 CO 0.00 -0.19 -0.25 0.15 -0.36 0.00 0.00 175.35 174.69 2wvy s LYS 24 N 0.41 1.54 0.18 4.03 1.02 -1.26 -5.03 119.74 120.63 2wvy s LYS 24 Ca 0.56 -1.18 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 2wvy s LYS 24 Cb -0.32 -1.84 0.12 0.00 -0.52 0.00 0.00 37.83 35.27 2wvy s LYS 24 CO 0.33 0.46 1.82 1.15 -0.92 0.00 0.00 175.35 178.18 2wvy h THR 25 N 4.10 1.05 -3.56 2.17 2.02 -2.09 -3.36 112.91 113.24 2wvy h THR 25 Ca -0.48 -0.22 -0.67 0.00 0.77 0.00 0.00 66.41 65.81 2wvy h THR 25 Cb 1.16 0.35 -0.30 0.00 -1.74 0.00 0.00 68.15 67.61 2wvy h THR 25 CO 0.42 0.12 -0.70 -0.69 0.37 0.00 0.00 175.52 175.03 2wvy s VAL 26 N -6.13 3.23 0.44 3.16 1.01 -1.26 -5.11 120.40 115.73 2wvy s VAL 26 Ca -0.13 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2wvy s VAL 26 Cb 0.13 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2wvy s VAL 26 CO 0.74 0.14 0.63 -1.61 0.00 0.00 0.00 175.10 175.00 2wvy s GLU 27 N 1.38 2.95 0.26 2.72 0.41 -1.26 -4.99 118.70 120.17 2wvy s GLU 27 Ca 0.01 -0.76 -0.02 0.00 -0.41 0.00 0.00 54.97 53.79 2wvy s GLU 27 Cb -0.17 -2.63 0.47 0.00 -1.78 0.00 0.00 34.13 30.01 2wvy s GLU 27 CO -0.02 -0.27 1.81 0.74 -0.49 0.00 0.00 175.26 177.03 2wvy h PHE 28 N 0.49 0.91 0.00 1.61 0.04 -1.96 -1.42 116.94 116.61 2wvy h PHE 28 Ca -0.45 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.28 2wvy h PHE 28 Cb 1.26 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 2wvy h PHE 28 CO 0.42 0.34 -0.37 -0.24 -0.60 0.00 0.00 178.31 177.86 2wvy h VAL 29 N 0.81 1.24 0.00 -0.55 3.04 -1.91 -1.58 116.25 117.29 2wvy h VAL 29 Ca 0.44 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2wvy h VAL 29 Cb 0.46 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2wvy h VAL 29 CO -0.28 0.37 0.00 0.44 -1.01 0.00 0.00 177.57 177.09 2wvy h ASP 30 N 0.00 0.00 0.61 3.17 3.32 -1.64 -0.48 116.42 121.40 2wvy h ASP 30 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wvy h ASP 30 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2wvy h ASP 30 CO 0.05 0.00 -0.18 -1.22 -1.72 0.00 0.00 179.24 176.17 2wvy n TYR 31 N -2.60 0.00 -2.78 4.55 4.01 -0.59 -4.89 117.16 114.85 2wvy n TYR 31 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2wvy n TYR 31 Cb 0.10 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 2wvy n TYR 31 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wvy s VAL 32 N -2.79 4.85 -0.40 -0.72 1.01 -0.19 -4.34 120.40 117.81 2wvy s VAL 32 Ca 0.19 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 2wvy s VAL 32 Cb 0.19 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2wvy s VAL 32 CO 0.55 0.05 0.19 0.21 0.00 0.00 0.00 175.10 176.11 2wvy s ASN 33 N 1.07 5.30 0.07 3.32 2.47 -1.26 -4.80 114.94 121.12 2wvy s ASN 33 Ca 0.45 -1.79 0.13 0.00 0.42 0.00 0.00 52.86 52.07 2wvy s ASN 33 Cb -0.18 -1.85 0.58 0.00 -1.45 0.00 0.00 41.25 38.35 2wvy s ASN 33 CO 0.18 -0.50 1.41 -2.65 -3.72 0.00 0.00 177.10 171.82 2wvy n PRO 34 N 4.68 0.05 0.00 0.43 -0.02 -1.26 -1.95 135.00 136.93 2wvy n PRO 34 Ca -0.06 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2wvy n PRO 34 Cb 0.42 -1.61 0.42 0.00 -0.02 0.00 0.00 33.50 32.71 2wvy n PRO 34 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wvy n LEU 35 N -1.70 0.53 -4.66 2.45 4.77 -1.26 -3.71 117.00 113.42 2wvy n LEU 35 Ca 0.02 0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.56 2wvy n LEU 35 Cb 0.13 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2wvy n LEU 35 CO 0.11 0.11 1.57 0.80 -1.33 0.00 0.00 177.39 178.65 2wvy n MET 36 N -1.18 2.43 -0.36 3.23 1.56 -0.82 -1.64 117.12 120.34 2wvy n MET 36 Ca 0.09 0.88 0.00 0.00 -0.27 0.00 0.00 57.70 58.40 2wvy n MET 36 Cb 0.32 -2.82 0.00 0.00 2.15 0.00 0.00 33.22 32.87 2wvy n MET 36 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wvy n GLY 37 N 4.60 0.82 0.17 -5.12 0.00 -0.41 -4.85 105.19 100.41 2wvy n GLY 37 Ca 0.22 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2wvy n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvy n THR 38 N -2.36 0.00 -1.68 2.61 -2.24 -0.65 -2.19 114.28 107.77 2wvy n THR 38 Ca 0.00 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 2wvy n THR 38 Cb 0.00 0.79 0.10 0.00 -2.10 0.00 0.00 70.33 69.12 2wvy n THR 38 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wvy n GLU 39 N -0.97 2.73 -3.68 -0.78 2.13 -0.78 -1.45 120.64 117.84 2wvy n GLU 39 Ca 0.07 -3.63 -0.12 0.00 0.66 0.00 0.00 57.16 54.14 2wvy n GLU 39 Cb 0.37 -2.09 -0.12 0.00 0.27 0.00 0.00 31.44 29.87 2wvy n GLU 39 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2wvy s ASN 48 N -2.90 -0.05 0.46 4.31 2.47 -1.17 -4.44 114.94 113.62 2wvy s ASN 48 Ca 0.51 0.71 0.00 0.00 0.42 0.00 0.00 52.86 54.50 2wvy s ASN 48 Cb 0.43 0.79 0.00 0.00 -1.45 0.00 0.00 41.25 41.02 2wvy s ASN 48 CO 0.01 -0.21 0.04 0.35 -3.72 0.00 0.00 177.10 173.57 2wvy n THR 49 N 4.94 0.00 -4.11 -5.21 -2.24 -0.93 -4.64 114.28 102.09 2wvy n THR 49 Ca -0.14 -2.11 -0.13 0.00 -2.27 0.00 0.00 64.05 59.40 2wvy n THR 49 Cb 0.51 0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 69.00 2wvy n THR 49 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2wvy s TYR 50 N -2.61 0.82 -1.31 4.78 -0.85 -1.26 -4.56 117.35 112.36 2wvy s TYR 50 Ca 0.03 -0.63 -0.17 0.00 -0.52 0.00 0.00 57.07 55.79 2wvy s TYR 50 Cb -0.00 -0.48 0.01 0.00 0.38 0.00 0.00 41.96 41.87 2wvy s TYR 50 CO 0.02 -0.08 2.05 -0.35 -1.52 0.00 0.00 175.55 175.67 2wvy n PRO 51 N 0.94 2.68 -1.68 -3.49 -0.04 -1.24 -4.93 135.00 127.24 2wvy n PRO 51 Ca -0.19 -2.66 -0.46 0.00 -0.04 0.00 0.00 63.50 60.16 2wvy n PRO 51 Cb 0.57 -3.31 -0.04 0.00 -0.04 0.00 0.00 33.50 30.67 2wvy n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wvy n ALA 52 N 7.31 1.44 -2.67 0.55 0.00 -1.26 -4.76 120.51 121.12 2wvy n ALA 52 Ca 0.51 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.99 2wvy n ALA 52 Cb 0.41 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 2wvy n ALA 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wvy s VAL 53 N 1.51 5.25 0.16 0.00 1.01 0.42 -4.53 120.40 124.22 2wvy s VAL 53 Ca 0.81 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.70 2wvy s VAL 53 Cb -0.66 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.34 2wvy s VAL 53 CO 0.39 0.32 1.06 0.00 0.00 0.00 0.00 175.10 176.88 2wvy s ALA 54 N 1.26 -1.68 0.29 5.51 0.00 -0.71 -1.39 121.76 125.03 2wvy s ALA 54 Ca 0.07 -0.26 0.11 0.00 0.00 0.00 0.00 51.96 51.88 2wvy s ALA 54 Cb -0.14 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 2wvy s ALA 54 CO 0.06 -1.07 -0.14 0.14 0.00 0.00 0.00 175.76 174.75 2wvy s VAL 55 N -2.22 2.59 0.16 0.00 -7.23 -1.26 -4.55 120.40 107.89 2wvy s VAL 55 Ca 0.22 -2.27 -0.34 0.00 -1.81 0.00 0.00 61.98 57.78 2wvy s VAL 55 Cb -0.02 -2.48 -0.15 0.00 0.56 0.00 0.00 36.38 34.29 2wvy s VAL 55 CO 0.04 -0.35 1.45 -2.65 -0.31 0.00 0.00 175.10 173.28 2wvy n PRO 56 N -0.72 1.77 -1.55 4.82 -0.02 -1.26 -1.49 135.00 136.54 2wvy n PRO 56 Ca -0.05 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 2wvy n PRO 56 Cb 0.61 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 2wvy n PRO 56 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2wvy n TRP 57 N 2.73 -0.05 -1.78 6.00 8.01 -0.25 -4.93 117.44 127.18 2wvy n TRP 57 Ca 0.16 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.96 2wvy n TRP 57 Cb 0.26 -3.32 0.02 0.00 -2.01 0.00 0.00 31.31 26.27 2wvy n TRP 57 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2wvy s GLY 58 N -2.66 2.91 0.22 6.99 0.00 -0.55 -0.54 107.32 113.69 2wvy s GLY 58 Ca 0.00 1.45 -0.08 0.00 0.00 0.00 0.00 44.72 46.09 2wvy s GLY 58 CO 0.00 2.05 1.84 1.98 0.00 0.00 0.00 173.10 178.97 2wvy h MET 59 N 2.13 1.21 -5.79 2.90 4.05 -1.42 -3.40 114.93 114.60 2wvy h MET 59 Ca -0.51 -0.14 -0.66 0.00 -0.28 0.00 0.00 59.70 58.11 2wvy h MET 59 Cb 1.27 -0.23 -0.31 0.00 -0.80 0.00 0.00 31.60 31.52 2wvy h MET 59 CO 0.60 0.89 -0.87 -0.80 0.23 0.00 0.00 176.91 176.96 2wvy s ASN 60 N -6.19 2.84 0.25 1.39 0.02 -0.59 -4.93 114.94 107.73 2wvy s ASN 60 Ca -0.13 -0.47 0.07 0.00 -1.02 0.00 0.00 52.86 51.31 2wvy s ASN 60 Cb 0.16 -0.82 -0.04 0.00 0.02 0.00 0.00 41.25 40.58 2wvy s ASN 60 CO 0.82 0.22 0.18 -0.36 0.02 0.00 0.00 177.10 177.98 2wvy s PHE 61 N -0.08 3.08 0.06 2.20 0.08 -0.90 -4.71 117.98 117.72 2wvy s PHE 61 Ca -0.05 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 56.96 2wvy s PHE 61 Cb -0.13 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 2wvy s PHE 61 CO 0.04 0.53 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.90 2wvy s TRP 62 N -2.15 1.75 -0.09 0.36 0.52 -0.49 -0.29 118.94 118.56 2wvy s TRP 62 Ca 0.33 -0.38 -0.24 0.00 0.02 0.00 0.00 56.10 55.82 2wvy s TRP 62 Cb -0.08 -1.02 0.05 0.00 -1.15 0.00 0.00 33.47 31.28 2wvy s TRP 62 CO 0.25 0.12 0.56 0.45 0.02 0.00 0.00 176.95 178.34 2wvy s SER 63 N -1.36 -0.53 0.67 2.95 0.15 -0.30 -0.44 113.70 114.84 2wvy s SER 63 Ca 0.07 0.69 -0.16 0.00 0.70 0.00 0.00 55.95 57.24 2wvy s SER 63 Cb -0.09 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 2wvy s SER 63 CO 0.02 -0.46 1.20 -2.16 1.20 0.00 0.00 173.24 173.05 2wvy s PRO 64 N -0.81 2.50 -0.11 5.44 0.04 -1.26 0.19 135.00 140.99 2wvy s PRO 64 Ca -0.09 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.73 2wvy s PRO 64 Cb -0.02 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.66 2wvy s PRO 64 CO 0.06 -1.56 -0.13 -1.14 0.04 0.00 0.00 177.00 174.28 2wvy s GLN 65 N -3.71 1.98 -0.12 4.56 0.74 0.57 -4.58 119.66 119.09 2wvy s GLN 65 Ca 0.75 -0.46 0.10 0.00 0.05 0.00 0.00 55.36 55.80 2wvy s GLN 65 Cb -0.29 -1.77 -0.14 0.00 1.10 0.00 0.00 33.01 31.90 2wvy s GLN 65 CO 0.41 -0.13 0.02 0.25 -0.55 0.00 0.00 175.29 175.29 2wvy n THR 66 N 4.42 0.84 -1.73 -0.34 -2.24 0.98 -0.39 114.28 115.82 2wvy n THR 66 Ca -0.18 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 2wvy n THR 66 Cb 0.51 -0.72 0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2wvy n THR 66 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wvy s GLY 67 N -4.62 1.63 0.71 3.38 0.00 -0.46 -4.69 107.32 103.28 2wvy s GLY 67 Ca -0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.27 2wvy s GLY 67 CO 0.48 0.15 1.18 -0.54 0.00 0.00 0.00 173.10 174.38 2wvy s GLU 68 N -5.23 2.28 0.23 2.90 2.02 -1.26 -4.90 118.70 114.74 2wvy s GLU 68 Ca 0.59 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.95 2wvy s GLU 68 Cb -0.13 -1.86 -0.15 0.00 0.10 0.00 0.00 34.13 32.10 2wvy s GLU 68 CO 0.53 -1.71 1.11 0.09 0.02 0.00 0.00 175.26 175.31 2wvy n ASN 69 N -2.66 1.44 0.00 -0.19 4.13 -1.26 -2.02 115.26 114.71 2wvy n ASN 69 Ca 0.13 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.54 2wvy n ASN 69 Cb 0.51 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 2wvy n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvy n GLY 70 N 1.68 3.24 3.74 7.41 0.00 -1.26 -5.04 105.19 114.96 2wvy n GLY 70 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2wvy n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wvy s SER 71 N -0.32 7.33 0.56 1.61 0.15 -0.86 -4.93 113.70 117.24 2wvy s SER 71 Ca 0.00 1.59 0.33 0.00 0.70 0.00 0.00 55.95 58.57 2wvy s SER 71 Cb 0.00 -2.52 1.55 0.00 -1.71 0.00 0.00 66.02 63.34 2wvy s SER 71 CO 0.00 -0.04 2.07 1.23 1.20 0.00 0.00 173.24 177.70 2wvy h GLY 72 N 5.73 0.00 -7.55 9.45 0.00 -1.89 -3.34 103.07 105.46 2wvy h GLY 72 Ca -0.43 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.18 2wvy h GLY 72 CO 0.72 0.00 1.80 0.79 0.00 0.00 0.00 176.54 179.84 2wvy n TRP 73 N -3.25 4.60 -0.08 5.60 8.01 -1.26 -4.41 117.44 126.66 2wvy n TRP 73 Ca -0.01 -3.12 -0.14 0.00 -1.31 0.00 0.00 57.50 52.93 2wvy n TRP 73 Cb 0.26 -2.33 -0.05 0.00 -2.01 0.00 0.00 31.31 27.17 2wvy n TRP 73 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.69 178.66 2wvy h MET 74 N 7.07 0.67 -3.75 -0.99 1.85 -1.92 -3.30 114.93 114.56 2wvy h MET 74 Ca 0.38 -0.39 -0.42 0.00 -0.61 0.00 0.00 59.70 58.66 2wvy h MET 74 Cb 0.83 0.03 -0.37 0.00 0.43 0.00 0.00 31.60 32.53 2wvy h MET 74 CO 1.39 1.01 -0.76 -0.47 -0.40 0.00 0.00 176.91 177.67 2wvy s TYR 75 N -4.21 0.61 -0.07 1.39 5.04 -1.26 -0.01 117.35 118.84 2wvy s TYR 75 Ca -0.12 -0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.41 2wvy s TYR 75 Cb 0.08 -0.71 -0.00 0.00 0.35 0.00 0.00 41.96 41.68 2wvy s TYR 75 CO 0.83 -0.27 -0.20 0.99 -1.34 0.00 0.00 175.55 175.56 2wvy s THR 76 N 1.64 1.70 0.40 4.34 2.01 -1.26 -4.75 115.64 119.71 2wvy s THR 76 Ca -0.00 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.23 2wvy s THR 76 Cb -0.13 -1.47 0.23 0.00 0.01 0.00 0.00 72.50 71.15 2wvy s THR 76 CO -0.04 0.48 2.01 0.22 -0.69 0.00 0.00 174.62 176.60 2wvy h TYR 77 N 6.48 0.48 0.00 4.92 3.20 -1.64 -1.08 116.97 129.34 2wvy h TYR 77 Ca -0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2wvy h TYR 77 Cb 1.20 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2wvy h TYR 77 CO 0.45 0.36 0.00 0.25 -1.64 0.00 0.00 178.16 177.59 2wvy n THR 78 N -4.41 0.02 -2.46 1.81 -2.24 -1.26 -4.83 114.28 100.89 2wvy n THR 78 Ca 0.02 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 2wvy n THR 78 Cb 0.12 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 2wvy n THR 78 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wvy s ASP 79 N -2.75 7.01 0.00 3.42 1.01 -0.41 -4.95 116.67 119.99 2wvy s ASP 79 Ca 0.22 2.22 0.04 0.00 0.71 0.00 0.00 52.55 55.75 2wvy s ASP 79 Cb 0.20 -2.61 0.12 0.00 1.01 0.00 0.00 42.92 41.63 2wvy s ASP 79 CO 0.49 -0.32 1.08 -1.54 0.21 0.00 0.00 175.17 175.08 2wvy n SER 80 N 0.67 2.32 -3.96 0.27 3.41 -1.26 -4.95 113.62 110.12 2wvy n SER 80 Ca 0.01 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.43 2wvy n SER 80 Cb 0.46 -0.09 -0.17 0.00 -0.26 0.00 0.00 64.21 64.16 2wvy n SER 80 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wvy s LEU 81 N -0.97 1.45 -0.08 1.04 1.43 -1.26 -2.09 118.68 118.20 2wvy s LEU 81 Ca 0.09 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2wvy s LEU 81 Cb 0.05 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2wvy s LEU 81 CO 0.06 -0.02 0.05 -0.32 0.23 0.00 0.00 176.35 176.35 2wvy s MET 82 N 0.94 3.11 -0.03 1.70 -2.45 -0.35 -4.48 119.30 117.74 2wvy s MET 82 Ca -0.10 -0.35 0.06 0.00 -1.25 0.00 0.00 55.69 54.05 2wvy s MET 82 Cb -0.15 -2.90 -0.09 0.00 1.25 0.00 0.00 34.83 32.94 2wvy s MET 82 CO 0.00 0.71 0.09 0.54 1.05 0.00 0.00 175.02 177.42 2wvy n ARG 83 N 1.93 1.47 -3.84 4.11 1.74 0.48 -1.29 116.66 121.26 2wvy n ARG 83 Ca -0.18 -0.03 0.03 0.00 -0.77 0.00 0.00 57.85 56.90 2wvy n ARG 83 Cb 0.54 -1.16 0.01 0.00 -1.02 0.00 0.00 32.46 30.83 2wvy n ARG 83 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wvy s GLY 84 N -3.20 -0.29 -0.23 -0.13 0.00 -1.19 -4.81 107.32 97.47 2wvy s GLY 84 Ca -0.03 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 2wvy s GLY 84 CO 0.26 3.86 -0.09 -1.36 0.00 0.00 0.00 173.10 175.77 2wvy s PHE 85 N -2.07 2.98 -0.01 1.90 0.08 -0.29 -0.32 117.98 120.25 2wvy s PHE 85 Ca 0.24 -1.44 -0.13 0.00 0.12 0.00 0.00 56.93 55.72 2wvy s PHE 85 Cb 0.03 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 2wvy s PHE 85 CO -0.03 -0.71 0.37 1.03 -0.10 0.00 0.00 175.22 175.78 2wvy s ARG 86 N 1.35 3.84 -0.27 0.44 1.81 0.13 -1.33 118.95 124.91 2wvy s ARG 86 Ca 0.02 0.32 -0.27 0.00 -1.72 0.00 0.00 55.73 54.08 2wvy s ARG 86 Cb -0.15 -3.19 0.01 0.00 -0.45 0.00 0.00 34.95 31.16 2wvy s ARG 86 CO -0.06 0.69 0.93 -1.14 -0.68 0.00 0.00 175.30 175.04 2wvy s GLN 87 N -1.17 4.14 0.16 3.54 0.74 -0.53 -1.15 119.66 125.39 2wvy s GLN 87 Ca 0.24 1.03 0.06 0.00 0.05 0.00 0.00 55.36 56.74 2wvy s GLN 87 Cb -0.16 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2wvy s GLN 87 CO 0.13 -0.66 -0.13 -0.08 -0.55 0.00 0.00 175.29 173.99 2wvy s THR 88 N 3.14 1.48 0.00 -0.34 -1.32 0.60 -3.44 115.64 115.76 2wvy s THR 88 Ca 0.39 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 2wvy s THR 88 Cb -0.14 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 2wvy s THR 88 CO 0.10 -0.57 0.56 1.41 -2.21 0.00 0.00 174.62 173.91 2wvy n HIS 89 N -0.03 0.00 -1.68 9.09 8.25 -1.26 -2.11 115.22 127.48 2wvy n HIS 89 Ca -0.11 -0.15 -0.46 0.00 -0.26 0.00 0.00 57.72 56.74 2wvy n HIS 89 Cb 0.59 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 2wvy n HIS 89 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2wvy n GLN 90 N -0.15 2.43 0.04 -0.41 7.27 -1.26 -4.90 117.38 120.40 2wvy n GLN 90 Ca 0.00 0.89 -0.03 0.00 0.07 0.00 0.00 57.00 57.92 2wvy n GLN 90 Cb 0.19 -2.75 -0.08 0.00 2.41 0.00 0.00 30.24 30.00 2wvy n GLN 90 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2wvy h PRO 91 N 8.87 0.00 -2.64 3.69 0.13 -1.89 -3.49 132.00 136.67 2wvy h PRO 91 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2wvy h PRO 91 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 2wvy h PRO 91 CO 0.94 0.53 0.30 -1.54 -0.23 0.00 0.00 178.00 177.99 2wvy s SER 92 N -6.18 -0.52 0.33 1.44 1.04 -1.26 -5.03 113.70 103.52 2wvy s SER 92 Ca -0.01 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.53 2wvy s SER 92 Cb 0.09 0.52 0.57 0.00 0.10 0.00 0.00 66.02 67.30 2wvy s SER 92 CO 0.80 -0.81 1.93 -0.65 0.98 0.00 0.00 173.24 175.49 2wvy h PRO 93 N 2.14 0.75 -0.40 4.02 0.11 -1.82 0.43 132.00 137.24 2wvy h PRO 93 Ca -0.29 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 2wvy h PRO 93 Cb 1.27 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2wvy h PRO 93 CO 0.36 0.60 0.10 2.35 -0.21 0.00 0.00 178.00 181.20 2wvy h TRP 94 N 0.75 0.66 -0.14 0.65 7.01 -1.96 -3.09 115.95 119.83 2wvy h TRP 94 Ca 0.19 -0.07 -0.17 0.00 2.11 0.00 0.00 58.89 60.94 2wvy h TRP 94 Cb 0.11 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 2wvy h TRP 94 CO 0.01 0.63 -0.63 0.82 -2.79 0.00 0.00 178.44 176.47 2wvy h ILE 95 N 0.50 1.34 -0.81 2.65 1.08 -1.90 -3.49 117.51 116.88 2wvy h ILE 95 Ca 0.13 -1.94 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 2wvy h ILE 95 Cb 0.30 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2wvy h ILE 95 CO -0.00 0.60 0.00 -3.20 -0.69 0.00 0.00 178.15 174.85 2wvy n ASN 96 N -3.91 -2.44 -4.78 1.72 2.85 0.12 -4.82 115.26 104.00 2wvy n ASN 96 Ca -0.04 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.19 2wvy n ASN 96 Cb 0.65 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.61 2wvy n ASN 96 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wvy s ASP 97 N -4.00 4.54 0.10 1.20 -1.08 -1.26 -4.33 116.67 111.83 2wvy s ASP 97 Ca 0.00 -1.07 -0.20 0.00 -0.52 0.00 0.00 52.55 50.76 2wvy s ASP 97 Cb 0.00 -0.35 0.05 0.00 -1.46 0.00 0.00 42.92 41.16 2wvy s ASP 97 CO 0.00 -0.64 0.49 -0.72 0.52 0.00 0.00 175.17 174.82 2wvy s TYR 98 N -2.61 -0.37 -1.30 -5.34 -0.85 -1.26 -3.26 117.35 102.35 2wvy s TYR 98 Ca 0.40 0.24 -0.05 0.00 -0.52 0.00 0.00 57.07 57.14 2wvy s TYR 98 Cb 0.02 0.36 0.01 0.00 0.38 0.00 0.00 41.96 42.73 2wvy s TYR 98 CO 0.22 -0.70 1.09 0.41 -1.52 0.00 0.00 175.55 175.05 2wvy n GLY 99 N 0.03 -0.46 3.37 5.49 0.00 -0.59 -4.28 105.19 108.75 2wvy n GLY 99 Ca -0.17 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2wvy n GLY 99 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wvy s THR 100 N -3.35 2.34 0.22 2.61 -1.32 -1.26 -4.78 115.64 110.10 2wvy s THR 100 Ca 0.34 -1.25 -0.09 0.00 -1.21 0.00 0.00 61.69 59.47 2wvy s THR 100 Cb -0.15 -1.91 -0.01 0.00 -1.51 0.00 0.00 72.50 68.91 2wvy s THR 100 CO 0.74 0.41 0.36 0.72 -2.21 0.00 0.00 174.62 174.64 2wvy s PHE 101 N -0.80 0.57 0.08 9.09 -0.12 -1.22 -4.50 117.98 121.07 2wvy s PHE 101 Ca 0.12 -0.89 0.01 0.00 -0.05 0.00 0.00 56.93 56.12 2wvy s PHE 101 Cb -0.10 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 2wvy s PHE 101 CO 0.02 -0.87 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.73 2wvy s SER 102 N -3.05 0.88 -0.08 1.98 1.04 0.15 -1.45 113.70 113.17 2wvy s SER 102 Ca 0.26 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2wvy s SER 102 Cb 0.02 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.27 2wvy s SER 102 CO 0.08 -0.49 -0.15 -0.63 0.98 0.00 0.00 173.24 173.04 2wvy s ILE 103 N -3.49 1.41 -0.22 -1.02 1.01 -0.45 -0.58 121.20 117.86 2wvy s ILE 103 Ca 0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2wvy s ILE 103 Cb 0.05 -1.27 0.08 0.00 0.01 0.00 0.00 42.46 41.32 2wvy s ILE 103 CO -0.06 0.42 0.09 -0.32 0.00 0.00 0.00 174.94 175.07 2wvy s MET 104 N 0.66 0.27 0.46 2.79 1.75 0.34 -1.14 119.30 124.43 2wvy s MET 104 Ca -0.14 -0.36 -0.24 0.00 -1.25 0.00 0.00 55.69 53.70 2wvy s MET 104 Cb -0.16 -1.69 -0.07 0.00 2.84 0.00 0.00 34.83 35.74 2wvy s MET 104 CO 0.04 -0.80 1.25 -2.14 -0.65 0.00 0.00 175.02 172.72 2wvy s PRO 105 N 2.03 3.70 0.00 4.11 0.02 -1.26 -0.61 135.00 142.99 2wvy s PRO 105 Ca 0.04 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.05 2wvy s PRO 105 Cb -0.16 -2.49 -0.00 0.00 0.02 0.00 0.00 34.50 31.86 2wvy s PRO 105 CO -0.19 -0.66 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.30 2wvy s LEU 106 N -2.94 2.04 -0.08 -5.54 1.43 -0.05 -4.92 118.68 108.63 2wvy s LEU 106 Ca 0.63 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2wvy s LEU 106 Cb -0.34 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 2wvy s LEU 106 CO 0.42 -0.05 -0.09 0.00 0.23 0.00 0.00 176.35 176.85 2wvy s ALA 107 N -0.26 2.85 0.00 4.21 0.00 -1.26 -0.90 121.76 126.41 2wvy s ALA 107 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2wvy s ALA 107 Cb -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2wvy s ALA 107 CO -0.00 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2wvy n GLY 108 N 2.56 1.32 3.73 0.00 0.00 -0.43 -4.93 105.19 107.44 2wvy n GLY 108 Ca -0.18 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2wvy n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvy s GLU 109 N 0.00 4.58 0.10 1.61 -6.30 -1.26 -4.51 118.70 112.92 2wvy s GLU 109 Ca 0.00 1.70 -0.30 0.00 -2.50 0.00 0.00 54.97 53.87 2wvy s GLU 109 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 34.13 30.78 2wvy s GLU 109 CO 0.00 0.04 0.95 -1.17 0.02 0.00 0.00 175.26 175.11 2wvy s LEU 110 N -0.15 4.48 -0.04 2.70 2.96 -1.26 -5.02 118.68 122.35 2wvy s LEU 110 Ca 0.50 1.76 -0.00 0.00 -0.22 0.00 0.00 54.13 56.18 2wvy s LEU 110 Cb -0.29 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.86 2wvy s LEU 110 CO 0.34 -0.08 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.74 2wvy s LYS 111 N 0.10 0.45 -0.13 1.98 -0.14 -1.26 -5.08 119.74 115.66 2wvy s LYS 111 Ca 0.47 0.07 -0.08 0.00 -1.36 0.00 0.00 55.97 55.07 2wvy s LYS 111 Cb -0.23 -0.68 -0.03 0.00 -1.68 0.00 0.00 37.83 35.21 2wvy s LYS 111 CO 0.29 -0.18 -0.16 0.52 -0.76 0.00 0.00 175.35 175.06 2wvy h MET 112 N 7.61 0.00 -7.00 1.68 2.86 -1.96 -3.44 114.93 114.68 2wvy h MET 112 Ca -0.33 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.79 2wvy h MET 112 Cb 1.13 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.88 2wvy h MET 112 CO 0.39 0.00 0.54 0.45 1.06 0.00 0.00 176.91 179.35 2wvy s SER 113 N -5.66 5.95 0.61 1.22 0.15 -1.26 -4.82 113.70 109.89 2wvy s SER 113 Ca -0.14 2.50 0.37 0.00 0.70 0.00 0.00 55.95 59.39 2wvy s SER 113 Cb 0.02 -2.62 2.02 0.00 -1.71 0.00 0.00 66.02 63.73 2wvy s SER 113 CO 0.20 -1.09 2.26 1.12 1.20 0.00 0.00 173.24 176.94 2wvy h HIS 114 N 2.01 0.00 0.00 3.44 2.07 -1.93 -0.28 115.15 120.47 2wvy h HIS 114 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2wvy h HIS 114 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2wvy h HIS 114 CO 0.51 0.02 0.00 1.63 -3.07 0.00 0.00 177.93 177.02 2wvy n LYS 115 N -3.37 0.17 0.00 5.12 4.76 -1.26 -3.65 118.16 119.93 2wvy n LYS 115 Ca -0.02 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2wvy n LYS 115 Cb 0.12 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 2wvy n LYS 115 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wvy n GLU 116 N -2.13 3.37 -2.71 1.97 1.02 -0.19 -4.85 120.64 117.13 2wvy n GLU 116 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2wvy n GLU 116 Cb 0.25 -0.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 2wvy n GLU 116 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wvy s ARG 117 N -1.42 3.62 -0.18 3.49 0.52 -0.76 -4.92 118.95 119.31 2wvy s ARG 117 Ca 0.00 -1.43 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 2wvy s ARG 117 Cb 0.00 -5.19 0.03 0.00 0.52 0.00 0.00 34.95 30.31 2wvy s ARG 117 CO 0.00 -2.03 -0.12 -0.51 0.02 0.00 0.00 175.30 172.66 2wvy s LEU 118 N 4.00 2.07 -0.17 2.53 2.01 -1.26 -3.87 118.68 123.98 2wvy s LEU 118 Ca 0.41 -0.74 0.01 0.00 0.01 0.00 0.00 54.13 53.82 2wvy s LEU 118 Cb -0.02 -1.22 0.02 0.00 0.01 0.00 0.00 46.19 44.99 2wvy s LEU 118 CO -0.09 -0.11 -0.16 -0.69 1.01 0.00 0.00 176.35 176.31 2wvy s VAL 119 N 1.43 1.80 0.35 -1.59 1.01 -0.41 -4.85 120.40 118.15 2wvy s VAL 119 Ca 0.01 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2wvy s VAL 119 Cb -0.15 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.45 2wvy s VAL 119 CO -0.09 0.46 1.36 -2.84 0.00 0.00 0.00 175.10 173.99 2wvy s PRO 120 N 1.38 4.23 0.17 2.72 0.02 -1.26 -1.21 135.00 141.06 2wvy s PRO 120 Ca 0.04 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 2wvy s PRO 120 Cb -0.13 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.38 2wvy s PRO 120 CO -0.11 -0.33 0.32 -0.59 -0.33 0.00 0.00 177.00 175.95 2wvy s PHE 121 N -1.15 0.34 -0.03 6.54 -0.12 -0.89 -1.97 117.98 120.71 2wvy s PHE 121 Ca 0.51 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 2wvy s PHE 121 Cb -0.42 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 41.95 2wvy s PHE 121 CO 0.56 -0.75 -0.24 0.45 -0.05 0.00 0.00 175.22 175.19 2wvy s SER 122 N -2.96 3.25 0.66 1.98 0.15 -1.26 -4.77 113.70 110.74 2wvy s SER 122 Ca 0.17 -0.42 0.37 0.00 0.70 0.00 0.00 55.95 56.77 2wvy s SER 122 Cb 0.03 -0.45 2.04 0.00 -1.71 0.00 0.00 66.02 65.92 2wvy s SER 122 CO 0.00 0.32 2.15 0.45 1.20 0.00 0.00 173.24 177.36 2wvy h HIS 123 N 5.48 0.00 0.00 3.44 3.86 -1.95 -0.90 115.15 125.07 2wvy h HIS 123 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2wvy h HIS 123 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2wvy h HIS 123 CO 0.41 0.00 0.00 1.04 0.86 0.00 0.00 177.93 180.24 2wvy n GLN 124 N -2.97 0.16 -1.16 2.45 6.02 -1.26 -2.60 117.38 118.01 2wvy n GLN 124 Ca -0.02 0.38 -0.04 0.00 -0.01 0.00 0.00 57.00 57.31 2wvy n GLN 124 Cb 0.21 -1.79 0.13 0.00 1.02 0.00 0.00 30.24 29.82 2wvy n GLN 124 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wvy n GLN 125 N -2.08 2.12 -4.83 -1.09 1.13 -0.34 -5.01 117.38 107.28 2wvy n GLN 125 Ca 0.03 -3.50 -0.26 0.00 -1.94 0.00 0.00 57.00 51.32 2wvy n GLN 125 Cb 0.23 -1.72 -0.16 0.00 0.11 0.00 0.00 30.24 28.69 2wvy n GLN 125 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2wvy s GLU 126 N -3.16 1.92 -0.29 -1.09 2.12 -1.07 -1.37 118.70 115.75 2wvy s GLU 126 Ca 0.41 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 2wvy s GLU 126 Cb 0.38 -1.61 0.09 0.00 0.26 0.00 0.00 34.13 33.26 2wvy s GLU 126 CO -0.04 0.19 0.08 0.21 -0.54 0.00 0.00 175.26 175.15 2wvy s LYS 127 N 0.21 0.79 -0.27 4.30 2.47 0.98 -5.00 119.74 123.24 2wvy s LYS 127 Ca -0.08 -1.03 -0.13 0.00 -1.56 0.00 0.00 55.97 53.17 2wvy s LYS 127 Cb -0.13 -2.09 -0.04 0.00 -1.46 0.00 0.00 37.83 34.10 2wvy s LYS 127 CO 0.03 -0.92 0.30 0.00 0.16 0.00 0.00 175.35 174.92 2wvy s ALA 128 N 1.60 3.56 0.13 3.13 0.00 -1.26 -1.34 121.76 127.58 2wvy s ALA 128 Ca 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2wvy s ALA 128 Cb -0.17 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 2wvy s ALA 128 CO -0.21 -0.58 -0.01 0.95 0.00 0.00 0.00 175.76 175.91 2wvy s THR 129 N 1.87 0.48 0.39 0.00 -4.23 -0.05 -4.39 115.64 109.71 2wvy s THR 129 Ca 0.12 -1.93 0.23 0.00 -1.18 0.00 0.00 61.69 58.93 2wvy s THR 129 Cb -0.16 -1.92 0.25 0.00 1.34 0.00 0.00 72.50 72.01 2wvy s THR 129 CO 0.10 -0.64 2.01 -0.65 -0.54 0.00 0.00 174.62 174.90 2wvy h PRO 130 N 2.86 0.00 -0.02 3.99 0.11 -1.87 -3.07 132.00 134.01 2wvy h PRO 130 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2wvy h PRO 130 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2wvy h PRO 130 CO 0.63 0.17 -0.38 2.48 -0.21 0.00 0.00 178.00 180.69 2wvy n TYR 131 N -3.78 0.00 -3.64 0.65 0.18 -1.26 -1.75 117.16 107.56 2wvy n TYR 131 Ca -0.02 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.74 2wvy n TYR 131 Cb 0.27 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.17 2wvy n TYR 131 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2wvy s ASN 132 N -2.23 -0.45 -0.12 9.48 2.47 -1.16 -4.42 114.94 118.50 2wvy s ASN 132 Ca 0.18 0.74 0.01 0.00 0.42 0.00 0.00 52.86 54.20 2wvy s ASN 132 Cb 0.17 1.13 -0.01 0.00 -1.45 0.00 0.00 41.25 41.09 2wvy s ASN 132 CO 0.49 -0.12 -0.15 -0.47 -3.72 0.00 0.00 177.10 173.13 2wvy s TYR 133 N 1.18 2.77 -0.01 0.43 5.04 -0.44 -0.87 117.35 125.45 2wvy s TYR 133 Ca -0.07 -0.66 0.02 0.00 -2.44 0.00 0.00 57.07 53.92 2wvy s TYR 133 Cb -0.04 -1.81 -0.00 0.00 0.35 0.00 0.00 41.96 40.46 2wvy s TYR 133 CO -0.14 -0.21 -0.07 0.45 -1.34 0.00 0.00 175.55 174.24 2wvy s SER 134 N 0.27 0.87 -0.10 4.32 0.15 -0.45 -0.99 113.70 117.78 2wvy s SER 134 Ca -0.11 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.29 2wvy s SER 134 Cb -0.16 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 2wvy s SER 134 CO 0.06 0.08 0.32 0.54 1.20 0.00 0.00 173.24 175.44 2wvy s VAL 135 N -0.09 0.01 -0.21 4.45 0.11 0.17 -0.01 120.40 124.83 2wvy s VAL 135 Ca 0.02 -0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2wvy s VAL 135 Cb -0.04 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2wvy s VAL 135 CO -0.00 -0.06 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.73 2wvy s THR 136 N -0.15 2.93 0.75 5.04 2.01 -0.47 -1.06 115.64 124.68 2wvy s THR 136 Ca -0.03 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2wvy s THR 136 Cb -0.03 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.20 2wvy s THR 136 CO 0.01 0.44 1.08 -0.36 -0.69 0.00 0.00 174.62 175.10 2wvy s PHE 137 N 1.41 2.76 0.54 4.92 0.08 0.71 -4.56 117.98 123.83 2wvy s PHE 137 Ca 0.05 1.51 0.26 0.00 0.12 0.00 0.00 56.93 58.87 2wvy s PHE 137 Cb -0.14 -2.99 1.44 0.00 -0.57 0.00 0.00 43.02 40.75 2wvy s PHE 137 CO -0.06 -1.61 2.01 -0.91 -0.10 0.00 0.00 175.22 174.55 2wvy h ASN 138 N -0.99 0.00 0.00 1.36 4.21 -1.72 0.28 115.58 118.71 2wvy h ASN 138 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 2wvy h ASN 138 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2wvy h ASN 138 CO 0.53 0.00 0.00 -0.46 -1.29 0.00 0.00 177.43 176.21 2wvy n ASN 139 N -4.24 0.00 0.00 5.81 0.23 -1.26 -4.91 115.26 110.89 2wvy n ASN 139 Ca 0.08 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 2wvy n ASN 139 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 2wvy n ASN 139 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wvy n GLY 140 N 0.90 2.23 3.73 4.83 0.00 0.98 -4.81 105.19 113.05 2wvy n GLY 140 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2wvy n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wvy s LEU 141 N 0.00 4.36 -0.06 0.99 0.20 -1.26 -4.61 118.68 118.31 2wvy s LEU 141 Ca 0.00 2.80 0.05 0.00 0.69 0.00 0.00 54.13 57.67 2wvy s LEU 141 Cb 0.00 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.13 2wvy s LEU 141 CO 0.00 -0.87 -0.21 -1.58 -0.29 0.00 0.00 176.35 173.39 2wvy s GLN 142 N 0.36 2.56 0.00 1.98 -0.44 -0.51 -0.21 119.66 123.39 2wvy s GLN 142 Ca 0.67 -0.83 -0.02 0.00 -2.50 0.00 0.00 55.36 52.68 2wvy s GLN 142 Cb -0.46 -2.25 -0.01 0.00 -1.64 0.00 0.00 33.01 28.65 2wvy s GLN 142 CO 0.39 0.45 0.03 -0.08 0.50 0.00 0.00 175.29 176.58 2wvy s THR 143 N -0.32 0.06 0.01 -0.34 -1.32 -0.22 -0.50 115.64 113.00 2wvy s THR 143 Ca 0.02 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 2wvy s THR 143 Cb -0.13 -0.20 -0.01 0.00 -1.51 0.00 0.00 72.50 70.65 2wvy s THR 143 CO 0.02 -0.26 -0.03 -0.94 -2.21 0.00 0.00 174.62 171.21 2wvy s SER 144 N -0.79 0.24 0.04 8.08 1.04 -0.88 -0.66 113.70 120.77 2wvy s SER 144 Ca -0.09 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2wvy s SER 144 Cb -0.05 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 2wvy s SER 144 CO -0.00 -0.17 -0.08 -1.48 0.98 0.00 0.00 173.24 172.49 2wvy s LEU 145 N -0.90 2.26 0.03 2.42 2.34 -0.16 -1.48 118.68 123.19 2wvy s LEU 145 Ca -0.09 -0.56 0.02 0.00 0.06 0.00 0.00 54.13 53.56 2wvy s LEU 145 Cb -0.06 -0.18 -0.02 0.00 -0.56 0.00 0.00 46.19 45.37 2wvy s LEU 145 CO -0.00 -0.20 -0.07 -0.44 -1.06 0.00 0.00 176.35 174.57 2wvy s SER 146 N -1.60 0.80 0.19 1.48 0.01 -0.88 -1.32 113.70 112.37 2wvy s SER 146 Ca -0.09 -0.47 0.09 0.00 1.31 0.00 0.00 55.95 56.79 2wvy s SER 146 Cb -0.10 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2wvy s SER 146 CO 0.00 -0.16 -0.08 0.00 0.41 0.00 0.00 173.24 173.42 2wvy s ALA 147 N -1.15 2.98 0.18 1.44 0.00 -1.26 -1.37 121.76 122.58 2wvy s ALA 147 Ca -0.08 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2wvy s ALA 147 Cb -0.09 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2wvy s ALA 147 CO 0.00 0.46 0.15 0.25 0.00 0.00 0.00 175.76 176.61 2wvy n THR 148 N -0.03 0.00 -0.32 0.00 -2.24 0.22 -4.59 114.28 107.31 2wvy n THR 148 Ca -0.10 -0.72 0.04 0.00 -2.27 0.00 0.00 64.05 61.00 2wvy n THR 148 Cb 0.56 -0.39 0.18 0.00 -2.10 0.00 0.00 70.33 68.58 2wvy n THR 148 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wvy h SER 149 N 0.20 0.82 0.00 3.42 0.02 -1.92 -3.33 113.55 112.76 2wvy h SER 149 Ca -0.11 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2wvy h SER 149 Cb 0.42 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2wvy h SER 149 CO 0.18 0.48 0.00 0.54 -1.14 0.00 0.00 176.83 176.88 2wvy n ARG 150 N -4.66 1.82 -3.28 3.45 1.74 -1.26 -1.54 116.66 112.93 2wvy n ARG 150 Ca 0.15 -0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 2wvy n ARG 150 Cb 0.27 -0.58 -0.04 0.00 -1.02 0.00 0.00 32.46 31.09 2wvy n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wvy n GLY 151 N 0.31 3.60 3.40 -0.13 0.00 -1.25 -2.77 105.19 108.34 2wvy n GLY 151 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 2wvy n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wvy s ALA 152 N -2.62 -1.40 -0.04 4.61 0.00 0.01 -0.61 121.76 121.71 2wvy s ALA 152 Ca 0.13 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.62 2wvy s ALA 152 Cb 0.01 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2wvy s ALA 152 CO 0.09 -0.62 -0.11 0.08 0.00 0.00 0.00 175.76 175.21 2wvy s VAL 153 N -3.08 0.94 0.05 0.00 1.01 -0.47 -1.19 120.40 117.67 2wvy s VAL 153 Ca -0.02 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2wvy s VAL 153 Cb -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2wvy s VAL 153 CO -0.07 0.29 -0.04 -0.36 0.00 0.00 0.00 175.10 174.92 2wvy s PHE 154 N 0.33 2.92 0.04 5.22 0.08 0.32 -2.08 117.98 124.81 2wvy s PHE 154 Ca -0.06 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.03 2wvy s PHE 154 Cb -0.11 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 2wvy s PHE 154 CO 0.01 0.43 -0.22 -1.83 -0.10 0.00 0.00 175.22 173.51 2wvy s GLU 155 N -1.88 1.95 -0.05 0.44 -1.05 -0.55 -1.34 118.70 116.22 2wvy s GLU 155 Ca 0.21 -1.03 0.01 0.00 -0.15 0.00 0.00 54.97 54.00 2wvy s GLU 155 Cb -0.11 -2.09 0.02 0.00 -0.44 0.00 0.00 34.13 31.51 2wvy s GLU 155 CO 0.13 0.53 -0.04 0.08 0.95 0.00 0.00 175.26 176.91 2wvy s VAL 156 N -0.85 0.52 -0.37 1.83 1.01 0.87 -2.07 120.40 121.33 2wvy s VAL 156 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 2wvy s VAL 156 Cb -0.10 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.76 2wvy s VAL 156 CO 0.03 0.23 0.18 -0.44 0.00 0.00 0.00 175.10 175.10 2wvy s SER 157 N 1.10 5.51 0.28 3.32 0.01 0.34 -1.23 113.70 123.02 2wvy s SER 157 Ca -0.08 -1.23 -0.25 0.00 1.31 0.00 0.00 55.95 55.69 2wvy s SER 157 Cb -0.14 -1.94 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 2wvy s SER 157 CO -0.01 -0.41 0.89 -0.36 0.41 0.00 0.00 173.24 173.77 2wvy s PHE 158 N 1.44 3.75 0.27 2.43 0.08 -1.26 -1.43 117.98 123.25 2wvy s PHE 158 Ca 0.01 1.72 -0.30 0.00 0.12 0.00 0.00 56.93 58.48 2wvy s PHE 158 Cb -0.20 -2.86 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 2wvy s PHE 158 CO 0.03 0.29 1.47 -2.14 -0.10 0.00 0.00 175.22 174.78 2wvy s PRO 159 N -1.84 4.23 0.45 0.24 0.02 -1.26 -4.96 135.00 131.88 2wvy s PRO 159 Ca 0.46 2.37 -0.25 0.00 0.02 0.00 0.00 61.00 63.61 2wvy s PRO 159 Cb -0.20 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 2wvy s PRO 159 CO 0.25 -0.46 1.39 -1.83 -0.33 0.00 0.00 177.00 176.01 2wvy s GLU 160 N -0.59 3.70 -0.99 5.54 1.03 -1.26 -3.21 118.70 122.91 2wvy s GLU 160 Ca 0.59 2.32 0.00 0.00 0.03 0.00 0.00 54.97 57.92 2wvy s GLU 160 Cb -0.43 -2.63 0.00 0.00 -0.80 0.00 0.00 34.13 30.27 2wvy s GLU 160 CO 0.46 -0.77 0.00 0.36 -1.33 0.00 0.00 175.26 173.98 2wvy n LYS 161 N -0.21 -0.72 -4.27 -4.83 0.00 -1.26 -5.01 118.16 101.87 2wvy n LYS 161 Ca 0.05 0.75 -0.22 0.00 -0.00 0.00 0.00 58.31 58.89 2wvy n LYS 161 Cb 0.43 -4.70 -0.12 0.00 -0.00 0.00 0.00 35.03 30.63 2wvy n LYS 161 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2wvy s GLU 162 N -3.29 1.08 0.45 -1.58 0.41 -1.20 -5.06 118.70 109.51 2wvy s GLU 162 Ca 0.00 -1.17 -0.25 0.00 -0.41 0.00 0.00 54.97 53.14 2wvy s GLU 162 Cb 0.00 -1.23 -0.09 0.00 -1.78 0.00 0.00 34.13 31.03 2wvy s GLU 162 CO 0.00 0.27 1.37 -0.25 -0.49 0.00 0.00 175.26 176.16 2wvy n ASP 163 N 0.94 2.98 -4.32 -0.19 8.00 -1.26 -4.74 116.55 117.95 2wvy n ASP 163 Ca -0.18 1.10 -0.34 0.00 0.71 0.00 0.00 54.79 56.08 2wvy n ASP 163 Cb 0.54 -1.56 -0.14 0.00 -0.02 0.00 0.00 41.12 39.94 2wvy n ASP 163 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wvy s GLN 164 N -2.39 3.36 0.16 -1.24 -0.21 -1.26 -1.31 119.66 116.76 2wvy s GLN 164 Ca 0.62 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 55.40 2wvy s GLN 164 Cb -0.47 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 2wvy s GLN 164 CO 0.57 -0.02 -0.13 0.71 -2.12 0.00 0.00 175.29 174.30 2wvy s TYR 165 N 0.98 1.44 -0.05 0.91 2.02 -0.08 -1.59 117.35 120.99 2wvy s TYR 165 Ca -0.01 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 2wvy s TYR 165 Cb -0.15 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 2wvy s TYR 165 CO -0.01 0.19 -0.15 0.08 -1.57 0.00 0.00 175.55 174.09 2wvy s VAL 166 N -2.83 1.29 -0.15 0.71 1.01 0.05 -0.87 120.40 119.60 2wvy s VAL 166 Ca 0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2wvy s VAL 166 Cb -0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2wvy s VAL 166 CO 0.03 0.38 -0.02 -0.69 0.00 0.00 0.00 175.10 174.80 2wvy s VAL 167 N 0.19 4.03 -0.21 2.92 1.01 0.22 -0.94 120.40 127.63 2wvy s VAL 167 Ca -0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2wvy s VAL 167 Cb -0.12 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2wvy s VAL 167 CO 0.02 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.98 2wvy s VAL 168 N 0.28 4.41 -0.24 2.92 1.01 0.35 -0.50 120.40 128.62 2wvy s VAL 168 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2wvy s VAL 168 Cb -0.14 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2wvy s VAL 168 CO 0.02 0.40 -0.08 -0.62 0.00 0.00 0.00 175.10 174.83 2wvy s ASP 169 N 1.01 4.18 -0.04 3.32 -1.08 0.25 -0.68 116.67 123.62 2wvy s ASP 169 Ca 0.03 -0.79 0.20 0.00 -0.52 0.00 0.00 52.55 51.48 2wvy s ASP 169 Cb -0.14 -1.65 0.64 0.00 -1.46 0.00 0.00 42.92 40.31 2wvy s ASP 169 CO 0.03 -0.10 1.54 0.00 0.52 0.00 0.00 175.17 177.16 2wvy n ALA 170 N 4.68 2.66 -0.68 3.66 0.00 -0.32 0.31 120.51 130.81 2wvy n ALA 170 Ca -0.17 -1.33 0.09 0.00 0.00 0.00 0.00 53.44 52.03 2wvy n ALA 170 Cb 0.48 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2wvy n ALA 170 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wvy n TYR 171 N 1.36 -1.72 -2.93 0.00 4.01 -1.25 -4.62 117.16 112.01 2wvy n TYR 171 Ca 0.24 0.88 -0.16 0.00 -0.16 0.00 0.00 57.90 58.70 2wvy n TYR 171 Cb 0.69 -1.57 0.06 0.00 -0.31 0.00 0.00 39.34 38.22 2wvy n TYR 171 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wvy n ASN 172 N -2.88 1.53 0.00 7.72 6.94 -1.26 -3.41 115.26 123.91 2wvy n ASN 172 Ca -0.01 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.41 2wvy n ASN 172 Cb 0.31 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2wvy n ASN 172 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wvy n GLY 173 N -0.65 0.89 0.33 4.83 0.00 -0.63 -3.32 105.19 106.63 2wvy n GLY 173 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wvy n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 174 N -2.21 0.42 3.70 -0.02 0.00 0.16 -4.49 105.19 102.75 2wvy n GLY 174 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 2wvy n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wvy s SER 175 N -0.34 4.30 0.03 1.61 1.04 -0.16 -4.04 113.70 116.13 2wvy s SER 175 Ca 0.00 -1.11 -0.09 0.00 0.48 0.00 0.00 55.95 55.23 2wvy s SER 175 Cb 0.00 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2wvy s SER 175 CO 0.00 -0.48 0.19 -0.94 0.98 0.00 0.00 173.24 172.99 2wvy s SER 176 N -3.84 0.03 -0.06 7.02 1.04 -0.70 -2.18 113.70 115.02 2wvy s SER 176 Ca 0.39 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 2wvy s SER 176 Cb 0.04 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2wvy s SER 176 CO 0.21 -0.53 0.14 -0.63 0.98 0.00 0.00 173.24 173.42 2wvy s ILE 177 N -2.39 -0.01 -0.09 -1.02 1.01 -0.56 -0.87 121.20 117.27 2wvy s ILE 177 Ca -0.06 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2wvy s ILE 177 Cb -0.02 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.25 2wvy s ILE 177 CO -0.03 0.02 -0.17 0.42 0.00 0.00 0.00 174.94 175.18 2wvy s THR 178 N 0.33 1.52 -0.17 2.92 -4.23 0.11 -2.03 115.64 114.09 2wvy s THR 178 Ca -0.02 -0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.72 2wvy s THR 178 Cb -0.03 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 2wvy s THR 178 CO -0.01 0.44 0.09 -0.63 -0.54 0.00 0.00 174.62 173.97 2wvy s ILE 179 N 0.64 5.08 -0.69 2.99 1.01 0.14 -1.14 121.20 129.24 2wvy s ILE 179 Ca -0.14 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2wvy s ILE 179 Cb -0.16 -3.27 0.17 0.00 0.01 0.00 0.00 42.46 39.20 2wvy s ILE 179 CO 0.04 0.50 0.48 -1.61 0.00 0.00 0.00 174.94 174.35 2wvy s GLU 180 N -0.02 2.48 0.19 2.79 2.02 -0.12 -4.80 118.70 121.24 2wvy s GLU 180 Ca 0.08 -3.14 -0.12 0.00 0.02 0.00 0.00 54.97 51.81 2wvy s GLU 180 Cb -0.12 -3.49 0.11 0.00 0.10 0.00 0.00 34.13 30.73 2wvy s GLU 180 CO 0.00 -1.24 1.84 -1.00 0.02 0.00 0.00 175.26 174.89 2wvy h PRO 181 N 5.81 0.85 -0.35 0.39 0.13 -1.96 -0.83 132.00 136.04 2wvy h PRO 181 Ca 0.09 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2wvy h PRO 181 Cb 0.80 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 2wvy h PRO 181 CO 0.73 0.59 0.16 1.05 -0.23 0.00 0.00 178.00 180.31 2wvy h GLU 182 N 0.86 0.48 -0.01 0.86 9.09 -1.94 -0.68 114.58 123.26 2wvy h GLU 182 Ca 0.23 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.59 2wvy h GLU 182 Cb -0.06 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 26.95 2wvy h GLU 182 CO -0.05 0.39 -0.21 1.63 0.05 0.00 0.00 179.01 180.82 2wvy n LYS 183 N -4.42 0.79 -3.61 1.06 5.02 -0.69 -4.95 118.16 111.36 2wvy n LYS 183 Ca 0.02 -0.41 -0.25 0.00 -2.02 0.00 0.00 58.31 55.65 2wvy n LYS 183 Cb 0.12 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 2wvy n LYS 183 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wvy n ARG 184 N -0.74 -7.29 -4.42 1.97 1.74 -0.26 -4.84 116.66 102.82 2wvy n ARG 184 Ca 0.13 0.79 -0.29 0.00 -0.77 0.00 0.00 57.85 57.71 2wvy n ARG 184 Cb 0.33 -5.81 -0.13 0.00 -1.02 0.00 0.00 32.46 25.84 2wvy n ARG 184 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wvy s LEU 185 N -7.26 2.45 -0.04 0.55 1.43 -0.84 -1.16 118.68 113.81 2wvy s LEU 185 Ca 0.58 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2wvy s LEU 185 Cb -0.26 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2wvy s LEU 185 CO 0.72 0.19 -0.13 -0.69 0.23 0.00 0.00 176.35 176.66 2wvy s VAL 186 N -1.06 1.14 0.20 -1.59 1.01 -0.47 -0.94 120.40 118.69 2wvy s VAL 186 Ca 0.15 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2wvy s VAL 186 Cb -0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2wvy s VAL 186 CO 0.07 0.34 -0.15 -0.54 0.00 0.00 0.00 175.10 174.82 2wvy s LYS 187 N 0.24 1.33 0.02 2.72 1.02 -0.29 -0.81 119.74 123.96 2wvy s LYS 187 Ca -0.06 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.07 2wvy s LYS 187 Cb -0.11 -1.17 0.11 0.00 -0.52 0.00 0.00 37.83 36.14 2wvy s LYS 187 CO 0.02 0.20 1.23 0.20 -0.92 0.00 0.00 175.35 176.08 2wvy s GLY 188 N -3.23 -0.32 -0.03 -3.33 0.00 -0.88 0.08 107.32 99.61 2wvy s GLY 188 Ca 0.22 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.41 2wvy s GLY 188 CO 0.07 1.09 -0.04 0.00 0.00 0.00 0.00 173.10 174.22 2wvy s ALA 189 N -2.45 0.54 -0.09 3.20 0.00 -0.05 -1.72 121.76 121.19 2wvy s ALA 189 Ca 0.17 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2wvy s ALA 189 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2wvy s ALA 189 CO -0.02 0.01 -0.21 -0.08 0.00 0.00 0.00 175.76 175.46 2wvy s THR 190 N 0.70 2.39 -0.12 0.00 -1.32 -0.48 -1.73 115.64 115.09 2wvy s THR 190 Ca -0.09 -0.92 0.01 0.00 -1.21 0.00 0.00 61.69 59.49 2wvy s THR 190 Cb -0.12 -1.93 0.01 0.00 -1.51 0.00 0.00 72.50 68.96 2wvy s THR 190 CO -0.00 0.56 0.62 0.54 -2.21 0.00 0.00 174.62 174.12 2wvy n ARG 191 N 3.24 -0.17 -1.58 7.08 1.74 -1.26 -1.20 116.66 124.51 2wvy n ARG 191 Ca -0.18 -0.74 -0.47 0.00 -0.77 0.00 0.00 57.85 55.69 2wvy n ARG 191 Cb 0.53 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 2wvy n ARG 191 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2wvy n TYR 192 N -0.02 1.26 -3.81 -1.55 9.36 -1.21 -4.80 117.16 116.38 2wvy n TYR 192 Ca 0.01 0.69 -0.07 0.00 3.32 0.00 0.00 57.90 61.84 2wvy n TYR 192 Cb 0.07 -2.27 -0.02 0.00 -0.63 0.00 0.00 39.34 36.49 2wvy n TYR 192 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wvy s ASN 193 N -0.19 -0.28 -0.26 2.98 2.20 -1.26 -1.54 114.94 116.58 2wvy s ASN 193 Ca 0.68 -0.54 0.09 0.00 -0.94 0.00 0.00 52.86 52.16 2wvy s ASN 193 Cb -0.80 0.70 0.45 0.00 -2.00 0.00 0.00 41.25 39.60 2wvy s ASN 193 CO 0.54 -1.28 1.30 0.59 -2.94 0.00 0.00 177.10 175.32 2wvy n ASN 194 N -0.45 2.76 0.00 3.54 3.02 -1.20 -4.97 115.26 117.96 2wvy n ASN 194 Ca -0.05 -3.84 0.00 0.00 -0.03 0.00 0.00 54.58 50.65 2wvy n ASN 194 Cb 0.60 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2wvy n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvy n GLY 195 N -1.03 -3.61 2.36 7.41 0.00 -1.26 -5.02 105.19 104.03 2wvy n GLY 195 Ca 0.29 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 2wvy n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 196 N -0.03 0.60 3.27 -0.02 0.00 -1.26 -4.63 105.19 103.11 2wvy n GLY 196 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 2wvy n GLY 196 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wvy s VAL 197 N -2.66 1.70 1.10 1.61 -7.23 -1.26 -0.06 120.40 113.59 2wvy s VAL 197 Ca 0.00 -1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 2wvy s VAL 197 Cb 0.00 -1.51 0.24 0.00 0.56 0.00 0.00 36.38 35.67 2wvy s VAL 197 CO 0.00 0.09 1.09 -2.84 -0.31 0.00 0.00 175.10 173.14 2wvy s PRO 198 N -1.50 -0.36 0.40 4.82 0.02 -1.26 -4.94 135.00 132.17 2wvy s PRO 198 Ca 0.07 0.29 0.16 0.00 0.02 0.00 0.00 61.00 61.54 2wvy s PRO 198 Cb -0.09 -1.66 0.83 0.00 0.02 0.00 0.00 34.50 33.59 2wvy s PRO 198 CO 0.03 -3.21 1.85 -0.44 -0.33 0.00 0.00 177.00 174.89 2wvy h ASP 199 N -2.23 0.00 -0.43 2.53 3.32 -1.98 -2.88 116.42 114.74 2wvy h ASP 199 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2wvy h ASP 199 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2wvy h ASP 199 CO 0.49 0.33 0.00 -0.46 -1.72 0.00 0.00 179.24 177.88 2wvy n ASN 200 N -3.90 3.31 -4.78 6.45 6.94 -1.26 -4.98 115.26 117.04 2wvy n ASN 200 Ca -0.02 -2.29 -0.41 0.00 -0.02 0.00 0.00 54.58 51.84 2wvy n ASN 200 Cb 0.40 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2wvy n ASN 200 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2wvy s PHE 201 N -1.74 2.55 -0.18 -2.53 5.36 -1.09 -5.01 117.98 115.34 2wvy s PHE 201 Ca 0.34 1.16 -0.29 0.00 -0.96 0.00 0.00 56.93 57.18 2wvy s PHE 201 Cb 0.22 -4.03 0.13 0.00 -0.34 0.00 0.00 43.02 39.00 2wvy s PHE 201 CO 0.16 -3.05 1.02 0.00 -1.46 0.00 0.00 175.22 171.90 2wvy s ALA 202 N -1.13 -1.95 -0.24 11.12 0.00 -1.26 -4.81 121.76 123.50 2wvy s ALA 202 Ca 0.54 1.63 -0.09 0.00 0.00 0.00 0.00 51.96 54.04 2wvy s ALA 202 Cb -0.47 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2wvy s ALA 202 CO 0.63 -0.29 0.13 1.21 0.00 0.00 0.00 175.76 177.44 2wvy s ASN 203 N -0.95 5.82 -0.25 0.00 2.47 -0.34 -4.59 114.94 117.09 2wvy s ASN 203 Ca -0.01 0.02 -0.11 0.00 0.42 0.00 0.00 52.86 53.18 2wvy s ASN 203 Cb -0.01 -2.05 -0.05 0.00 -1.45 0.00 0.00 41.25 37.69 2wvy s ASN 203 CO 0.00 0.04 0.18 -0.31 -3.72 0.00 0.00 177.10 173.29 2wvy s TYR 204 N 1.19 3.29 0.25 0.43 2.02 0.51 -1.38 117.35 123.66 2wvy s TYR 204 Ca 0.06 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 57.04 2wvy s TYR 204 Cb -0.14 -2.32 -0.05 0.00 -0.40 0.00 0.00 41.96 39.05 2wvy s TYR 204 CO 0.05 -0.01 -0.09 -0.59 -1.57 0.00 0.00 175.55 173.33 2wvy s PHE 205 N 1.30 1.85 0.04 2.71 -0.12 -0.70 -0.21 117.98 122.86 2wvy s PHE 205 Ca 0.08 -0.65 -0.16 0.00 -0.05 0.00 0.00 56.93 56.15 2wvy s PHE 205 Cb -0.14 -0.97 0.03 0.00 -0.63 0.00 0.00 43.02 41.30 2wvy s PHE 205 CO 0.07 0.31 0.36 0.00 -0.05 0.00 0.00 175.22 175.91 2wvy s MET 206 N -3.69 0.87 0.04 1.99 0.23 -0.50 -2.06 119.30 116.17 2wvy s MET 206 Ca 0.27 -0.42 -0.14 0.00 -1.03 0.00 0.00 55.69 54.36 2wvy s MET 206 Cb 0.02 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.72 2wvy s MET 206 CO 0.10 -0.29 0.31 0.00 -2.03 0.00 0.00 175.02 173.11 2wvy s MET 207 N -2.50 0.81 0.00 3.16 0.23 0.01 -1.65 119.30 119.36 2wvy s MET 207 Ca -0.05 -0.47 0.03 0.00 -1.03 0.00 0.00 55.69 54.17 2wvy s MET 207 Cb -0.01 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 2wvy s MET 207 CO -0.03 -0.26 -0.08 -2.00 -2.03 0.00 0.00 175.02 170.62 2wvy s GLU 208 N -2.45 0.64 0.08 3.16 2.12 0.96 -1.36 118.70 121.85 2wvy s GLU 208 Ca -0.06 -0.36 0.05 0.00 0.36 0.00 0.00 54.97 54.97 2wvy s GLU 208 Cb -0.01 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.73 2wvy s GLU 208 CO -0.03 0.16 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.77 2wvy s PHE 209 N -0.33 2.94 0.07 5.30 0.08 -0.31 -0.87 117.98 124.85 2wvy s PHE 209 Ca 0.02 -0.05 0.16 0.00 0.12 0.00 0.00 56.93 57.19 2wvy s PHE 209 Cb -0.04 -1.53 0.41 0.00 -0.57 0.00 0.00 43.02 41.29 2wvy s PHE 209 CO -0.00 0.46 1.60 0.66 -0.10 0.00 0.00 175.22 177.84 2wvy h SER 210 N 3.65 0.00 -2.27 1.36 4.64 -1.31 -3.47 113.55 116.15 2wvy h SER 210 Ca -0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 2wvy h SER 210 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 2wvy h SER 210 CO 0.57 0.47 -0.74 -1.00 -0.87 0.00 0.00 176.83 175.26 2wvy s HIS 211 N -3.34 2.36 0.41 4.77 3.76 -1.26 -4.97 115.29 117.02 2wvy s HIS 211 Ca 0.01 -0.31 -0.27 0.00 -0.15 0.00 0.00 55.06 54.34 2wvy s HIS 211 Cb 0.10 -1.04 -0.10 0.00 1.11 0.00 0.00 32.58 32.65 2wvy s HIS 211 CO 0.72 0.69 1.47 -2.14 -0.85 0.00 0.00 174.74 174.63 2wvy s PRO 212 N -3.48 3.93 -0.28 8.40 0.02 -1.26 -4.95 135.00 137.37 2wvy s PRO 212 Ca 0.30 2.53 -0.25 0.00 0.02 0.00 0.00 61.00 63.59 2wvy s PRO 212 Cb -0.05 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.62 2wvy s PRO 212 CO 0.16 -0.66 0.86 0.08 -0.33 0.00 0.00 177.00 177.11 2wvy s VAL 213 N -1.15 4.76 0.03 3.83 1.01 -1.26 -4.43 120.40 123.18 2wvy s VAL 213 Ca 0.56 1.45 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 2wvy s VAL 213 Cb -0.46 -4.19 -0.29 0.00 0.00 0.00 0.00 36.38 31.45 2wvy s VAL 213 CO 0.61 -0.22 0.95 0.40 0.00 0.00 0.00 175.10 176.84 2wvy h ILE 214 N 5.55 1.26 -3.40 2.22 1.08 -0.65 -3.48 117.51 120.09 2wvy h ILE 214 Ca -0.23 -2.86 -0.03 0.00 -0.39 0.00 0.00 64.86 61.35 2wvy h ILE 214 Cb 1.09 2.84 -0.10 0.00 -3.07 0.00 0.00 36.82 37.58 2wvy h ILE 214 CO 0.91 0.84 -0.02 -0.70 -0.69 0.00 0.00 178.15 178.49 2wvy s GLU 215 N -2.63 1.43 0.14 2.37 2.56 -1.22 -4.99 118.70 116.37 2wvy s GLU 215 Ca -0.08 -0.99 -0.24 0.00 0.00 0.00 0.00 54.97 53.67 2wvy s GLU 215 Cb 0.07 0.51 0.07 0.00 2.00 0.00 0.00 34.13 36.77 2wvy s GLU 215 CO 0.87 -0.61 0.72 1.52 -0.56 0.00 0.00 175.26 177.20 2wvy s TYR 216 N -3.92 -0.40 0.10 5.30 -0.85 -1.26 -0.64 117.35 115.68 2wvy s TYR 216 Ca 0.13 0.16 -0.26 0.00 -0.52 0.00 0.00 57.07 56.57 2wvy s TYR 216 Cb -0.01 0.59 0.08 0.00 0.38 0.00 0.00 41.96 43.00 2wvy s TYR 216 CO 0.01 -0.85 0.95 0.20 -1.52 0.00 0.00 175.55 174.34 2wvy s GLY 217 N -2.74 -0.31 0.29 5.49 0.00 -0.74 0.59 107.32 109.91 2wvy s GLY 217 Ca 0.05 0.40 0.11 0.00 0.00 0.00 0.00 44.72 45.28 2wvy s GLY 217 CO -0.07 0.10 -0.17 -0.51 0.00 0.00 0.00 173.10 172.45 2wvy s THR 218 N -3.20 2.46 -0.09 0.90 -4.23 -0.29 -1.32 115.64 109.87 2wvy s THR 218 Ca 0.10 -2.35 -0.05 0.00 -1.18 0.00 0.00 61.69 58.22 2wvy s THR 218 Cb -0.01 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.47 2wvy s THR 218 CO -0.01 -0.35 0.20 -0.47 -0.54 0.00 0.00 174.62 173.45 2wvy s TYR 219 N -2.53 -0.25 -0.24 3.99 5.04 -0.14 -0.20 117.35 123.02 2wvy s TYR 219 Ca 0.31 0.64 0.13 0.00 -2.44 0.00 0.00 57.07 55.70 2wvy s TYR 219 Cb -0.03 0.01 0.52 0.00 0.35 0.00 0.00 41.96 42.80 2wvy s TYR 219 CO 0.16 -0.19 1.45 0.27 -1.34 0.00 0.00 175.55 175.90 2wvy n ASN 220 N 3.98 3.21 0.00 4.32 6.94 -1.07 -1.67 115.26 130.98 2wvy n ASN 220 Ca -0.23 -3.37 0.00 0.00 -0.02 0.00 0.00 54.58 50.96 2wvy n ASN 220 Cb 0.54 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2wvy n ASN 220 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wvy n GLY 221 N -0.83 1.59 1.82 4.83 0.00 -1.11 -4.53 105.19 106.96 2wvy n GLY 221 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2wvy n GLY 221 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wvy n ASP 222 N 0.00 0.01 -4.31 1.61 2.03 -1.26 -5.08 116.55 109.55 2wvy n ASP 222 Ca 0.00 0.09 -0.31 0.00 0.52 0.00 0.00 54.79 55.09 2wvy n ASP 222 Cb 0.00 0.06 -0.16 0.00 -0.72 0.00 0.00 41.12 40.30 2wvy n ASP 222 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2wvy s THR 223 N -2.00 2.15 -0.27 5.18 2.01 -1.26 -5.10 115.64 116.34 2wvy s THR 223 Ca 0.00 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 60.80 2wvy s THR 223 Cb 0.00 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2wvy s THR 223 CO 0.00 0.58 0.33 -0.22 -0.69 0.00 0.00 174.62 174.62 2wvy s LEU 224 N -0.49 4.03 -0.21 4.42 2.96 -1.26 -2.58 118.68 125.55 2wvy s LEU 224 Ca 0.06 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2wvy s LEU 224 Cb -0.11 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 2wvy s LEU 224 CO 0.00 -0.15 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.08 2wvy s LEU 225 N 1.98 2.92 0.25 -0.68 1.43 0.72 -4.99 118.68 120.31 2wvy s LEU 225 Ca 0.13 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 2wvy s LEU 225 Cb -0.16 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.23 2wvy s LEU 225 CO 0.10 0.00 0.83 -1.00 0.23 0.00 0.00 176.35 176.51 2wvy s HIS 226 N 1.36 3.75 -1.35 0.29 3.76 -1.26 -1.14 115.29 120.69 2wvy s HIS 226 Ca 0.04 1.63 -0.09 0.00 -0.15 0.00 0.00 55.06 56.49 2wvy s HIS 226 Cb -0.14 -2.79 0.01 0.00 1.11 0.00 0.00 32.58 30.77 2wvy s HIS 226 CO -0.02 0.34 1.15 1.58 -0.85 0.00 0.00 174.74 176.94 2wvy n HIS 227 N 0.91 -2.83 -4.29 1.40 -0.00 0.20 -4.95 115.22 105.66 2wvy n HIS 227 Ca -0.01 0.99 -0.18 0.00 -0.00 0.00 0.00 57.72 58.51 2wvy n HIS 227 Cb 0.50 -4.97 -0.11 0.00 -0.00 0.00 0.00 29.99 25.41 2wvy n HIS 227 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2wvy s GLN 228 N -6.28 1.17 -0.00 1.57 -0.21 -1.25 -5.01 119.66 109.65 2wvy s GLN 228 Ca 0.57 -1.42 0.04 0.00 0.02 0.00 0.00 55.36 54.57 2wvy s GLN 228 Cb -0.25 -1.00 -0.06 0.00 1.00 0.00 0.00 33.01 32.70 2wvy s GLN 228 CO 0.71 0.18 0.10 0.25 -2.12 0.00 0.00 175.29 174.40 2wvy n THR 229 N 0.07 0.00 -4.52 -0.19 -2.24 -1.26 -3.94 114.28 102.20 2wvy n THR 229 Ca -0.12 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 2wvy n THR 229 Cb 0.59 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 2wvy n THR 229 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wvy s ASP 230 N -2.25 1.62 -0.02 3.42 1.11 -1.26 0.26 116.67 119.56 2wvy s ASP 230 Ca -0.01 -0.27 -0.11 0.00 0.18 0.00 0.00 52.55 52.34 2wvy s ASP 230 Cb 0.03 -0.76 0.02 0.00 1.07 0.00 0.00 42.92 43.27 2wvy s ASP 230 CO 0.16 0.02 0.24 0.54 1.18 0.00 0.00 175.17 177.31 2wvy s VAL 231 N 0.69 0.06 -0.21 -1.27 0.11 -0.86 -5.02 120.40 113.90 2wvy s VAL 231 Ca -0.14 -0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 2wvy s VAL 231 Cb -0.16 -0.50 0.07 0.00 -1.53 0.00 0.00 36.38 34.26 2wvy s VAL 231 CO 0.03 -0.25 0.51 0.00 -3.33 0.00 0.00 175.10 172.05 2wvy s ALA 232 N -1.07 -1.35 0.10 1.54 0.00 -1.26 -1.50 121.76 118.22 2wvy s ALA 232 Ca -0.11 1.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.53 2wvy s ALA 232 Cb -0.05 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.97 2wvy s ALA 232 CO 0.03 -0.37 0.72 0.00 0.00 0.00 0.00 175.76 176.13 2wvy n ALA 233 N 4.43 -1.91 -0.14 0.00 0.00 -0.93 -5.03 120.51 116.95 2wvy n ALA 233 Ca -0.21 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.50 2wvy n ALA 233 Cb 0.56 0.34 0.02 0.00 0.00 0.00 0.00 19.45 20.37 2wvy n ALA 233 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2wvy h ASP 234 N 1.33 0.39 -3.35 0.00 3.58 -1.85 -0.42 116.42 116.10 2wvy h ASP 234 Ca -0.18 0.01 -0.55 0.00 0.42 0.00 0.00 57.03 56.73 2wvy h ASP 234 Cb 0.81 -0.07 -0.34 0.00 1.72 0.00 0.00 39.33 41.45 2wvy h ASP 234 CO 0.24 0.28 -0.82 -0.47 -2.88 0.00 0.00 179.24 175.58 2wvy s TYR 235 N -6.15 1.69 0.05 0.28 5.04 -1.26 -0.67 117.35 116.33 2wvy s TYR 235 Ca -0.13 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 53.83 2wvy s TYR 235 Cb 0.12 -1.23 -0.02 0.00 0.35 0.00 0.00 41.96 41.17 2wvy s TYR 235 CO 0.73 -0.37 -0.11 0.95 -1.34 0.00 0.00 175.55 175.41 2wvy s THR 236 N 0.83 0.83 0.12 4.34 -4.23 -1.22 -2.74 115.64 113.57 2wvy s THR 236 Ca -0.11 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2wvy s THR 236 Cb -0.15 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 2wvy s THR 236 CO 0.02 -0.23 0.01 0.00 -0.54 0.00 0.00 174.62 173.88 2wvy s ALA 238 N -3.87 -0.08 0.08 0.00 0.00 0.14 -0.96 121.76 117.06 2wvy s ALA 238 Ca 0.18 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.59 2wvy s ALA 238 Cb 0.07 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2wvy s ALA 238 CO -0.01 -0.37 -0.13 1.52 0.00 0.00 0.00 175.76 176.76 2wvy s TYR 239 N -3.04 1.16 0.01 0.00 -0.85 -0.43 -0.50 117.35 113.69 2wvy s TYR 239 Ca -0.01 -0.50 0.05 0.00 -0.52 0.00 0.00 57.07 56.09 2wvy s TYR 239 Cb 0.01 -0.65 -0.02 0.00 0.38 0.00 0.00 41.96 41.69 2wvy s TYR 239 CO -0.07 0.04 -0.15 -0.51 -1.52 0.00 0.00 175.55 173.35 2wvy s LEU 240 N -1.90 2.08 -0.05 -3.49 1.02 -0.11 -1.79 118.68 114.45 2wvy s LEU 240 Ca -0.01 -0.34 0.04 0.00 0.02 0.00 0.00 54.13 53.84 2wvy s LEU 240 Cb -0.08 -0.73 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 2wvy s LEU 240 CO 0.02 0.14 -0.16 -0.75 0.02 0.00 0.00 176.35 175.61 2wvy s LYS 241 N -0.65 2.49 0.34 1.70 2.20 0.18 -0.77 119.74 125.23 2wvy s LYS 241 Ca 0.05 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 2wvy s LYS 241 Cb -0.07 -2.33 -0.07 0.00 -1.51 0.00 0.00 37.83 33.85 2wvy s LYS 241 CO 0.00 0.58 0.02 -0.06 -0.36 0.00 0.00 175.35 175.53 2wvy s PHE 242 N -0.64 2.15 -0.39 4.03 0.08 -0.62 0.13 117.98 122.73 2wvy s PHE 242 Ca 0.10 -0.81 0.11 0.00 0.12 0.00 0.00 56.93 56.45 2wvy s PHE 242 Cb -0.11 -1.41 0.33 0.00 -0.57 0.00 0.00 43.02 41.26 2wvy s PHE 242 CO 0.01 0.21 0.71 -3.47 -0.10 0.00 0.00 175.22 172.58 2wvy n ASP 243 N -0.76 0.94 -4.71 1.36 2.03 -1.26 -4.27 116.55 109.88 2wvy n ASP 243 Ca -0.04 -2.99 -0.42 0.00 0.52 0.00 0.00 54.79 51.86 2wvy n ASP 243 Cb 0.66 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 2wvy n ASP 243 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wvy s VAL 244 N -2.32 3.04 0.68 5.18 1.01 -1.26 -4.97 120.40 121.75 2wvy s VAL 244 Ca 0.40 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 2wvy s VAL 244 Cb 0.31 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2wvy s VAL 244 CO -0.09 0.04 1.14 -2.84 0.00 0.00 0.00 175.10 173.35 2wvy s PRO 245 N 1.53 2.61 0.25 2.72 0.02 -1.26 -4.90 135.00 135.97 2wvy s PRO 245 Ca 0.68 1.53 -0.31 0.00 0.02 0.00 0.00 61.00 62.93 2wvy s PRO 245 Cb -0.39 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.08 2wvy s PRO 245 CO 0.31 -1.43 1.36 0.00 -0.33 0.00 0.00 177.00 176.91 2wvy n ALA 246 N -2.45 0.99 0.00 -1.55 0.00 -1.26 -1.29 120.51 114.95 2wvy n ALA 246 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2wvy n ALA 246 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2wvy n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wvy n GLY 247 N 1.90 1.72 3.85 0.00 0.00 -1.26 -5.04 105.19 106.36 2wvy n GLY 247 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2wvy n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wvy s GLU 248 N -0.45 2.73 0.08 1.61 2.02 -0.41 -5.13 118.70 119.15 2wvy s GLU 248 Ca 0.00 -1.29 0.07 0.00 0.02 0.00 0.00 54.97 53.77 2wvy s GLU 248 Cb 0.00 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 2wvy s GLU 248 CO 0.00 0.10 -0.19 0.15 0.02 0.00 0.00 175.26 175.34 2wvy s LYS 249 N -3.99 1.09 -0.06 1.61 1.02 -1.26 -4.75 119.74 113.39 2wvy s LYS 249 Ca 0.41 -1.03 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 2wvy s LYS 249 Cb -0.06 -1.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.97 2wvy s LYS 249 CO 0.27 0.30 0.75 -1.17 -0.92 0.00 0.00 175.35 174.57 2wvy s LEU 250 N -1.65 4.32 -0.12 3.17 2.96 -0.37 -4.88 118.68 122.11 2wvy s LEU 250 Ca 0.04 1.26 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 2wvy s LEU 250 Cb -0.10 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 2wvy s LEU 250 CO 0.03 -0.15 0.03 -0.89 -1.32 0.00 0.00 176.35 174.05 2wvy s THR 251 N 0.91 4.56 -0.12 3.68 2.01 -1.26 -0.09 115.64 125.32 2wvy s THR 251 Ca 0.40 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2wvy s THR 251 Cb -0.18 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.37 2wvy s THR 251 CO 0.19 0.57 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.87 2wvy s ILE 252 N -0.51 1.81 -0.04 1.82 1.01 -0.45 -0.80 121.20 124.03 2wvy s ILE 252 Ca 0.10 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.95 2wvy s ILE 252 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2wvy s ILE 252 CO 0.02 0.50 -0.14 -0.13 0.00 0.00 0.00 174.94 175.19 2wvy s ARG 253 N 0.81 2.48 -0.01 2.79 0.52 -0.05 -0.52 118.95 124.97 2wvy s ARG 253 Ca -0.09 -0.71 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 2wvy s ARG 253 Cb -0.16 -2.37 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2wvy s ARG 253 CO -0.00 0.62 0.32 -0.08 0.02 0.00 0.00 175.30 176.17 2wvy s THR 254 N -0.76 0.06 0.17 0.02 -1.32 -0.33 -0.03 115.64 113.45 2wvy s THR 254 Ca 0.12 -0.49 -0.13 0.00 -1.21 0.00 0.00 61.69 59.98 2wvy s THR 254 Cb -0.11 -0.67 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2wvy s THR 254 CO 0.01 -0.27 0.39 0.00 -2.21 0.00 0.00 174.62 172.54 2wvy s ALA 255 N -1.49 -0.51 0.24 11.08 0.00 -0.66 -0.81 121.76 129.61 2wvy s ALA 255 Ca -0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 2wvy s ALA 255 Cb -0.05 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2wvy s ALA 255 CO 0.03 -0.70 0.30 -1.54 0.00 0.00 0.00 175.76 173.85 2wvy s SER 256 N -2.90 0.19 -0.05 0.00 1.04 -1.11 -1.41 113.70 109.45 2wvy s SER 256 Ca 0.11 -1.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.10 2wvy s SER 256 Cb 0.01 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2wvy s SER 256 CO -0.03 -1.01 0.46 -0.55 0.98 0.00 0.00 173.24 173.09 2wvy s SER 257 N -3.12 -0.39 0.00 7.02 0.15 0.71 -4.71 113.70 113.36 2wvy s SER 257 Ca 0.32 0.41 0.25 0.00 0.70 0.00 0.00 55.95 57.63 2wvy s SER 257 Cb 0.03 0.47 0.51 0.00 -1.71 0.00 0.00 66.02 65.33 2wvy s SER 257 CO 0.12 -0.47 1.42 0.49 1.20 0.00 0.00 173.24 176.01 2wvy n PHE 258 N 1.34 0.00 -0.10 3.44 3.72 -1.26 -0.36 117.46 124.24 2wvy n PHE 258 Ca -0.20 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.05 2wvy n PHE 258 Cb 0.56 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 2wvy n PHE 258 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2wvy n ILE 259 N 0.14 1.49 -3.63 4.37 5.41 -1.26 -4.73 119.36 121.14 2wvy n ILE 259 Ca 0.14 0.02 -0.05 0.00 1.00 0.00 0.00 62.75 63.86 2wvy n ILE 259 Cb 0.43 -2.19 -0.02 0.00 -0.71 0.00 0.00 39.64 37.16 2wvy n ILE 259 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wvy s SER 260 N -6.42 -0.22 0.27 4.38 1.04 -1.26 -4.97 113.70 106.51 2wvy s SER 260 Ca -0.26 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2wvy s SER 260 Cb 0.06 0.37 0.57 0.00 0.10 0.00 0.00 66.02 67.12 2wvy s SER 260 CO 0.42 -0.65 1.76 -0.65 0.98 0.00 0.00 173.24 175.09 2wvy h PRO 261 N 2.00 0.60 -0.54 4.02 0.11 -1.90 -0.71 132.00 135.58 2wvy h PRO 261 Ca -0.23 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.87 2wvy h PRO 261 Cb 1.22 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2wvy h PRO 261 CO 0.27 0.40 0.33 0.93 -0.21 0.00 0.00 178.00 179.72 2wvy h GLU 262 N 0.62 0.63 -0.03 1.05 3.07 -1.98 -1.65 114.58 116.28 2wvy h GLU 262 Ca 0.48 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.20 2wvy h GLU 262 Cb 0.72 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 2wvy h GLU 262 CO -0.38 0.42 -0.50 0.37 -1.40 0.00 0.00 179.01 177.52 2wvy h GLN 263 N 0.65 0.07 -0.80 2.33 5.75 -1.78 -1.91 115.11 119.41 2wvy h GLN 263 Ca 0.21 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 2wvy h GLN 263 Cb 0.01 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 2wvy h GLN 263 CO -0.09 0.55 0.44 0.00 -2.65 0.00 0.00 178.83 177.08 2wvy h ALA 264 N 1.44 1.02 -0.67 3.38 0.00 -0.46 0.73 119.26 124.71 2wvy h ALA 264 Ca -0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2wvy h ALA 264 Cb 0.90 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2wvy h ALA 264 CO 0.07 0.53 0.15 0.00 0.00 0.00 0.00 179.25 180.00 2wvy h ALA 265 N 1.23 1.00 -0.32 0.00 0.00 -0.95 0.17 119.26 120.40 2wvy h ALA 265 Ca 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wvy h ALA 265 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2wvy h ALA 265 CO -0.05 0.65 0.11 0.82 0.00 0.00 0.00 179.25 180.79 2wvy h ILE 266 N 1.02 1.19 -0.24 0.00 2.04 -0.91 0.41 117.51 121.02 2wvy h ILE 266 Ca 0.21 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2wvy h ILE 266 Cb 0.37 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2wvy h ILE 266 CO 0.00 0.21 0.13 0.78 0.00 0.00 0.00 178.15 179.27 2wvy h ASN 267 N 0.36 0.20 -0.25 1.72 2.35 -0.54 -1.35 115.58 118.07 2wvy h ASN 267 Ca 0.10 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2wvy h ASN 267 Cb 0.21 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2wvy h ASN 267 CO -0.01 0.15 0.01 0.15 -1.65 0.00 0.00 177.43 176.09 2wvy h PHE 268 N 0.27 0.01 -0.36 1.19 3.57 -0.52 0.06 116.94 121.15 2wvy h PHE 268 Ca 0.10 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2wvy h PHE 268 Cb 0.01 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2wvy h PHE 268 CO -0.09 -0.02 -0.12 -0.91 -2.23 0.00 0.00 178.31 174.94 2wvy h ASN 269 N 0.09 0.62 -0.01 0.41 2.35 -0.71 -0.23 115.58 118.11 2wvy h ASN 269 Ca 0.12 -0.17 -0.24 0.00 -0.55 0.00 0.00 56.30 55.46 2wvy h ASN 269 Cb 0.15 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.37 2wvy h ASN 269 CO -0.19 0.77 -0.92 -0.09 -1.65 0.00 0.00 177.43 175.35 2wvy h ARG 270 N 0.58 0.63 0.02 0.81 2.43 -1.09 -3.38 114.38 114.39 2wvy h ARG 270 Ca 0.10 -0.67 -0.37 0.00 -0.81 0.00 0.00 59.98 58.23 2wvy h ARG 270 Cb 0.54 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 2wvy h ARG 270 CO 0.03 1.27 -2.30 0.39 -1.51 0.00 0.00 179.97 177.85 2wvy n GLU 271 N -3.96 0.68 0.00 0.20 1.02 -0.01 -4.81 120.64 113.76 2wvy n GLU 271 Ca -0.11 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2wvy n GLU 271 Cb 0.82 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2wvy n GLU 271 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2wvy n VAL 272 N -3.14 0.00 -1.61 2.62 0.24 -0.25 -4.99 118.33 111.19 2wvy n VAL 272 Ca -0.37 -0.13 -0.49 0.00 -2.04 0.00 0.00 64.34 61.30 2wvy n VAL 272 Cb 1.05 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 33.99 2wvy n VAL 272 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wvy n ALA 273 N -0.78 -0.15 -0.93 2.33 0.00 -0.33 -1.84 120.51 118.82 2wvy n ALA 273 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2wvy n ALA 273 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2wvy n ALA 273 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wvy n ASP 274 N 2.45 -3.42 -4.89 0.00 10.43 -1.26 -4.99 116.55 114.87 2wvy n ASP 274 Ca 0.16 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.20 2wvy n ASP 274 Cb 0.25 -1.89 -0.05 0.00 1.84 0.00 0.00 41.12 41.27 2wvy n ASP 274 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wvy s ALA 275 N -1.71 3.74 0.53 2.24 0.00 -0.76 -5.11 121.76 120.69 2wvy s ALA 275 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2wvy s ALA 275 Cb 0.00 -2.20 0.06 0.00 0.00 0.00 0.00 23.12 20.98 2wvy s ALA 275 CO 0.00 0.63 0.73 0.16 0.00 0.00 0.00 175.76 177.28 2wvy s ASP 276 N -2.35 5.25 0.33 0.00 1.47 -1.26 -4.97 116.67 115.14 2wvy s ASP 276 Ca 0.41 -0.63 0.04 0.00 1.18 0.00 0.00 52.55 53.56 2wvy s ASP 276 Cb -0.12 -0.11 0.57 0.00 -0.34 0.00 0.00 42.92 42.92 2wvy s ASP 276 CO 0.23 -1.17 1.84 1.62 0.68 0.00 0.00 175.17 178.37 2wvy h VAL 277 N 0.28 1.21 -0.42 2.11 3.04 -1.85 -2.61 116.25 118.01 2wvy h VAL 277 Ca -0.34 -0.92 0.03 0.00 -1.01 0.00 0.00 66.70 64.46 2wvy h VAL 277 Cb 1.28 1.09 -0.04 0.00 -2.01 0.00 0.00 31.29 31.61 2wvy h VAL 277 CO 0.43 0.30 0.20 1.56 -1.01 0.00 0.00 177.57 179.05 2wvy h GLN 278 N 0.45 0.40 -0.46 4.17 7.50 -1.96 0.45 115.11 125.65 2wvy h GLN 278 Ca 0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 2wvy h GLN 278 Cb 0.43 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 2wvy h GLN 278 CO 0.02 0.26 0.25 1.25 -1.50 0.00 0.00 178.83 179.11 2wvy h LEU 279 N 0.41 0.59 -0.44 1.46 5.85 -1.87 -1.91 115.31 119.40 2wvy h LEU 279 Ca 0.18 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 2wvy h LEU 279 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2wvy h LEU 279 CO -0.13 0.52 -0.31 0.40 -0.34 0.00 0.00 178.44 178.58 2wvy h ILE 280 N 0.61 1.27 -0.18 4.05 1.08 -1.12 -2.64 117.51 120.57 2wvy h ILE 280 Ca 0.16 -1.48 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 2wvy h ILE 280 Cb 0.07 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2wvy h ILE 280 CO -0.02 0.50 -0.06 -1.28 -0.69 0.00 0.00 178.15 176.60 2wvy h SER 281 N 0.80 -0.21 -0.59 1.72 0.87 0.00 -1.18 113.55 114.97 2wvy h SER 281 Ca 0.08 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2wvy h SER 281 Cb 0.90 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2wvy h SER 281 CO 0.08 -0.08 0.32 1.23 -0.53 0.00 0.00 176.83 177.86 2wvy h GLY 282 N -0.02 0.91 0.89 5.77 0.00 -1.29 0.47 103.07 109.80 2wvy h GLY 282 Ca 0.09 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 2wvy h GLY 282 CO -0.20 0.39 -0.21 0.50 0.00 0.00 0.00 176.54 177.01 2wvy h LYS 283 N 0.86 0.59 -0.81 4.80 1.57 -1.09 -2.01 116.57 120.48 2wvy h LYS 283 Ca 0.22 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wvy h LYS 283 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2wvy h LYS 283 CO -0.03 0.89 0.39 0.00 -0.57 0.00 0.00 179.45 180.13 2wvy h ALA 284 N 0.69 1.04 -0.40 3.86 0.00 -0.88 -1.35 119.26 122.22 2wvy h ALA 284 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wvy h ALA 284 Cb 0.76 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wvy h ALA 284 CO 0.05 0.60 0.21 -0.09 0.00 0.00 0.00 179.25 180.02 2wvy h ARG 285 N 1.14 0.56 -0.65 0.00 2.43 -0.76 0.33 114.38 117.43 2wvy h ARG 285 Ca 0.28 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2wvy h ARG 285 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2wvy h ARG 285 CO -0.04 0.46 0.27 1.49 -1.51 0.00 0.00 179.97 180.64 2wvy h GLU 286 N 0.51 0.96 0.12 0.20 4.81 -1.28 -0.05 114.58 119.84 2wvy h GLU 286 Ca 0.14 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2wvy h GLU 286 Cb 0.07 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2wvy h GLU 286 CO -0.02 0.80 -0.15 1.96 -0.73 0.00 0.00 179.01 180.87 2wvy h GLN 287 N 0.91 -0.30 -0.63 1.92 1.08 -0.80 -0.47 115.11 116.81 2wvy h GLN 287 Ca 0.22 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2wvy h GLN 287 Cb 0.19 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 2wvy h GLN 287 CO -0.02 -0.20 0.41 -1.49 -0.95 0.00 0.00 178.83 176.59 2wvy h TRP 288 N -0.31 0.78 -0.93 2.96 4.06 -0.73 -1.60 115.95 120.18 2wvy h TRP 288 Ca 0.01 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 2wvy h TRP 288 Cb 0.31 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.16 2wvy h TRP 288 CO -0.15 0.48 0.56 -0.91 -3.56 0.00 0.00 178.44 174.86 2wvy h ASN 289 N 0.83 1.11 -0.17 -3.49 2.35 -0.87 0.13 115.58 115.49 2wvy h ASN 289 Ca 0.24 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2wvy h ASN 289 Cb -0.07 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 2wvy h ASN 289 CO -0.06 0.85 0.07 0.78 -1.65 0.00 0.00 177.43 177.42 2wvy h ASN 290 N 1.28 0.23 0.03 5.81 2.35 -0.49 -0.79 115.58 124.01 2wvy h ASN 290 Ca 0.33 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 2wvy h ASN 290 Cb -0.06 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.27 2wvy h ASN 290 CO -0.06 0.32 -0.60 1.88 -1.65 0.00 0.00 177.43 177.32 2wvy h TYR 291 N 0.12 0.54 -0.40 1.19 0.05 -1.07 -3.20 116.97 114.20 2wvy h TYR 291 Ca 0.06 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 2wvy h TYR 291 Cb 0.16 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 2wvy h TYR 291 CO -0.02 1.16 0.23 -0.07 -1.05 0.00 0.00 178.16 178.41 2wvy h LEU 292 N -0.24 0.47 0.00 3.88 3.38 -0.83 -2.63 115.31 119.34 2wvy h LEU 292 Ca -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2wvy h LEU 292 Cb 1.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wvy h LEU 292 CO 0.12 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.63 2wvy n GLY 293 N -1.38 -0.93 0.23 0.83 0.00 -0.30 -2.72 105.19 100.91 2wvy n GLY 293 Ca 0.03 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.14 2wvy n GLY 293 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wvy h ARG 294 N 0.00 0.00 -4.58 1.61 3.08 -1.51 -3.37 114.38 109.61 2wvy h ARG 294 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2wvy h ARG 294 Cb 0.21 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.91 2wvy h ARG 294 CO 0.00 0.00 -0.83 0.54 -1.07 0.00 0.00 179.97 178.61 2wvy s VAL 295 N -3.69 1.39 -0.38 2.04 0.11 -1.10 -0.16 120.40 118.60 2wvy s VAL 295 Ca -0.01 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.38 2wvy s VAL 295 Cb 0.09 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 2wvy s VAL 295 CO 0.36 0.42 0.22 -1.61 -3.33 0.00 0.00 175.10 171.16 2wvy s GLU 296 N 1.32 2.82 -0.16 1.54 2.02 -0.18 -4.94 118.70 121.12 2wvy s GLU 296 Ca -0.00 -1.09 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 2wvy s GLU 296 Cb -0.14 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 2wvy s GLU 296 CO -0.06 -0.72 0.37 0.00 0.02 0.00 0.00 175.26 174.86 2wvy s ALA 297 N 1.56 3.55 0.04 5.21 0.00 -1.26 -1.69 121.76 129.17 2wvy s ALA 297 Ca 0.02 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2wvy s ALA 297 Cb -0.19 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2wvy s ALA 297 CO 0.07 -0.00 -0.09 -1.21 0.00 0.00 0.00 175.76 174.52 2wvy s GLU 298 N 0.66 0.60 0.00 0.00 2.02 0.19 -4.93 118.70 117.24 2wvy s GLU 298 Ca 0.20 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.46 2wvy s GLU 298 Cb -0.14 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.63 2wvy s GLU 298 CO 0.06 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.85 2wvy n GLY 299 N 1.63 0.67 3.63 -1.39 0.00 -1.26 -1.30 105.19 107.17 2wvy n GLY 299 Ca -0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2wvy n GLY 299 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wvy s GLY 300 N -2.79 0.44 0.65 -0.02 0.00 -1.26 -1.79 107.32 102.55 2wvy s GLY 300 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 2wvy s GLY 300 CO 0.00 -0.54 1.05 -0.51 0.00 0.00 0.00 173.10 173.10 2wvy s THR 301 N -3.99 4.18 0.36 0.90 -4.23 -1.26 -4.87 115.64 106.74 2wvy s THR 301 Ca 0.21 0.77 0.09 0.00 -1.18 0.00 0.00 61.69 61.58 2wvy s THR 301 Cb -0.02 -3.52 0.32 0.00 1.34 0.00 0.00 72.50 70.63 2wvy s THR 301 CO 0.09 -0.86 1.88 0.44 -0.54 0.00 0.00 174.62 175.63 2wvy h ASP 302 N -0.36 0.63 -0.72 3.99 3.32 -2.01 -1.52 116.42 119.73 2wvy h ASP 302 Ca -0.44 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 2wvy h ASP 302 Cb 1.21 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 2wvy h ASP 302 CO 0.58 0.33 0.30 -0.08 -1.72 0.00 0.00 179.24 178.65 2wvy h GLU 303 N 0.67 1.07 -0.30 3.56 4.57 -1.99 0.10 114.58 122.27 2wvy h GLU 303 Ca 0.42 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2wvy h GLU 303 Cb 0.68 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2wvy h GLU 303 CO -0.18 0.88 -0.08 1.96 -1.18 0.00 0.00 179.01 180.40 2wvy h GLN 304 N 1.03 0.59 -0.39 1.92 4.20 -1.72 -1.01 115.11 119.74 2wvy h GLN 304 Ca 0.24 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2wvy h GLN 304 Cb 0.20 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2wvy h GLN 304 CO -0.02 0.79 0.24 -0.07 -0.67 0.00 0.00 178.83 179.09 2wvy h LEU 305 N 0.35 0.40 -0.87 1.46 3.38 -0.97 0.16 115.31 119.22 2wvy h LEU 305 Ca 0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wvy h LEU 305 Cb 0.58 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2wvy h LEU 305 CO 0.03 0.29 0.57 0.03 0.09 0.00 0.00 178.44 179.45 2wvy h ARG 306 N 0.49 1.11 -0.13 1.13 3.08 -0.75 -0.53 114.38 118.77 2wvy h ARG 306 Ca 0.15 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2wvy h ARG 306 Cb -0.02 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 2wvy h ARG 306 CO -0.05 0.73 0.01 1.15 -1.07 0.00 0.00 179.97 180.74 2wvy h THR 307 N 1.14 1.24 -0.01 2.04 2.02 -0.52 -0.97 112.91 117.86 2wvy h THR 307 Ca 0.33 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2wvy h THR 307 Cb -0.09 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2wvy h THR 307 CO -0.09 0.23 0.00 0.15 0.37 0.00 0.00 175.52 176.19 2wvy h PHE 308 N -0.02 0.01 0.00 3.16 3.57 -0.48 -1.16 116.94 122.01 2wvy h PHE 308 Ca 0.04 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 2wvy h PHE 308 Cb 0.35 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2wvy h PHE 308 CO 0.03 0.02 -0.65 1.88 -2.23 0.00 0.00 178.31 177.36 2wvy h TYR 309 N -0.01 0.00 -0.36 0.41 0.05 -1.12 -0.76 116.97 115.18 2wvy h TYR 309 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2wvy h TYR 309 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2wvy h TYR 309 CO -0.07 0.65 0.07 0.77 -1.05 0.00 0.00 178.16 178.53 2wvy h SER 310 N 0.00 0.56 -0.84 3.88 0.02 -1.02 0.45 113.55 116.60 2wvy h SER 310 Ca -0.01 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2wvy h SER 310 Cb 1.18 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 2wvy h SER 310 CO 0.08 0.67 0.53 0.00 -1.14 0.00 0.00 176.83 176.98 2wvy h LEU 312 N 1.15 0.55 -0.61 0.00 5.85 -0.94 -1.32 115.31 120.00 2wvy h LEU 312 Ca 0.31 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.86 2wvy h LEU 312 Cb -0.09 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 2wvy h LEU 312 CO -0.06 0.65 0.26 0.22 -0.34 0.00 0.00 178.44 179.17 2wvy h TYR 313 N 0.42 0.46 -0.84 1.25 3.20 -0.66 -0.66 116.97 120.14 2wvy h TYR 313 Ca 0.11 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.05 2wvy h TYR 313 Cb 0.32 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 2wvy h TYR 313 CO 0.02 0.16 0.53 -0.09 -1.64 0.00 0.00 178.16 177.14 2wvy h ARG 314 N 0.47 0.99 0.00 1.82 9.65 -1.05 -2.14 114.38 124.11 2wvy h ARG 314 Ca 0.30 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.08 2wvy h ARG 314 Cb 0.32 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2wvy h ARG 314 CO -0.26 0.65 -0.16 1.15 2.80 0.00 0.00 179.97 184.14 2wvy h THR 315 N 1.02 0.45 -0.14 0.20 2.02 0.03 -2.93 112.91 113.56 2wvy h THR 315 Ca 0.35 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2wvy h THR 315 Cb 0.07 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2wvy h THR 315 CO -0.14 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.10 2wvy n LEU 316 N -3.38 1.58 -0.04 2.58 4.77 -0.57 -4.18 117.00 117.76 2wvy n LEU 316 Ca -0.00 -0.64 -0.17 0.00 -0.03 0.00 0.00 56.01 55.17 2wvy n LEU 316 Cb 0.37 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2wvy n LEU 316 CO 0.31 0.32 0.07 -0.07 -1.33 0.00 0.00 177.39 176.70 2wvy h LEU 317 N 2.15 0.14-10.27 2.23 3.38 -1.50 -0.64 115.31 110.79 2wvy h LEU 317 Ca 0.00 -0.89 -0.55 0.00 0.09 0.00 0.00 57.88 56.53 2wvy h LEU 317 Cb 0.47 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2wvy h LEU 317 CO 0.00 1.23 -0.33 -0.36 0.09 0.00 0.00 178.44 179.07 2wvy s PHE 318 N -2.31 2.05 0.47 1.13 0.08 -1.26 -3.86 117.98 114.27 2wvy s PHE 318 Ca -0.20 -0.70 -0.14 0.00 0.12 0.00 0.00 56.93 56.02 2wvy s PHE 318 Cb 0.00 -2.02 -0.12 0.00 -0.57 0.00 0.00 43.02 40.31 2wvy s PHE 318 CO 0.71 -0.35 -0.21 -0.35 -0.10 0.00 0.00 175.22 174.91 2wvy n PRO 319 N -1.68 0.00 -3.35 0.24 -0.04 -1.26 -4.98 135.00 123.92 2wvy n PRO 319 Ca 0.01 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.15 2wvy n PRO 319 Cb 0.63 -0.77 -0.06 0.00 -0.04 0.00 0.00 33.50 33.27 2wvy n PRO 319 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wvy s ARG 320 N -0.94 3.87 0.24 0.54 1.70 -0.62 -4.74 118.95 118.99 2wvy s ARG 320 Ca 0.41 0.38 -0.31 0.00 -0.47 0.00 0.00 55.73 55.75 2wvy s ARG 320 Cb -0.33 -2.63 -0.11 0.00 -0.57 0.00 0.00 34.95 31.31 2wvy s ARG 320 CO 0.54 0.30 1.58 -1.21 -1.08 0.00 0.00 175.30 175.42 2wvy s GLU 321 N -2.76 4.18 -0.09 3.89 2.02 0.30 -2.24 118.70 124.00 2wvy s GLU 321 Ca 0.48 2.47 0.12 0.00 0.02 0.00 0.00 54.97 58.06 2wvy s GLU 321 Cb -0.11 -3.08 0.28 0.00 0.10 0.00 0.00 34.13 31.32 2wvy s GLU 321 CO 0.20 -0.60 1.20 0.34 0.02 0.00 0.00 175.26 176.42 2wvy n PHE 322 N 2.99 0.33 -3.88 1.61 7.35 0.15 -3.78 117.46 122.23 2wvy n PHE 322 Ca 0.11 -0.75 -0.22 0.00 -0.76 0.00 0.00 57.45 55.82 2wvy n PHE 322 Cb 0.38 -0.14 -0.05 0.00 0.35 0.00 0.00 39.48 40.02 2wvy n PHE 322 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2wvy s TYR 323 N -2.06 2.76 0.10 -5.13 -0.85 -1.24 -4.46 117.35 106.48 2wvy s TYR 323 Ca 0.25 -0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.35 2wvy s TYR 323 Cb 0.20 -1.86 -0.03 0.00 0.38 0.00 0.00 41.96 40.66 2wvy s TYR 323 CO 0.06 0.16 0.10 -1.21 -1.52 0.00 0.00 175.55 173.14 2wvy s GLU 324 N -3.97 0.86 -0.20 -3.49 2.02 0.77 -4.95 118.70 109.74 2wvy s GLU 324 Ca 0.42 -1.21 -0.04 0.00 0.02 0.00 0.00 54.97 54.15 2wvy s GLU 324 Cb -0.03 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.46 2wvy s GLU 324 CO 0.25 -0.25 -0.02 -0.06 0.02 0.00 0.00 175.26 175.21 2wvy s PHE 325 N -3.95 3.01 0.83 1.61 0.08 -1.26 0.05 117.98 118.34 2wvy s PHE 325 Ca 0.13 -0.58 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 2wvy s PHE 325 Cb 0.06 -2.08 0.20 0.00 -0.57 0.00 0.00 43.02 40.64 2wvy s PHE 325 CO -0.05 -0.31 0.86 -0.40 -0.10 0.00 0.00 175.22 175.22 2wvy n ASP 326 N 4.33 -1.11 0.15 1.36 5.68 -0.44 -4.72 116.55 121.80 2wvy n ASP 326 Ca -0.17 -1.12 0.10 0.00 -0.50 0.00 0.00 54.79 53.09 2wvy n ASP 326 Cb 0.52 -0.74 0.52 0.00 -1.14 0.00 0.00 41.12 40.28 2wvy n ASP 326 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wvy n SER 327 N -4.09 0.49 -0.11 -1.12 3.41 -1.26 -0.54 113.62 110.39 2wvy n SER 327 Ca 0.11 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 2wvy n SER 327 Cb 0.43 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 2wvy n SER 327 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2wvy n GLN 328 N -2.17 0.29 -0.58 4.33 -0.06 -1.26 -4.96 117.38 112.97 2wvy n GLN 328 Ca -0.01 -0.23 0.00 0.00 -2.00 0.00 0.00 57.00 54.76 2wvy n GLN 328 Cb 0.05 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.74 2wvy n GLN 328 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wvy n GLY 329 N 1.48 0.75 3.83 1.69 0.00 0.30 -5.06 105.19 108.17 2wvy n GLY 329 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2wvy n GLY 329 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvy s ASN 330 N -2.45 6.82 0.16 1.61 0.01 -1.26 -4.71 114.94 115.13 2wvy s ASN 330 Ca 0.00 0.98 -0.30 0.00 -0.71 0.00 0.00 52.86 52.82 2wvy s ASN 330 Cb 0.00 -2.26 -0.08 0.00 0.41 0.00 0.00 41.25 39.31 2wvy s ASN 330 CO 0.00 0.30 1.33 -2.16 -1.51 0.00 0.00 177.10 175.06 2wvy s PRO 331 N -0.95 4.37 0.09 -0.60 0.04 -1.26 -1.32 135.00 135.36 2wvy s PRO 331 Ca 0.24 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 2wvy s PRO 331 Cb -0.17 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2wvy s PRO 331 CO 0.14 -0.32 0.01 0.14 0.04 0.00 0.00 177.00 177.01 2wvy s VAL 332 N 0.49 0.17 -0.06 -0.36 -7.23 0.11 -1.23 120.40 112.29 2wvy s VAL 332 Ca 0.59 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.73 2wvy s VAL 332 Cb -0.36 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 34.84 2wvy s VAL 332 CO 0.35 -0.74 0.39 -0.72 -0.31 0.00 0.00 175.10 174.07 2wvy s TYR 333 N -3.98 -0.32 -0.12 2.82 -0.85 -0.39 -0.16 117.35 114.35 2wvy s TYR 333 Ca 0.15 0.61 -0.29 0.00 -0.52 0.00 0.00 57.07 57.02 2wvy s TYR 333 Cb 0.08 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 2wvy s TYR 333 CO -0.04 -0.38 1.30 -0.47 -1.52 0.00 0.00 175.55 174.44 2wvy s TYR 334 N -0.91 2.83 -0.12 -3.49 5.04 -1.26 -1.17 117.35 118.26 2wvy s TYR 334 Ca -0.10 0.95 -0.29 0.00 -2.44 0.00 0.00 57.07 55.19 2wvy s TYR 334 Cb -0.04 -3.54 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 2wvy s TYR 334 CO 0.04 -1.90 1.04 0.45 -1.34 0.00 0.00 175.55 173.84 2wvy s SER 335 N 2.01 7.19 0.00 4.32 0.15 0.39 -4.87 113.70 122.89 2wvy s SER 335 Ca 0.57 1.55 0.31 0.00 0.70 0.00 0.00 55.95 59.08 2wvy s SER 335 Cb -0.24 -2.55 1.84 0.00 -1.71 0.00 0.00 66.02 63.36 2wvy s SER 335 CO 0.18 -0.50 2.19 -0.81 1.20 0.00 0.00 173.24 175.50 2wvy n PRO 336 N 5.26 0.93 -0.09 5.44 -0.04 -1.26 -1.26 135.00 143.97 2wvy n PRO 336 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2wvy n PRO 336 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 2wvy n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wvy n TYR 337 N -1.03 0.23 0.00 0.54 4.01 -1.26 -4.17 117.16 115.48 2wvy n TYR 337 Ca 0.23 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2wvy n TYR 337 Cb 0.12 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 2wvy n TYR 337 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2wvy n ASP 338 N -3.05 0.24 0.00 7.72 5.68 -1.25 -4.73 116.55 121.16 2wvy n ASP 338 Ca -0.36 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.66 2wvy n ASP 338 Cb 1.07 0.58 0.00 0.00 -1.14 0.00 0.00 41.12 41.64 2wvy n ASP 338 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wvy n GLY 339 N 0.66 0.73 3.91 6.12 0.00 -0.39 -5.01 105.19 111.21 2wvy n GLY 339 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2wvy n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvy s ASN 340 N -2.35 5.28 -0.12 1.61 0.02 -1.26 -4.78 114.94 113.35 2wvy s ASN 340 Ca 0.00 -0.60 -0.12 0.00 -1.02 0.00 0.00 52.86 51.12 2wvy s ASN 340 Cb 0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 41.25 40.54 2wvy s ASN 340 CO 0.00 -0.63 0.26 -0.69 0.02 0.00 0.00 177.10 176.06 2wvy s VAL 341 N -2.40 5.31 0.18 1.60 1.01 -1.26 -0.46 120.40 124.37 2wvy s VAL 341 Ca 0.49 0.49 0.06 0.00 0.00 0.00 0.00 61.98 63.01 2wvy s VAL 341 Cb -0.06 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2wvy s VAL 341 CO 0.29 0.49 -0.11 -1.00 0.00 0.00 0.00 175.10 174.77 2wvy s HIS 342 N -0.25 1.51 0.23 5.22 3.76 -0.32 -4.95 115.29 120.49 2wvy s HIS 342 Ca 0.17 -0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 54.15 2wvy s HIS 342 Cb -0.13 -0.75 -0.09 0.00 1.11 0.00 0.00 32.58 32.73 2wvy s HIS 342 CO 0.05 0.21 0.83 -0.51 -0.85 0.00 0.00 174.74 174.47 2wvy s ASP 343 N -3.25 7.32 0.00 1.40 1.01 -1.26 -1.26 116.67 120.62 2wvy s ASP 343 Ca 0.20 1.67 0.00 0.00 0.71 0.00 0.00 52.55 55.13 2wvy s ASP 343 Cb 0.01 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.43 2wvy s ASP 343 CO 0.04 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.12 2wvy n GLY 344 N 1.07 0.21 3.54 0.21 0.00 -0.37 -4.89 105.19 104.97 2wvy n GLY 344 Ca -0.02 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 2wvy n GLY 344 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvy s TYR 345 N 0.00 2.68 -0.06 1.61 2.02 -1.26 -3.84 117.35 118.50 2wvy s TYR 345 Ca 0.00 -0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.37 2wvy s TYR 345 Cb 0.00 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.15 2wvy s TYR 345 CO 0.00 0.38 0.35 1.41 -1.57 0.00 0.00 175.55 176.12 2wvy s MET 346 N -1.96 0.61 0.08 -0.62 -2.45 -1.26 -4.39 119.30 109.31 2wvy s MET 346 Ca 0.19 0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.73 2wvy s MET 346 Cb -0.11 0.28 -0.04 0.00 1.25 0.00 0.00 34.83 36.21 2wvy s MET 346 CO 0.11 -0.14 -0.06 0.71 1.05 0.00 0.00 175.02 176.68 2wvy s TYR 347 N -0.77 0.81 0.12 4.11 2.02 -1.26 0.29 117.35 122.67 2wvy s TYR 347 Ca -0.09 -0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 55.69 2wvy s TYR 347 Cb -0.04 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 2wvy s TYR 347 CO 0.03 -0.17 0.24 -2.37 -1.57 0.00 0.00 175.55 171.71 2wvy n THR 348 N 0.18 0.00 -2.74 -0.71 5.66 -0.95 -4.87 114.28 110.84 2wvy n THR 348 Ca -0.14 -0.29 -0.10 0.00 -3.05 0.00 0.00 64.05 60.47 2wvy n THR 348 Cb 0.60 0.29 0.05 0.00 -1.55 0.00 0.00 70.33 69.72 2wvy n THR 348 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2wvy n ASP 349 N -1.15 -3.89 -3.67 1.09 8.00 -0.10 -1.59 116.55 115.24 2wvy n ASP 349 Ca -0.03 -0.44 -0.11 0.00 0.71 0.00 0.00 54.79 54.92 2wvy n ASP 349 Cb 0.18 -3.54 -0.09 0.00 -0.02 0.00 0.00 41.12 37.65 2wvy n ASP 349 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2wvy s ASN 350 N -3.49 -0.67 -0.30 -2.24 3.04 -0.83 -4.33 114.94 106.12 2wvy s ASN 350 Ca 0.19 1.19 -0.08 0.00 0.04 0.00 0.00 52.86 54.20 2wvy s ASN 350 Cb -0.02 1.14 -0.00 0.00 -1.54 0.00 0.00 41.25 40.82 2wvy s ASN 350 CO 0.48 -0.21 0.11 -0.83 -3.04 0.00 0.00 177.10 173.61 2wvy s GLY 351 N 0.89 1.82 0.53 1.21 0.00 -1.26 -1.50 107.32 109.02 2wvy s GLY 351 Ca -0.05 -1.41 0.21 0.00 0.00 0.00 0.00 44.72 43.47 2wvy s GLY 351 CO -0.08 0.66 2.15 0.74 0.00 0.00 0.00 173.10 176.58 2wvy h PHE 352 N 8.29 0.00 -0.92 1.90 0.04 -1.39 -0.33 116.94 124.53 2wvy h PHE 352 Ca -0.32 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.66 2wvy h PHE 352 Cb 1.14 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.22 2wvy h PHE 352 CO 0.63 0.04 0.61 2.35 -0.60 0.00 0.00 178.31 181.34 2wvy h TRP 353 N 0.00 0.52 0.07 -0.55 7.01 -1.82 -1.40 115.95 119.78 2wvy h TRP 353 Ca -0.00 0.02 -0.31 0.00 2.11 0.00 0.00 58.89 60.70 2wvy h TRP 353 Cb 0.08 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 2wvy h TRP 353 CO 0.00 0.13 -1.72 -3.47 -2.79 0.00 0.00 178.44 170.59 2wvy n ASP 354 N -4.51 2.01 0.07 2.65 -0.08 -0.21 -4.63 116.55 111.84 2wvy n ASP 354 Ca 0.20 0.30 0.13 0.00 -1.51 0.00 0.00 54.79 53.90 2wvy n ASP 354 Cb 0.73 -0.90 0.37 0.00 2.34 0.00 0.00 41.12 43.65 2wvy n ASP 354 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2wvy n THR 355 N -3.91 0.38 0.21 5.18 -2.24 -0.75 -3.39 114.28 109.77 2wvy n THR 355 Ca -0.33 -0.21 0.06 0.00 -2.27 0.00 0.00 64.05 61.29 2wvy n THR 355 Cb 0.89 -0.38 0.48 0.00 -2.10 0.00 0.00 70.33 69.21 2wvy n THR 355 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2wvy h PHE 356 N 0.00 0.00 -0.44 4.78 -5.15 -1.52 -1.56 116.94 113.05 2wvy h PHE 356 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 2wvy h PHE 356 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.84 2wvy h PHE 356 CO 0.00 0.26 -0.04 0.00 -2.00 0.00 0.00 178.31 176.53 2wvy h ARG 357 N 0.00 0.80 0.00 6.09 3.08 -1.80 -3.41 114.38 119.14 2wvy h ARG 357 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2wvy h ARG 357 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2wvy h ARG 357 CO 0.03 0.89 0.00 0.00 -1.07 0.00 0.00 179.97 179.82 2wvy n ALA 358 N -2.44 0.56 0.37 0.04 0.00 -1.24 -4.74 120.51 113.07 2wvy n ALA 358 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2wvy n ALA 358 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 2wvy n ALA 358 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wvy h VAL 359 N 0.00 0.32 -0.25 0.00 2.07 -1.78 -1.19 116.25 115.41 2wvy h VAL 359 Ca 0.00 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 2wvy h VAL 359 Cb 0.00 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2wvy h VAL 359 CO 0.00 0.00 -0.27 0.45 0.02 0.00 0.00 177.57 177.77 2wvy h HIS 360 N -0.94 0.56 -0.36 1.57 3.86 -1.55 -2.44 115.15 115.85 2wvy h HIS 360 Ca -0.09 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 58.94 2wvy h HIS 360 Cb 0.71 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 2wvy h HIS 360 CO -0.02 0.73 0.01 -1.35 0.86 0.00 0.00 177.93 178.15 2wvy h PRO 361 N 0.44 0.55 -0.67 2.45 0.11 -1.78 0.10 132.00 133.20 2wvy h PRO 361 Ca 0.06 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.08 2wvy h PRO 361 Cb 0.71 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 2wvy h PRO 361 CO 0.05 0.57 0.42 1.25 -0.21 0.00 0.00 178.00 180.08 2wvy h LEU 362 N 0.53 0.68 -0.03 2.35 5.85 -0.82 -2.25 115.31 121.62 2wvy h LEU 362 Ca 0.11 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wvy h LEU 362 Cb 0.33 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2wvy h LEU 362 CO 0.01 0.48 0.01 -0.26 -0.34 0.00 0.00 178.44 178.34 2wvy h PHE 363 N 0.82 0.02 -0.32 1.25 0.04 -0.86 0.12 116.94 118.01 2wvy h PHE 363 Ca 0.27 0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.13 2wvy h PHE 363 Cb 0.01 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2wvy h PHE 363 CO -0.05 0.01 0.28 1.79 -0.60 0.00 0.00 178.31 179.75 2wvy h THR 364 N 0.03 0.59 0.00 -1.55 1.35 -0.54 0.31 112.91 113.10 2wvy h THR 364 Ca 0.01 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.81 2wvy h THR 364 Cb 0.01 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 2wvy h THR 364 CO -0.02 0.00 -0.69 0.25 -0.25 0.00 0.00 175.52 174.81 2wvy h LEU 365 N 0.00 0.00 0.00 3.87 5.85 -0.80 -3.40 115.31 120.84 2wvy h LEU 365 Ca 0.15 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wvy h LEU 365 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2wvy h LEU 365 CO -0.00 0.96 -1.85 0.18 -0.34 0.00 0.00 178.44 177.39 2wvy n LEU 366 N -4.57 0.14 -2.75 2.25 4.77 0.36 -4.57 117.00 112.64 2wvy n LEU 366 Ca -0.14 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 2wvy n LEU 366 Cb 0.37 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2wvy n LEU 366 CO 0.13 -0.00 -0.05 -1.22 -1.33 0.00 0.00 177.39 174.91 2wvy n TYR 367 N -2.25 1.67 0.28 -1.77 4.01 0.94 -4.94 117.16 115.10 2wvy n TYR 367 Ca -0.03 -3.15 0.17 0.00 -0.16 0.00 0.00 57.90 54.73 2wvy n TYR 367 Cb 0.55 -0.33 0.78 0.00 -0.31 0.00 0.00 39.34 40.03 2wvy n TYR 367 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wvy h PRO 368 N 2.91 0.00 0.00 -0.72 0.13 -1.35 -0.61 132.00 132.36 2wvy h PRO 368 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2wvy h PRO 368 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2wvy h PRO 368 CO 0.60 0.04 -0.10 1.05 -0.23 0.00 0.00 178.00 179.35 2wvy h GLU 369 N 0.00 0.00 -0.12 0.86 9.09 -1.92 -0.13 114.58 122.36 2wvy h GLU 369 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 2wvy h GLU 369 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2wvy h GLU 369 CO 0.00 0.10 -0.22 0.28 0.05 0.00 0.00 179.01 179.22 2wvy h VAL 370 N 0.00 1.38 -0.84 -1.06 2.07 -1.44 -3.14 116.25 113.21 2wvy h VAL 370 Ca -0.00 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.06 2wvy h VAL 370 Cb 0.22 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2wvy h VAL 370 CO 0.01 0.43 0.56 0.28 0.02 0.00 0.00 177.57 178.87 2wvy h SER 371 N -0.06 0.91 -0.70 0.57 0.02 -1.39 0.15 113.55 113.04 2wvy h SER 371 Ca 0.01 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2wvy h SER 371 Cb 0.81 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 2wvy h SER 371 CO 0.05 0.63 0.30 -0.33 -1.14 0.00 0.00 176.83 176.34 2wvy h GLU 372 N 1.06 0.48 0.17 3.45 5.08 -1.04 -0.96 114.58 122.82 2wvy h GLU 372 Ca 0.33 -0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 58.37 2wvy h GLU 372 Cb 0.01 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wvy h GLU 372 CO -0.10 0.31 -1.34 0.00 -1.00 0.00 0.00 179.01 176.89 2wvy h ARG 373 N 0.49 0.37 -0.04 2.33 3.08 -1.30 -3.16 114.38 116.13 2wvy h ARG 373 Ca 0.36 -0.63 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 2wvy h ARG 373 Cb 0.47 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 2wvy h ARG 373 CO -0.33 1.30 0.02 0.28 -1.07 0.00 0.00 179.97 180.17 2wvy h VAL 374 N 0.10 1.10 -0.93 2.04 2.07 -0.45 -1.16 116.25 119.01 2wvy h VAL 374 Ca -0.18 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2wvy h VAL 374 Cb 2.05 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 2wvy h VAL 374 CO 0.23 0.08 0.61 0.71 0.02 0.00 0.00 177.57 179.21 2wvy h THR 375 N -0.04 1.16 -0.72 2.57 1.35 -1.32 -1.15 112.91 114.78 2wvy h THR 375 Ca 0.02 -0.40 0.05 0.00 -0.55 0.00 0.00 66.41 65.52 2wvy h THR 375 Cb 0.11 -0.12 -0.05 0.00 -1.73 0.00 0.00 68.15 66.36 2wvy h THR 375 CO -0.00 0.22 0.43 1.56 -0.25 0.00 0.00 175.52 177.47 2wvy h GLN 376 N 1.18 0.78 -0.17 4.72 4.20 -1.47 -2.54 115.11 121.81 2wvy h GLN 376 Ca 0.37 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 2wvy h GLN 376 Cb -0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2wvy h GLN 376 CO -0.12 0.52 -0.23 0.77 -0.67 0.00 0.00 178.83 179.10 2wvy h SER 377 N 0.81 0.29 -0.41 1.46 0.02 -0.07 -0.32 113.55 115.33 2wvy h SER 377 Ca 0.31 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2wvy h SER 377 Cb 0.12 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2wvy h SER 377 CO -0.15 0.53 0.17 0.40 -1.14 0.00 0.00 176.83 176.64 2wvy h ILE 378 N 0.27 1.20 -0.56 3.27 2.04 -0.85 -0.93 117.51 121.95 2wvy h ILE 378 Ca 0.05 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 2wvy h ILE 378 Cb 0.56 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2wvy h ILE 378 CO 0.04 0.22 0.02 0.40 0.00 0.00 0.00 178.15 178.83 2wvy h ILE 379 N 0.52 1.25 -0.70 -0.67 1.08 -1.20 -2.34 117.51 115.46 2wvy h ILE 379 Ca 0.14 -1.06 0.04 0.00 -0.39 0.00 0.00 64.86 63.59 2wvy h ILE 379 Cb 0.19 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 2wvy h ILE 379 CO -0.01 0.38 0.43 0.78 -0.69 0.00 0.00 178.15 179.04 2wvy h ASN 380 N 0.87 0.70 -0.67 1.72 2.35 -0.65 -0.83 115.58 119.07 2wvy h ASN 380 Ca 0.17 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2wvy h ASN 380 Cb 0.48 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2wvy h ASN 380 CO 0.02 0.48 0.17 0.00 -1.65 0.00 0.00 177.43 176.45 2wvy h ALA 381 N 1.31 0.88 -0.53 -0.83 0.00 -1.01 -0.78 119.26 118.30 2wvy h ALA 381 Ca 0.29 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2wvy h ALA 381 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2wvy h ALA 381 CO -0.12 0.60 0.34 -0.92 0.00 0.00 0.00 179.25 179.14 2wvy h TYR 382 N 1.00 0.63 -0.19 0.00 3.20 -0.97 0.16 116.97 120.81 2wvy h TYR 382 Ca 0.21 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 2wvy h TYR 382 Cb 0.36 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2wvy h TYR 382 CO 0.03 0.38 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.89 2wvy h ASN 383 N 0.68 0.29 1.03 -2.11 2.35 -0.65 0.20 115.58 117.36 2wvy h ASN 383 Ca 0.20 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 2wvy h ASN 383 Cb -0.03 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2wvy h ASN 383 CO -0.07 0.44 -1.04 -0.33 -1.65 0.00 0.00 177.43 174.79 2wvy h GLU 384 N 0.29 0.00 0.00 0.81 5.08 -0.59 -3.40 114.58 116.76 2wvy h GLU 384 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2wvy h GLU 384 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2wvy h GLU 384 CO 0.02 0.34 -0.86 -1.13 -1.00 0.00 0.00 179.01 176.38 2wvy n SER 385 N -3.00 4.30 0.00 1.42 3.41 0.52 -4.44 113.62 115.83 2wvy n SER 385 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2wvy n SER 385 Cb 0.78 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 2wvy n SER 385 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvy n GLY 386 N 2.18 0.38 3.07 5.00 0.00 0.70 -5.04 105.19 111.47 2wvy n GLY 386 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2wvy n GLY 386 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvy s PHE 387 N -2.13 0.60 0.47 1.61 0.08 -1.24 -4.98 117.98 112.39 2wvy s PHE 387 Ca 0.00 -0.65 -0.20 0.00 0.12 0.00 0.00 56.93 56.19 2wvy s PHE 387 Cb 0.00 -0.37 -0.09 0.00 -0.57 0.00 0.00 43.02 41.99 2wvy s PHE 387 CO 0.00 -0.15 1.02 -1.64 -0.10 0.00 0.00 175.22 174.34 2wvy s MET 388 N -2.25 3.91 0.45 0.44 -1.94 -1.26 -3.13 119.30 115.50 2wvy s MET 388 Ca -0.05 1.30 -0.20 0.00 -1.71 0.00 0.00 55.69 55.02 2wvy s MET 388 Cb -0.05 -2.12 -0.10 0.00 2.01 0.00 0.00 34.83 34.57 2wvy s MET 388 CO -0.02 -0.33 0.96 -1.25 -0.01 0.00 0.00 175.02 174.37 2wvy s PRO 389 N -3.22 4.15 -0.00 2.03 0.05 -1.26 -4.62 135.00 132.12 2wvy s PRO 389 Ca 0.66 1.14 -0.03 0.00 0.05 0.00 0.00 61.00 62.81 2wvy s PRO 389 Cb -0.14 -2.16 -0.01 0.00 0.05 0.00 0.00 34.50 32.23 2wvy s PRO 389 CO 0.18 -0.11 -0.06 0.39 0.05 0.00 0.00 177.00 177.45 2wvy n GLU 390 N -0.77 0.09 -3.95 4.56 -0.58 -1.26 -4.50 120.64 114.23 2wvy n GLU 390 Ca 0.07 0.04 -0.35 0.00 -0.42 0.00 0.00 57.16 56.50 2wvy n GLU 390 Cb 0.54 -0.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.80 2wvy n GLU 390 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2wvy s TRP 391 N -1.65 3.19 -0.07 -0.32 -0.00 -1.26 -0.94 118.94 117.89 2wvy s TRP 391 Ca -0.05 -0.08 0.01 0.00 -0.00 0.00 0.00 56.10 55.98 2wvy s TRP 391 Cb 0.01 -2.13 0.02 0.00 -0.00 0.00 0.00 33.47 31.37 2wvy s TRP 391 CO 0.08 -0.01 -0.07 0.00 -0.00 0.00 0.00 176.95 176.94 2wvy s ALA 392 N 0.78 0.99 -0.30 5.86 0.00 -0.56 -1.20 121.76 127.33 2wvy s ALA 392 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 2wvy s ALA 392 Cb -0.13 -0.59 0.18 0.00 0.00 0.00 0.00 23.12 22.58 2wvy s ALA 392 CO 0.02 -0.08 0.77 0.45 0.00 0.00 0.00 175.76 176.92 2wvy s SER 393 N 1.07 -1.03 0.33 0.00 0.15 -1.26 -0.92 113.70 112.04 2wvy s SER 393 Ca -0.08 0.65 0.19 0.00 0.70 0.00 0.00 55.95 57.41 2wvy s SER 393 Cb -0.14 1.86 1.22 0.00 -1.71 0.00 0.00 66.02 67.25 2wvy s SER 393 CO -0.01 -0.19 1.42 -0.81 1.20 0.00 0.00 173.24 174.86 2wvy n PRO 394 N 5.45 -0.05 -0.21 5.44 -0.04 -1.26 -4.57 135.00 139.75 2wvy n PRO 394 Ca -0.03 1.24 0.00 0.00 -0.04 0.00 0.00 63.50 64.67 2wvy n PRO 394 Cb 0.52 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2wvy n PRO 394 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wvy n GLY 395 N -1.24 1.97 3.70 0.55 0.00 0.91 -4.68 105.19 106.40 2wvy n GLY 395 Ca 0.34 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2wvy n GLY 395 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wvy s HIS 396 N 1.78 2.46 -0.03 1.61 3.76 -1.26 -4.22 115.29 119.39 2wvy s HIS 396 Ca 0.00 0.14 0.05 0.00 -0.15 0.00 0.00 55.06 55.10 2wvy s HIS 396 Cb 0.00 -4.15 -0.01 0.00 1.11 0.00 0.00 32.58 29.53 2wvy s HIS 396 CO 0.00 -4.60 -0.18 1.03 -0.85 0.00 0.00 174.74 170.14 2wvy s ARG 397 N 2.11 1.67 -0.78 1.40 1.81 -0.34 -4.08 118.95 120.73 2wvy s ARG 397 Ca 0.78 -0.64 -0.26 0.00 -1.72 0.00 0.00 55.73 53.90 2wvy s ARG 397 Cb -0.47 -1.51 0.04 0.00 -0.45 0.00 0.00 34.95 32.55 2wvy s ARG 397 CO 0.34 0.32 1.28 0.20 -0.68 0.00 0.00 175.30 176.76 2wvy s GLY 398 N -0.18 1.01 -0.23 -3.53 0.00 -1.26 -4.37 107.32 98.76 2wvy s GLY 398 Ca 0.01 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 43.02 2wvy s GLY 398 CO 0.01 2.59 0.56 0.00 0.00 0.00 0.00 173.10 176.25 2wvy n MET 400 N 4.23 0.00 -3.97 0.00 2.81 -1.26 -4.56 117.12 114.37 2wvy n MET 400 Ca -0.21 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.57 2wvy n MET 400 Cb 0.57 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.05 2wvy n MET 400 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2wvy s ILE 401 N 0.00 0.00 0.00 2.02 -4.36 -1.26 -4.65 121.20 112.95 2wvy s ILE 401 Ca 0.00 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 2wvy s ILE 401 Cb 0.00 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.23 2wvy s ILE 401 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2wvy n GLY 402 N -0.48 0.12 2.32 6.27 0.00 -1.26 -4.64 105.19 107.52 2wvy n GLY 402 Ca -0.03 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 43.90 2wvy n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wvy n ASN 403 N -0.71 4.56 0.00 1.61 3.02 -1.26 -4.87 115.26 117.61 2wvy n ASN 403 Ca 0.00 -3.64 0.10 0.00 -0.03 0.00 0.00 54.58 51.01 2wvy n ASN 403 Cb 0.00 -0.42 0.43 0.00 -0.61 0.00 0.00 39.78 39.18 2wvy n ASN 403 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wvy n ASN 404 N -0.55 0.00 -0.26 6.41 4.13 -1.26 -1.19 115.26 122.53 2wvy n ASN 404 Ca 0.39 0.46 0.17 0.00 1.68 0.00 0.00 54.58 57.28 2wvy n ASN 404 Cb 0.79 -0.48 0.46 0.00 -1.54 0.00 0.00 39.78 39.01 2wvy n ASN 404 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2wvy h SER 405 N 0.00 0.50 -0.79 6.41 4.64 -1.90 -1.13 113.55 121.28 2wvy h SER 405 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2wvy h SER 405 Cb 0.33 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 2wvy h SER 405 CO 0.00 0.21 0.43 0.58 -0.87 0.00 0.00 176.83 177.17 2wvy h VAL 406 N 0.50 1.24 -0.55 0.95 2.07 -1.53 -2.53 116.25 116.40 2wvy h VAL 406 Ca 0.48 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2wvy h VAL 406 Cb 1.06 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2wvy h VAL 406 CO -0.21 0.27 0.34 -1.28 0.02 0.00 0.00 177.57 176.71 2wvy h SER 407 N 1.10 0.57 -0.40 0.57 0.87 -1.36 -0.39 113.55 114.50 2wvy h SER 407 Ca 0.28 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 2wvy h SER 407 Cb 0.05 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2wvy h SER 407 CO -0.04 0.41 0.15 -0.07 -0.53 0.00 0.00 176.83 176.74 2wvy h LEU 408 N 0.69 0.16 -0.10 2.23 4.07 -1.10 0.23 115.31 121.49 2wvy h LEU 408 Ca 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 2wvy h LEU 408 Cb -0.01 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 2wvy h LEU 408 CO -0.08 0.13 0.02 -0.07 -1.08 0.00 0.00 178.44 177.36 2wvy h LEU 409 N 0.31 0.16 -0.23 1.67 3.38 -1.21 -2.28 115.31 117.12 2wvy h LEU 409 Ca 0.19 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 2wvy h LEU 409 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wvy h LEU 409 CO -0.18 0.38 -0.48 0.58 0.09 0.00 0.00 178.44 178.83 2wvy h VAL 410 N -0.06 1.31 -0.45 1.22 2.07 -0.90 -0.83 116.25 118.60 2wvy h VAL 410 Ca 0.03 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.90 2wvy h VAL 410 Cb 0.28 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2wvy h VAL 410 CO 0.00 0.54 0.21 -0.78 0.02 0.00 0.00 177.57 177.56 2wvy h ASP 411 N 0.45 0.29 -0.55 0.57 3.58 -0.59 -1.19 116.42 118.97 2wvy h ASP 411 Ca 0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2wvy h ASP 411 Cb 1.09 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2wvy h ASP 411 CO 0.11 0.21 0.22 0.00 -2.88 0.00 0.00 179.24 176.89 2wvy h ALA 412 N 1.25 0.71 0.20 -0.78 0.00 -1.32 -3.03 119.26 116.30 2wvy h ALA 412 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wvy h ALA 412 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wvy h ALA 412 CO -0.16 0.32 -0.10 2.35 0.00 0.00 0.00 179.25 181.67 2wvy h TRP 413 N 0.74 -0.25 0.00 0.00 2.91 -0.72 0.12 115.95 118.75 2wvy h TRP 413 Ca 0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2wvy h TRP 413 Cb 0.20 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2wvy h TRP 413 CO 0.01 -0.15 0.00 -1.33 -1.03 0.00 0.00 178.44 175.94 2wvy n MET 414 N -5.20 0.01 -0.19 2.65 2.81 -0.49 -0.50 117.12 116.21 2wvy n MET 414 Ca -0.09 0.44 0.11 0.00 -1.81 0.00 0.00 57.70 56.35 2wvy n MET 414 Cb 0.14 -1.54 0.21 0.00 -0.71 0.00 0.00 33.22 31.32 2wvy n MET 414 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wvy n LYS 415 N -1.57 2.42 -0.55 0.03 5.02 -0.71 -4.78 118.16 118.02 2wvy n LYS 415 Ca 0.01 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 2wvy n LYS 415 Cb 0.05 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2wvy n LYS 415 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wvy n GLY 416 N 1.34 0.74 3.46 0.72 0.00 0.34 -5.02 105.19 106.77 2wvy n GLY 416 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2wvy n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wvy s ILE 417 N -2.32 4.63 -0.39 -0.61 1.01 0.32 -4.96 121.20 118.89 2wvy s ILE 417 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2wvy s ILE 417 Cb 0.00 -4.47 0.15 0.00 0.01 0.00 0.00 42.46 38.16 2wvy s ILE 417 CO 0.00 -1.06 0.27 -1.10 0.00 0.00 0.00 174.94 173.05 2wvy s GLN 418 N 3.28 0.78 0.00 2.79 -0.21 -1.26 -2.97 119.66 122.07 2wvy s GLN 418 Ca 0.20 -1.75 0.05 0.00 0.02 0.00 0.00 55.36 53.88 2wvy s GLN 418 Cb -0.18 -1.45 0.02 0.00 1.00 0.00 0.00 33.01 32.40 2wvy s GLN 418 CO 0.13 -1.29 0.53 0.25 -2.12 0.00 0.00 175.29 172.79 2wvy n THR 419 N 3.45 0.00 -3.84 -0.19 -2.24 -1.26 -4.99 114.28 105.21 2wvy n THR 419 Ca 0.20 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 2wvy n THR 419 Cb 0.42 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 2wvy n THR 419 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wvy s VAL 420 N -0.67 5.24 0.02 2.28 -7.23 -1.26 -4.87 120.40 113.91 2wvy s VAL 420 Ca 0.05 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 2wvy s VAL 420 Cb 0.04 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 2wvy s VAL 420 CO 0.09 -0.31 1.26 -0.62 -0.31 0.00 0.00 175.10 175.21 2wvy s ASP 421 N -3.77 6.99 0.10 4.85 2.15 -1.26 -4.95 116.67 120.77 2wvy s ASP 421 Ca 0.36 2.01 -0.21 0.00 0.43 0.00 0.00 52.55 55.14 2wvy s ASP 421 Cb -0.10 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.86 2wvy s ASP 421 CO 0.30 -0.58 1.69 0.00 -0.17 0.00 0.00 175.17 176.41 2wvy h ALA 422 N 7.22 0.20 -0.73 3.66 0.00 -1.99 0.14 119.26 127.75 2wvy h ALA 422 Ca -0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2wvy h ALA 422 Cb 1.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2wvy h ALA 422 CO 0.86 -0.26 0.32 0.93 0.00 0.00 0.00 179.25 181.09 2wvy h GLU 423 N 0.14 1.08 -0.57 0.00 4.39 -1.99 -1.36 114.58 116.27 2wvy h GLU 423 Ca 0.05 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 2wvy h GLU 423 Cb 0.08 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2wvy h GLU 423 CO -0.01 0.87 0.03 -0.22 -1.16 0.00 0.00 179.01 178.52 2wvy h LYS 424 N 1.05 0.99 -0.22 2.33 1.63 -1.90 -1.43 116.57 119.01 2wvy h LYS 424 Ca 0.25 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2wvy h LYS 424 Cb 0.17 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2wvy h LYS 424 CO -0.02 0.97 0.11 0.00 -3.45 0.00 0.00 179.45 177.05 2wvy h ALA 425 N 0.98 0.28 -0.69 5.00 0.00 -0.37 -0.89 119.26 123.58 2wvy h ALA 425 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wvy h ALA 425 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2wvy h ALA 425 CO 0.02 -0.16 0.24 1.25 0.00 0.00 0.00 179.25 180.60 2wvy h LEU 426 N 0.23 0.98 -0.27 0.00 5.85 -1.22 -0.22 115.31 120.66 2wvy h LEU 426 Ca 0.08 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2wvy h LEU 426 Cb 0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2wvy h LEU 426 CO -0.01 0.92 0.10 -0.08 -0.34 0.00 0.00 178.44 179.02 2wvy h GLU 427 N 1.00 0.21 -0.58 1.25 4.81 -1.02 -1.05 114.58 119.20 2wvy h GLU 427 Ca 0.22 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2wvy h GLU 427 Cb 0.27 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2wvy h GLU 427 CO -0.01 0.14 0.28 0.00 -0.73 0.00 0.00 179.01 178.69 2wvy h ALA 428 N 1.17 0.75 -0.42 2.92 0.00 -0.64 -1.74 119.26 121.30 2wvy h ALA 428 Ca 0.12 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wvy h ALA 428 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2wvy h ALA 428 CO -0.12 0.31 0.22 0.52 0.00 0.00 0.00 179.25 180.18 2wvy h MET 429 N 0.79 0.43 -0.31 0.00 2.86 -0.82 -0.41 114.93 117.47 2wvy h MET 429 Ca 0.20 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 2wvy h MET 429 Cb 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2wvy h MET 429 CO -0.03 0.29 -0.02 0.82 1.06 0.00 0.00 176.91 179.03 2wvy h ILE 430 N 0.44 1.27 -0.52 -1.22 2.04 -1.03 -2.53 117.51 115.96 2wvy h ILE 430 Ca 0.18 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.05 2wvy h ILE 430 Cb 0.06 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2wvy h ILE 430 CO -0.11 0.33 0.34 -0.74 0.00 0.00 0.00 178.15 177.97 2wvy h HIS 431 N 0.35 0.62 0.00 1.37 2.76 -1.12 -0.56 115.15 118.57 2wvy h HIS 431 Ca 0.09 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2wvy h HIS 431 Cb 0.48 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 2wvy h HIS 431 CO 0.04 0.38 -0.11 0.37 -1.30 0.00 0.00 177.93 177.31 2wvy h GLN 432 N 0.66 0.00 0.00 5.26 5.75 -0.64 -2.04 115.11 124.10 2wvy h GLN 432 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2wvy h GLN 432 Cb -0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.53 2wvy h GLN 432 CO -0.05 0.11 -1.07 0.25 -2.65 0.00 0.00 178.83 175.42 2wvy n THR 433 N -3.63 0.01 -0.84 2.39 -2.24 -0.33 -2.51 114.28 107.14 2wvy n THR 433 Ca -0.02 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 2wvy n THR 433 Cb 0.23 0.74 0.20 0.00 -2.10 0.00 0.00 70.33 69.40 2wvy n THR 433 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wvy n GLN 434 N -1.63 2.51 -3.46 -0.78 1.13 -0.56 -4.82 117.38 109.77 2wvy n GLN 434 Ca 0.03 -2.59 -0.10 0.00 -1.94 0.00 0.00 57.00 52.40 2wvy n GLN 434 Cb 0.37 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 2wvy n GLN 434 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wvy s ALA 435 N -2.48 -1.72 -0.01 -1.58 0.00 -0.95 -5.00 121.76 110.03 2wvy s ALA 435 Ca 0.34 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2wvy s ALA 435 Cb 0.27 0.64 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2wvy s ALA 435 CO 0.08 -0.73 0.07 0.50 0.00 0.00 0.00 175.76 175.68 2wvy s ARG 436 N -3.42 0.22 0.25 0.00 3.52 -1.26 -0.74 118.95 117.52 2wvy s ARG 436 Ca 0.03 -0.14 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 2wvy s ARG 436 Cb -0.01 0.09 -0.14 0.00 -1.56 0.00 0.00 34.95 33.33 2wvy s ARG 436 CO -0.11 -0.04 1.27 1.58 -0.81 0.00 0.00 175.30 177.19 2wvy n HIS 437 N 2.43 1.87 0.14 5.12 -0.00 -0.25 -4.88 115.22 119.64 2wvy n HIS 437 Ca -0.17 0.55 0.05 0.00 -0.00 0.00 0.00 57.72 58.15 2wvy n HIS 437 Cb 0.58 -2.38 0.51 0.00 -0.00 0.00 0.00 29.99 28.69 2wvy n HIS 437 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wvy h ALA 438 N 3.36 1.79 0.00 1.57 0.00 -2.00 -3.32 119.26 120.66 2wvy h ALA 438 Ca -0.44 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2wvy h ALA 438 Cb 1.30 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2wvy h ALA 438 CO 0.70 0.17 -1.84 0.39 0.00 0.00 0.00 179.25 178.67 2wvy n GLU 439 N -4.46 0.92 -3.69 0.00 -0.58 -1.26 -4.95 120.64 106.62 2wvy n GLU 439 Ca -0.00 0.06 -0.39 0.00 -0.42 0.00 0.00 57.16 56.41 2wvy n GLU 439 Cb 0.12 -1.30 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 2wvy n GLU 439 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2wvy s ILE 440 N -2.29 3.88 0.35 -3.67 1.01 -1.25 -4.98 121.20 114.25 2wvy s ILE 440 Ca -0.16 -1.44 0.08 0.00 0.00 0.00 0.00 60.65 59.13 2wvy s ILE 440 Cb 0.05 -3.37 0.32 0.00 0.01 0.00 0.00 42.46 39.46 2wvy s ILE 440 CO 0.39 -0.43 1.87 0.00 0.00 0.00 0.00 174.94 176.77 2wvy h ALA 441 N 8.28 1.78 0.00 9.38 0.00 -1.93 -1.75 119.26 135.02 2wvy h ALA 441 Ca -0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wvy h ALA 441 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2wvy h ALA 441 CO 0.69 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 2wvy n SER 442 N -4.57 0.00 -4.38 0.00 3.41 -1.26 -3.93 113.62 102.89 2wvy n SER 442 Ca 0.17 -0.68 -0.37 0.00 -0.26 0.00 0.00 58.87 57.74 2wvy n SER 442 Cb 0.44 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 2wvy n SER 442 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wvy s VAL 443 N -2.11 4.08 0.00 -3.33 1.01 -0.66 -4.64 120.40 114.75 2wvy s VAL 443 Ca 0.37 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2wvy s VAL 443 Cb 0.18 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2wvy s VAL 443 CO 0.32 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2wvy n GLY 444 N 4.89 -0.10 2.93 4.51 0.00 -1.26 -1.09 105.19 115.06 2wvy n GLY 444 Ca -0.15 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 2wvy n GLY 444 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wvy s ARG 445 N 0.00 1.35 0.13 1.61 3.52 0.08 -4.81 118.95 120.84 2wvy s ARG 445 Ca 0.00 -1.44 -0.31 0.00 -0.13 0.00 0.00 55.73 53.85 2wvy s ARG 445 Cb 0.00 -2.73 -0.09 0.00 -1.56 0.00 0.00 34.95 30.57 2wvy s ARG 445 CO 0.00 -0.86 1.55 0.34 -0.81 0.00 0.00 175.30 175.53 2wvy s ASP 446 N 1.21 6.63 -0.21 -2.12 2.15 -1.25 -2.62 116.67 120.45 2wvy s ASP 446 Ca 0.06 2.53 0.00 0.00 0.43 0.00 0.00 52.55 55.57 2wvy s ASP 446 Cb -0.19 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2wvy s ASP 446 CO -0.12 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 2wvy n GLY 447 N 3.76 0.42 0.25 2.66 0.00 -1.26 -4.95 105.19 106.06 2wvy n GLY 447 Ca 0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 2wvy n GLY 447 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wvy h PHE 448 N 0.00 0.47 0.08 1.61 -5.15 -1.83 -2.52 116.94 109.60 2wvy h PHE 448 Ca -0.05 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.65 2wvy h PHE 448 Cb 0.58 -0.13 -0.01 0.00 0.22 0.00 0.00 35.95 36.61 2wvy h PHE 448 CO 0.06 0.59 -0.09 0.93 -2.00 0.00 0.00 178.31 177.80 2wvy h GLU 449 N 0.40 -0.19 -0.27 6.09 3.07 -1.92 -1.05 114.58 120.71 2wvy h GLU 449 Ca 0.07 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2wvy h GLU 449 Cb 0.53 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 2wvy h GLU 449 CO 0.03 -0.13 0.04 1.88 -1.40 0.00 0.00 179.01 179.44 2wvy h TYR 450 N -0.20 0.06 -0.44 4.33 0.05 -1.83 -2.10 116.97 116.84 2wvy h TYR 450 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2wvy h TYR 450 Cb 0.19 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 2wvy h TYR 450 CO -0.11 0.00 0.29 -0.92 -1.05 0.00 0.00 178.16 176.37 2wvy h TYR 451 N 0.14 0.55 -0.15 4.88 3.20 -1.18 1.28 116.97 125.69 2wvy h TYR 451 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2wvy h TYR 451 Cb 0.14 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2wvy h TYR 451 CO -0.18 0.35 0.10 -0.44 -1.64 0.00 0.00 178.16 176.35 2wvy h ASP 452 N 0.59 0.16 -0.31 -2.11 3.32 -1.10 0.48 116.42 117.45 2wvy h ASP 452 Ca 0.16 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 2wvy h ASP 452 Cb -0.07 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2wvy h ASP 452 CO -0.03 0.12 -0.44 0.50 -1.72 0.00 0.00 179.24 177.66 2wvy h LYS 453 N 0.20 0.85 0.00 3.56 1.63 -0.63 -3.37 116.57 118.81 2wvy h LYS 453 Ca 0.06 -0.50 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2wvy h LYS 453 Cb -0.02 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2wvy h LYS 453 CO -0.02 1.14 -1.70 1.28 -3.45 0.00 0.00 179.45 176.69 2wvy n LEU 454 N -4.09 0.01 0.00 5.20 4.77 0.43 -4.99 117.00 118.34 2wvy n LEU 454 Ca -0.04 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2wvy n LEU 454 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2wvy n LEU 454 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2wvy n GLY 455 N 1.61 0.58 3.61 -0.72 0.00 0.16 -5.02 105.19 105.40 2wvy n GLY 455 Ca -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 2wvy n GLY 455 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wvy s TYR 456 N -2.00 -0.17 -0.18 1.61 -0.85 -1.23 -4.74 117.35 109.78 2wvy s TYR 456 Ca 0.00 0.03 -0.14 0.00 -0.52 0.00 0.00 57.07 56.45 2wvy s TYR 456 Cb 0.00 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 2wvy s TYR 456 CO 0.00 -0.44 0.30 0.08 -1.52 0.00 0.00 175.55 173.97 2wvy s VAL 457 N -2.80 5.28 0.31 -3.49 1.01 -1.26 -3.18 120.40 116.28 2wvy s VAL 457 Ca 0.10 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 2wvy s VAL 457 Cb 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 2wvy s VAL 457 CO -0.04 0.35 0.68 -2.16 0.00 0.00 0.00 175.10 173.92 2wvy s PRO 458 N 0.77 3.88 -0.21 2.72 0.04 -1.26 -4.43 135.00 136.50 2wvy s PRO 458 Ca 0.16 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 2wvy s PRO 458 Cb -0.13 -2.50 0.06 0.00 0.04 0.00 0.00 34.50 31.97 2wvy s PRO 458 CO 0.05 0.17 0.01 -0.47 0.04 0.00 0.00 177.00 176.80 2wvy s TYR 459 N -2.02 1.42 0.00 0.56 5.04 -0.05 -1.54 117.35 120.76 2wvy s TYR 459 Ca 0.51 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 2wvy s TYR 459 Cb -0.11 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 41.01 2wvy s TYR 459 CO 0.22 -0.66 0.97 -0.35 -1.34 0.00 0.00 175.55 174.39 2wvy n PRO 460 N 4.94 2.84 -0.00 4.97 -0.04 -1.26 -3.73 135.00 142.71 2wvy n PRO 460 Ca -0.09 -1.45 -0.01 0.00 -0.04 0.00 0.00 63.50 61.91 2wvy n PRO 460 Cb 0.46 -0.97 0.27 0.00 -0.04 0.00 0.00 33.50 33.22 2wvy n PRO 460 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wvy h GLU 461 N 0.00 0.53 -4.04 0.54 3.07 -1.92 -3.41 114.58 109.34 2wvy h GLU 461 Ca 0.00 -0.13 -0.42 0.00 -0.50 0.00 0.00 59.36 58.31 2wvy h GLU 461 Cb 0.53 -0.07 -0.34 0.00 -0.84 0.00 0.00 28.75 28.02 2wvy h GLU 461 CO 0.00 0.59 -0.78 0.08 -1.40 0.00 0.00 179.01 177.50 2wvy s VAL 462 N -4.88 0.59 0.37 3.13 1.01 -0.59 -5.07 120.40 114.96 2wvy s VAL 462 Ca -0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2wvy s VAL 462 Cb 0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 36.38 35.81 2wvy s VAL 462 CO 0.77 0.24 1.44 -2.84 0.00 0.00 0.00 175.10 174.71 2wvy s PRO 463 N 1.02 4.14 -1.70 2.72 0.02 -1.26 -2.88 135.00 137.06 2wvy s PRO 463 Ca -0.09 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 2wvy s PRO 463 Cb -0.14 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2wvy s PRO 463 CO -0.00 -0.47 0.16 0.39 -0.33 0.00 0.00 177.00 176.74 2wvy n GLU 464 N 0.49 -2.48 -0.11 5.54 1.02 -0.41 -4.88 120.64 119.80 2wvy n GLU 464 Ca 0.01 0.97 0.03 0.00 -0.02 0.00 0.00 57.16 58.15 2wvy n GLU 464 Cb 0.40 -5.66 0.34 0.00 -0.02 0.00 0.00 31.44 26.50 2wvy n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wvy h ALA 465 N 0.98 1.62 -0.02 0.62 0.00 -1.35 -1.70 119.26 119.40 2wvy h ALA 465 Ca -0.50 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2wvy h ALA 465 Cb 1.36 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2wvy h ALA 465 CO 0.57 0.34 -0.37 1.15 0.00 0.00 0.00 179.25 180.95 2wvy h THR 466 N 0.77 1.48 -0.93 0.00 2.02 -1.34 -1.07 112.91 113.83 2wvy h THR 466 Ca 0.23 -1.91 0.03 0.00 0.77 0.00 0.00 66.41 65.53 2wvy h THR 466 Cb -0.03 2.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 2wvy h THR 466 CO -0.05 0.54 0.61 0.00 0.37 0.00 0.00 175.52 176.98 2wvy h ALA 467 N 0.33 1.23 -0.65 6.16 0.00 -1.30 -1.63 119.26 123.39 2wvy h ALA 467 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wvy h ALA 467 Cb 1.08 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2wvy h ALA 467 CO 0.07 0.48 0.43 0.87 0.00 0.00 0.00 179.25 181.10 2wvy h LYS 468 N 1.18 0.85 -0.60 0.00 1.57 -1.27 -1.91 116.57 116.38 2wvy h LYS 468 Ca 0.37 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2wvy h LYS 468 Cb 0.00 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 2wvy h LYS 468 CO -0.12 0.56 0.39 1.15 -0.57 0.00 0.00 179.45 180.87 2wvy h THR 469 N 0.88 1.14 -0.51 -0.16 2.02 -0.30 0.20 112.91 116.18 2wvy h THR 469 Ca 0.24 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 2wvy h THR 469 Cb -0.09 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2wvy h THR 469 CO -0.06 0.15 -0.18 -0.07 0.37 0.00 0.00 175.52 175.73 2wvy h LEU 470 N 0.80 1.03 -0.71 2.58 3.38 -1.16 -1.00 115.31 120.23 2wvy h LEU 470 Ca 0.22 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2wvy h LEU 470 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2wvy h LEU 470 CO -0.06 1.17 -0.22 -0.33 0.09 0.00 0.00 178.44 179.10 2wvy h GLU 471 N 0.88 0.75 -0.32 1.13 4.39 -1.09 -2.92 114.58 117.41 2wvy h GLU 471 Ca 0.12 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 2wvy h GLU 471 Cb 0.75 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2wvy h GLU 471 CO 0.06 0.91 0.03 1.88 -1.16 0.00 0.00 179.01 180.72 2wvy h TYR 472 N 0.66 0.58 -0.95 4.33 0.05 -0.65 -1.45 116.97 119.53 2wvy h TYR 472 Ca 0.09 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.83 2wvy h TYR 472 Cb 0.72 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 2wvy h TYR 472 CO 0.04 0.64 0.61 0.00 -1.05 0.00 0.00 178.16 178.40 2wvy h ALA 473 N 0.87 1.28 -0.26 3.88 0.00 -1.17 0.20 119.26 124.05 2wvy h ALA 473 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wvy h ALA 473 Cb 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wvy h ALA 473 CO 0.01 0.45 0.10 -0.92 0.00 0.00 0.00 179.25 178.90 2wvy h TYR 474 N 1.16 0.40 -0.56 0.00 3.20 -1.36 -1.76 116.97 118.05 2wvy h TYR 474 Ca 0.39 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.23 2wvy h TYR 474 Cb 0.06 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2wvy h TYR 474 CO -0.01 0.41 0.35 0.00 -1.64 0.00 0.00 178.16 177.27 2wvy h ALA 475 N 0.94 0.71 -0.90 1.82 0.00 -0.32 -0.91 119.26 120.61 2wvy h ALA 475 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wvy h ALA 475 Cb 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2wvy h ALA 475 CO -0.01 0.18 0.51 -0.44 0.00 0.00 0.00 179.25 179.49 2wvy h ASP 476 N 0.76 1.11 -0.98 0.00 3.32 -0.59 0.24 116.42 120.28 2wvy h ASP 476 Ca 0.20 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.22 2wvy h ASP 476 Cb -0.05 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.15 2wvy h ASP 476 CO -0.04 0.88 0.63 -0.25 -1.72 0.00 0.00 179.24 178.74 2wvy h TRP 477 N 1.26 1.17 -0.70 4.55 7.01 -0.81 0.40 115.95 128.84 2wvy h TRP 477 Ca 0.32 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.31 2wvy h TRP 477 Cb 0.00 -0.39 -0.03 0.00 -2.10 0.00 0.00 29.16 26.65 2wvy h TRP 477 CO 0.01 0.62 0.26 0.00 -2.79 0.00 0.00 178.44 176.54 2wvy h ILE 479 N 1.00 1.26 -0.18 0.00 2.04 -0.31 -1.85 117.51 119.47 2wvy h ILE 479 Ca 0.23 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2wvy h ILE 479 Cb 0.23 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2wvy h ILE 479 CO -0.02 0.40 0.06 0.00 0.00 0.00 0.00 178.15 178.59 2wvy h ALA 480 N 1.34 0.24 -0.67 1.87 0.00 -0.54 -0.64 119.26 120.86 2wvy h ALA 480 Ca 0.06 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wvy h ALA 480 Cb 0.66 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2wvy h ALA 480 CO 0.05 -0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.51 2wvy h ARG 481 N 0.13 0.64 0.59 0.00 2.47 -1.10 0.94 114.38 118.05 2wvy h ARG 481 Ca 0.06 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2wvy h ARG 481 Cb 0.21 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2wvy h ARG 481 CO -0.00 0.42 -0.28 0.35 0.56 0.00 0.00 179.97 181.02 2wvy h PHE 482 N 0.66 -0.73 -0.66 3.04 3.57 -1.14 -1.88 116.94 119.80 2wvy h PHE 482 Ca 0.31 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.90 2wvy h PHE 482 Cb 0.22 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 2wvy h PHE 482 CO -0.09 -0.41 0.24 0.00 -2.23 0.00 0.00 178.31 175.82 2wvy h ALA 483 N -0.59 0.87 -0.59 2.41 0.00 -0.91 -2.03 119.26 118.41 2wvy h ALA 483 Ca -0.08 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wvy h ALA 483 Cb 0.65 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2wvy h ALA 483 CO 0.13 -0.21 0.35 1.49 0.00 0.00 0.00 179.25 181.02 2wvy h GLU 484 N 0.41 0.67 0.00 0.00 4.81 -0.68 -1.47 114.58 118.32 2wvy h GLU 484 Ca 0.34 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2wvy h GLU 484 Cb 0.47 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2wvy h GLU 484 CO -0.35 0.44 -0.07 0.66 -0.73 0.00 0.00 179.01 178.96 2wvy h SER 485 N 0.69 0.00 1.21 1.04 4.64 -0.67 -1.33 113.55 119.13 2wvy h SER 485 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2wvy h SER 485 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2wvy h SER 485 CO -0.11 0.07 -0.04 0.18 -0.87 0.00 0.00 176.83 176.06 2wvy n LEU 486 N -3.19 0.42 0.00 5.97 4.77 -0.80 -4.92 117.00 119.25 2wvy n LEU 486 Ca 0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2wvy n LEU 486 Cb 0.36 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2wvy n LEU 486 CO 0.30 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2wvy n GLY 487 N 1.41 0.65 3.50 -0.72 0.00 -0.50 -5.02 105.19 104.51 2wvy n GLY 487 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2wvy n GLY 487 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvy s LYS 488 N -0.71 3.79 0.22 1.61 1.02 -0.62 -4.85 119.74 120.20 2wvy s LYS 488 Ca 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 55.97 54.13 2wvy s LYS 488 Cb 0.00 -5.15 0.20 0.00 -0.52 0.00 0.00 37.83 32.37 2wvy s LYS 488 CO 0.00 -1.94 1.53 0.37 -0.92 0.00 0.00 175.35 174.40 2wvy h GLN 489 N 8.38 0.29 -0.21 1.68 5.75 -1.89 -1.98 115.11 127.12 2wvy h GLN 489 Ca 0.26 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2wvy h GLN 489 Cb 0.96 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 2wvy h GLN 489 CO 1.27 0.82 0.00 -0.44 -2.65 0.00 0.00 178.83 177.83 2wvy h ASP 490 N 0.21 0.36 -0.43 -0.69 3.32 -1.97 -0.05 116.42 117.18 2wvy h ASP 490 Ca -0.01 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 2wvy h ASP 490 Cb 1.14 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2wvy h ASP 490 CO 0.10 0.58 0.16 0.40 -1.72 0.00 0.00 179.24 178.76 2wvy h ILE 491 N 0.14 1.20 -0.49 0.35 2.04 -1.96 -1.22 117.51 117.57 2wvy h ILE 491 Ca 0.06 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.36 2wvy h ILE 491 Cb 0.39 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2wvy h ILE 491 CO 0.01 0.23 0.14 0.00 0.00 0.00 0.00 178.15 178.53 2wvy h ALA 492 N 1.01 0.58 -0.79 1.87 0.00 -1.26 -1.82 119.26 118.85 2wvy h ALA 492 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2wvy h ALA 492 Cb 0.20 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2wvy h ALA 492 CO -0.01 -0.27 0.41 -0.44 0.00 0.00 0.00 179.25 178.94 2wvy h ASP 493 N 0.29 0.99 -0.39 0.00 3.32 -0.67 0.27 116.42 120.23 2wvy h ASP 493 Ca 0.24 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2wvy h ASP 493 Cb 0.30 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2wvy h ASP 493 CO -0.29 0.81 0.18 1.56 -1.72 0.00 0.00 179.24 179.78 2wvy h GLN 494 N 1.11 0.35 0.04 3.56 4.20 -0.59 -2.05 115.11 121.72 2wvy h GLN 494 Ca 0.28 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.71 2wvy h GLN 494 Cb 0.06 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.77 2wvy h GLN 494 CO -0.04 0.23 -1.05 1.88 -0.67 0.00 0.00 178.83 179.18 2wvy h TYR 495 N 0.36 0.79 -0.43 2.96 0.05 -0.53 -2.77 116.97 117.39 2wvy h TYR 495 Ca 0.17 -0.45 0.10 0.00 0.05 0.00 0.00 58.73 58.59 2wvy h TYR 495 Cb 0.10 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2wvy h TYR 495 CO -0.11 1.29 0.30 1.88 -1.05 0.00 0.00 178.16 180.46 2wvy h TYR 496 N 0.27 0.17 -0.74 4.88 0.05 -0.50 -0.51 116.97 120.58 2wvy h TYR 496 Ca -0.12 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.77 2wvy h TYR 496 Cb 1.71 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 39.35 2wvy h TYR 496 CO 0.08 0.08 0.49 1.96 -1.05 0.00 0.00 178.16 179.72 2wvy h GLN 497 N 0.16 0.58 0.00 4.88 1.08 -1.07 -2.28 115.11 118.46 2wvy h GLN 497 Ca 0.20 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2wvy h GLN 497 Cb 0.59 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2wvy h GLN 497 CO -0.03 0.38 -0.79 0.87 -0.95 0.00 0.00 178.83 178.31 2wvy h LYS 498 N 0.59 0.00 -0.99 1.46 1.57 -1.16 -3.38 116.57 114.67 2wvy h LYS 498 Ca 0.35 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.37 2wvy h LYS 498 Cb 0.54 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.77 2wvy h LYS 498 CO -0.12 0.00 0.65 0.00 -0.57 0.00 0.00 179.45 179.40 2wvy h ALA 499 N 2.07 2.23 -0.33 3.86 0.00 -0.97 0.23 119.26 126.34 2wvy h ALA 499 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wvy h ALA 499 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2wvy h ALA 499 CO 0.00 -0.58 0.00 -2.30 0.00 0.00 0.00 179.25 176.37 2wvy n PRO 500 N -4.57 1.87 0.30 0.00 -0.02 -1.26 -4.28 135.00 127.04 2wvy n PRO 500 Ca 0.23 -1.24 0.17 0.00 -2.02 0.00 0.00 63.50 60.64 2wvy n PRO 500 Cb 0.81 -1.31 0.85 0.00 -0.02 0.00 0.00 33.50 33.82 2wvy n PRO 500 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2wvy h ASN 501 N 1.96 0.00 -0.13 2.55 2.35 -0.80 0.56 115.58 122.08 2wvy h ASN 501 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2wvy h ASN 501 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2wvy h ASN 501 CO 0.02 0.00 0.12 0.10 -1.65 0.00 0.00 177.43 176.02 2wvy h TYR 502 N 0.00 0.00 0.00 1.19 -0.00 -1.82 -0.17 116.97 116.18 2wvy h TYR 502 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.74 2wvy h TYR 502 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.38 2wvy h TYR 502 CO 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 178.16 178.08 2wvy h ARG 503 N 0.00 0.00 0.00 0.10 3.08 -1.23 -3.07 114.38 113.26 2wvy h ARG 503 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wvy h ARG 503 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wvy h ARG 503 CO -0.00 0.08 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 2wvy n ASN 504 N -3.68 0.63 -0.19 7.04 3.02 -0.08 -2.68 115.26 119.33 2wvy n ASN 504 Ca -0.02 0.63 0.02 0.00 -0.03 0.00 0.00 54.58 55.17 2wvy n ASN 504 Cb 0.19 -0.77 0.04 0.00 -0.61 0.00 0.00 39.78 38.64 2wvy n ASN 504 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wvy n LEU 505 N -2.17 2.22 -4.72 3.41 4.77 -1.16 -4.98 117.00 114.37 2wvy n LEU 505 Ca 0.03 -1.94 -0.42 0.00 -0.03 0.00 0.00 56.01 53.66 2wvy n LEU 505 Cb 0.27 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2wvy n LEU 505 CO 0.22 0.55 0.73 -0.47 -1.33 0.00 0.00 177.39 177.09 2wvy s TYR 506 N -0.96 3.66 -0.44 -1.77 5.04 -1.09 -0.67 117.35 121.12 2wvy s TYR 506 Ca 0.07 1.65 -0.09 0.00 -2.44 0.00 0.00 57.07 56.26 2wvy s TYR 506 Cb 0.04 -3.17 0.10 0.00 0.35 0.00 0.00 41.96 39.27 2wvy s TYR 506 CO 0.05 -0.24 0.30 -0.47 -1.34 0.00 0.00 175.55 173.85 2wvy s TYR 507 N 0.51 3.39 0.19 4.97 6.14 -0.11 -4.92 117.35 127.53 2wvy s TYR 507 Ca 0.51 -1.75 -0.09 0.00 0.64 0.00 0.00 57.07 56.38 2wvy s TYR 507 Cb -0.24 -3.23 0.11 0.00 0.42 0.00 0.00 41.96 39.02 2wvy s TYR 507 CO 0.30 -0.93 1.74 -1.35 0.64 0.00 0.00 175.55 175.95 2wvy h PRO 508 N 8.40 1.07 -0.37 4.97 0.11 -1.95 0.14 132.00 144.38 2wvy h PRO 508 Ca -0.21 -0.22 0.06 0.00 0.11 0.00 0.00 66.00 65.74 2wvy h PRO 508 Cb 1.08 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 2wvy h PRO 508 CO 0.80 0.91 0.25 0.93 -0.21 0.00 0.00 178.00 180.69 2wvy h GLU 509 N 1.02 0.22 0.00 1.05 3.07 -1.97 -3.10 114.58 114.87 2wvy h GLU 509 Ca 0.23 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2wvy h GLU 509 Cb 0.27 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2wvy h GLU 509 CO -0.01 0.15 -1.75 0.72 -1.40 0.00 0.00 179.01 176.72 2wvy n HIS 510 N -4.47 0.00 -0.66 4.33 8.25 -0.83 -5.03 115.22 116.80 2wvy n HIS 510 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2wvy n HIS 510 Cb 0.28 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2wvy n HIS 510 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wvy n GLY 511 N 1.63 0.63 3.14 -1.41 0.00 0.41 -5.06 105.19 104.54 2wvy n GLY 511 Ca -0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2wvy n GLY 511 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wvy s PHE 512 N -2.00 0.75 0.42 1.61 0.08 -1.22 -4.94 117.98 112.68 2wvy s PHE 512 Ca 0.00 -1.06 -0.25 0.00 0.12 0.00 0.00 56.93 55.74 2wvy s PHE 512 Cb 0.00 -0.47 -0.08 0.00 -0.57 0.00 0.00 43.02 41.90 2wvy s PHE 512 CO 0.00 -0.33 1.30 -1.64 -0.10 0.00 0.00 175.22 174.45 2wvy s MET 513 N -3.92 3.89 0.00 0.44 -1.94 -1.26 -0.94 119.30 115.57 2wvy s MET 513 Ca 0.13 2.14 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 2wvy s MET 513 Cb 0.07 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.21 2wvy s MET 513 CO -0.05 -0.55 0.00 1.87 -0.01 0.00 0.00 175.02 176.28 2wvy n TRP 514 N 0.00 0.00 -3.94 -0.03 -0.00 0.15 -4.76 117.44 108.86 2wvy n TRP 514 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.45 2wvy n TRP 514 Cb 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.65 2wvy n TRP 514 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2wvy s THR 515 N 0.36 0.13 0.06 5.87 -1.32 -1.26 -4.83 115.64 114.66 2wvy s THR 515 Ca 0.00 -1.06 0.06 0.00 -1.21 0.00 0.00 61.69 59.48 2wvy s THR 515 Cb 0.00 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 2wvy s THR 515 CO 0.00 -0.58 -0.16 -0.54 -2.21 0.00 0.00 174.62 171.13 2wvy s LYS 516 N -2.33 0.97 0.48 7.08 1.02 -1.26 -1.66 119.74 124.04 2wvy s LYS 516 Ca -0.07 -0.92 -0.07 0.00 0.02 0.00 0.00 55.97 54.92 2wvy s LYS 516 Cb -0.03 -1.04 0.11 0.00 -0.52 0.00 0.00 37.83 36.35 2wvy s LYS 516 CO -0.03 0.25 0.66 -0.40 -0.92 0.00 0.00 175.35 174.90 2wvy n ASP 517 N 1.51 0.20 0.28 2.83 5.68 -0.67 -0.87 116.55 125.51 2wvy n ASP 517 Ca -0.19 -1.33 0.14 0.00 -0.50 0.00 0.00 54.79 52.90 2wvy n ASP 517 Cb 0.54 -0.49 0.80 0.00 -1.14 0.00 0.00 41.12 40.84 2wvy n ASP 517 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wvy h ALA 518 N -1.58 1.37 -0.03 2.12 0.00 -1.90 -1.32 119.26 117.92 2wvy h ALA 518 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wvy h ALA 518 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wvy h ALA 518 CO 0.17 0.09 0.00 0.36 0.00 0.00 0.00 179.25 179.87 2wvy n LYS 519 N -3.71 1.73 -0.28 0.00 -0.00 -1.26 -4.92 118.16 109.71 2wvy n LYS 519 Ca -0.02 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.22 2wvy n LYS 519 Cb 0.18 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 2wvy n LYS 519 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wvy n GLY 520 N 1.19 0.66 3.71 2.58 0.00 -0.50 -5.06 105.19 107.77 2wvy n GLY 520 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wvy n GLY 520 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wvy s ASN 521 N -2.99 7.08 0.35 1.61 -0.87 -1.26 -4.75 114.94 114.11 2wvy s ASN 521 Ca 0.00 1.97 -0.29 0.00 -1.57 0.00 0.00 52.86 52.97 2wvy s ASN 521 Cb 0.00 -2.57 -0.11 0.00 -0.02 0.00 0.00 41.25 38.54 2wvy s ASN 521 CO 0.00 -0.49 1.51 0.79 -2.57 0.00 0.00 177.10 176.34 2wvy n TRP 522 N 4.22 2.90 -1.90 2.20 7.02 -1.26 -1.68 117.44 128.94 2wvy n TRP 522 Ca 0.09 0.39 -0.38 0.00 -1.02 0.00 0.00 57.50 56.58 2wvy n TRP 522 Cb 0.46 -2.55 0.02 0.00 -2.42 0.00 0.00 31.31 26.83 2wvy n TRP 522 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2wvy s ARG 523 N -1.53 3.40 0.94 -0.99 3.52 -0.66 -4.92 118.95 118.70 2wvy s ARG 523 Ca 0.57 2.16 -0.12 0.00 -0.13 0.00 0.00 55.73 58.21 2wvy s ARG 523 Cb -0.49 -2.38 0.16 0.00 -1.56 0.00 0.00 34.95 30.68 2wvy s ARG 523 CO 0.58 -0.96 1.10 -0.51 -0.81 0.00 0.00 175.30 174.71 2wvy s ASP 524 N -0.96 3.14 -0.79 -2.12 1.01 -1.26 -4.49 116.67 111.20 2wvy s ASP 524 Ca 0.67 1.22 -0.00 0.00 0.71 0.00 0.00 52.55 55.16 2wvy s ASP 524 Cb -0.38 -1.88 -0.00 0.00 1.01 0.00 0.00 42.92 41.66 2wvy s ASP 524 CO 0.46 -2.81 0.65 0.54 0.21 0.00 0.00 175.17 174.22 2wvy n ARG 525 N -3.97 -1.44 -1.73 8.23 5.12 -1.26 -4.88 116.66 116.73 2wvy n ARG 525 Ca 0.06 1.10 -0.42 0.00 -1.93 0.00 0.00 57.85 56.66 2wvy n ARG 525 Cb 0.57 -3.91 -0.00 0.00 -1.16 0.00 0.00 32.46 27.95 2wvy n ARG 525 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wvy n PHE 526 N -2.23 2.61 -3.26 -1.55 7.35 -1.26 -4.99 117.46 114.13 2wvy n PHE 526 Ca -0.17 0.49 -0.03 0.00 -0.76 0.00 0.00 57.45 56.98 2wvy n PHE 526 Cb 0.60 -2.48 -0.05 0.00 0.35 0.00 0.00 39.48 37.91 2wvy n PHE 526 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wvy s ASP 527 N -0.17 -0.58 0.52 -2.13 2.15 -1.26 -5.03 116.67 110.17 2wvy s ASP 527 Ca 0.55 0.58 0.29 0.00 0.43 0.00 0.00 52.55 54.40 2wvy s ASP 527 Cb -0.53 1.65 1.44 0.00 -0.30 0.00 0.00 42.92 45.18 2wvy s ASP 527 CO 0.62 -0.28 2.05 0.00 -0.17 0.00 0.00 175.17 177.39 2wvy h ALA 528 N 8.09 1.19 -0.08 3.66 0.00 -1.96 -2.62 119.26 127.55 2wvy h ALA 528 Ca -0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wvy h ALA 528 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wvy h ALA 528 CO 0.26 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.91 2wvy n THR 529 N -3.51 0.08 -2.36 0.00 -2.24 -1.26 -2.10 114.28 102.88 2wvy n THR 529 Ca -0.01 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 2wvy n THR 529 Cb 0.26 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 2wvy n THR 529 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wvy s GLU 530 N -1.92 3.97 0.66 -0.78 2.12 -0.99 -4.82 118.70 116.94 2wvy s GLU 530 Ca 0.33 1.43 -0.11 0.00 0.36 0.00 0.00 54.97 56.98 2wvy s GLU 530 Cb 0.20 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 2wvy s GLU 530 CO 0.31 -1.05 1.05 -1.58 -0.54 0.00 0.00 175.26 173.45 2wvy s TRP 531 N 4.31 3.40 0.00 5.30 0.52 -1.26 -4.36 118.94 126.85 2wvy s TRP 531 Ca 0.59 1.29 0.00 0.00 0.02 0.00 0.00 56.10 58.00 2wvy s TRP 531 Cb -0.20 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 2wvy s TRP 531 CO 0.22 -0.97 0.00 0.41 0.02 0.00 0.00 176.95 176.64 2wvy n GLY 532 N -2.53 -1.59 7.00 0.98 0.00 -1.21 -4.97 105.19 102.88 2wvy n GLY 532 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2wvy n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 533 N 0.00 2.72 0.19 -0.02 0.00 -1.26 -1.42 105.19 105.41 2wvy n GLY 533 Ca 0.00 0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.47 2wvy n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wvy h PRO 534 N 0.00 0.00 -6.19 1.61 0.13 -1.90 -1.09 132.00 124.55 2wvy h PRO 534 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2wvy h PRO 534 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2wvy h PRO 534 CO 0.00 0.00 -0.50 -0.06 -0.23 0.00 0.00 178.00 177.21 2wvy s PHE 535 N -3.48 2.96 -0.20 1.56 0.08 -0.50 -1.14 117.98 117.25 2wvy s PHE 535 Ca 0.02 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.86 2wvy s PHE 535 Cb 0.09 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 2wvy s PHE 535 CO 0.44 0.37 -0.17 0.99 -0.10 0.00 0.00 175.22 176.74 2wvy s THR 536 N -2.24 2.17 -1.47 0.64 2.01 -1.26 -4.19 115.64 111.29 2wvy s THR 536 Ca 0.37 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2wvy s THR 536 Cb -0.06 -1.99 0.06 0.00 0.01 0.00 0.00 72.50 70.52 2wvy s THR 536 CO 0.25 0.42 0.86 -0.62 -0.69 0.00 0.00 174.62 174.84 2wvy n GLU 537 N 4.60 -5.14 -3.63 4.92 -0.58 -1.26 -4.83 120.64 114.72 2wvy n GLU 537 Ca -0.19 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 2wvy n GLU 537 Cb 0.48 -5.33 0.00 0.00 -0.57 0.00 0.00 31.44 26.03 2wvy n GLU 537 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wvy n GLY 538 N -1.67 -2.22 3.70 0.62 0.00 -1.26 -4.91 105.19 99.45 2wvy n GLY 538 Ca -0.07 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 2wvy n GLY 538 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wvy s SER 539 N -0.23 3.77 0.47 1.61 1.04 -1.26 -3.29 113.70 115.81 2wvy s SER 539 Ca 0.00 -1.72 0.18 0.00 0.48 0.00 0.00 55.95 54.89 2wvy s SER 539 Cb 0.00 0.67 1.18 0.00 0.10 0.00 0.00 66.02 67.97 2wvy s SER 539 CO 0.00 -0.95 1.99 -1.28 0.98 0.00 0.00 173.24 173.97 2wvy h SER 540 N 1.41 0.22 -0.88 7.02 0.87 -1.72 -0.80 113.55 119.67 2wvy h SER 540 Ca -0.41 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.31 2wvy h SER 540 Cb 1.31 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 2wvy h SER 540 CO 0.67 0.13 0.48 -0.25 -0.53 0.00 0.00 176.83 177.32 2wvy h TRP 541 N 0.24 0.84 0.01 2.24 2.91 -1.79 0.63 115.95 121.03 2wvy h TRP 541 Ca 0.27 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.24 2wvy h TRP 541 Cb 0.73 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 2wvy h TRP 541 CO -0.00 0.21 -0.41 0.45 -1.03 0.00 0.00 178.44 177.67 2wvy h HIS 542 N 0.68 0.03 0.00 2.65 -0.00 -1.50 -3.40 115.15 113.60 2wvy h HIS 542 Ca 0.48 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.78 2wvy h HIS 542 Cb 0.67 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 2wvy h HIS 542 CO -0.07 1.16 -0.23 -1.49 -0.00 0.00 0.00 177.93 177.30 2wvy h TRP 543 N -0.96 0.00 -0.09 2.45 4.06 -0.93 -2.78 115.95 117.70 2wvy h TRP 543 Ca -0.11 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.87 2wvy h TRP 543 Cb 1.13 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2wvy h TRP 543 CO 0.22 0.23 0.33 1.15 -3.56 0.00 0.00 178.44 176.81 2wvy h THR 544 N 0.00 0.10 -0.02 1.49 2.02 -1.10 -1.00 112.91 114.41 2wvy h THR 544 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wvy h THR 544 Cb 0.77 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2wvy h THR 544 CO 0.03 0.00 -0.18 0.79 0.37 0.00 0.00 175.52 176.53 2wvy n TRP 545 N -3.12 0.00 -1.50 3.16 7.02 -1.05 -4.70 117.44 117.26 2wvy n TRP 545 Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.08 2wvy n TRP 545 Cb 0.41 -0.04 -0.02 0.00 -2.42 0.00 0.00 31.31 29.24 2wvy n TRP 545 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wvy n SER 546 N 0.04 6.62 -3.19 -0.99 2.88 -0.38 -4.48 113.62 114.13 2wvy n SER 546 Ca 0.14 -2.69 -0.20 0.00 -1.33 0.00 0.00 58.87 54.79 2wvy n SER 546 Cb 0.42 -1.60 -0.04 0.00 -0.75 0.00 0.00 64.21 62.23 2wvy n SER 546 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2wvy n VAL 547 N 4.25 -0.19 0.14 2.46 0.31 -1.26 -4.81 118.33 119.24 2wvy n VAL 547 Ca 0.67 -4.49 0.03 0.00 -0.01 0.00 0.00 64.34 60.54 2wvy n VAL 547 Cb 0.30 -0.67 0.43 0.00 -0.91 0.00 0.00 33.84 32.99 2wvy n VAL 547 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wvy h PHE 548 N 3.23 0.19 -0.00 3.52 -1.00 -1.88 -2.16 116.94 118.83 2wvy h PHE 548 Ca 0.09 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2wvy h PHE 548 Cb 0.94 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.44 2wvy h PHE 548 CO 0.45 0.31 -0.05 -2.39 -1.61 0.00 0.00 178.31 175.02 2wvy n HIS 549 N -4.31 0.00 -2.79 -0.55 1.44 -1.26 -4.50 115.22 103.26 2wvy n HIS 549 Ca -0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.60 2wvy n HIS 549 Cb 0.24 -0.15 0.07 0.00 0.12 0.00 0.00 29.99 30.28 2wvy n HIS 549 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2wvy n ASP 550 N -0.95 -1.98 -0.07 4.39 2.03 -0.82 -0.97 116.55 118.18 2wvy n ASP 550 Ca 0.17 -3.61 0.02 0.00 0.52 0.00 0.00 54.79 51.89 2wvy n ASP 550 Cb 0.24 1.62 0.34 0.00 -0.72 0.00 0.00 41.12 42.60 2wvy n ASP 550 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wvy h PRO 551 N 3.04 0.68 -0.47 -0.67 0.11 -1.76 -1.03 132.00 131.90 2wvy h PRO 551 Ca -0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2wvy h PRO 551 Cb 1.08 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2wvy h PRO 551 CO 0.18 0.49 0.25 1.49 -0.21 0.00 0.00 178.00 180.20 2wvy h GLU 552 N 0.69 0.66 -0.72 1.05 4.57 -1.91 0.55 114.58 119.48 2wvy h GLU 552 Ca 0.18 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2wvy h GLU 552 Cb 0.00 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 2wvy h GLU 552 CO -0.03 0.54 0.38 0.78 -1.18 0.00 0.00 179.01 179.50 2wvy h GLY 553 N 0.62 1.08 1.13 1.92 0.00 -1.81 0.39 103.07 106.41 2wvy h GLY 553 Ca 0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2wvy h GLY 553 CO -0.02 0.48 0.40 -2.00 0.00 0.00 0.00 176.54 175.40 2wvy h LEU 554 N 0.99 1.01 -0.99 3.11 5.85 -0.75 -1.59 115.31 122.94 2wvy h LEU 554 Ca 0.25 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2wvy h LEU 554 Cb 0.06 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2wvy h LEU 554 CO -0.04 0.84 -0.46 0.77 -0.34 0.00 0.00 178.44 179.21 2wvy h SER 555 N 1.12 0.11 -0.17 1.25 4.64 -0.23 -2.30 113.55 117.97 2wvy h SER 555 Ca 0.28 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wvy h SER 555 Cb 0.08 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2wvy h SER 555 CO -0.04 0.56 0.10 -0.33 -0.87 0.00 0.00 176.83 176.25 2wvy h GLU 556 N 0.09 0.20 -0.71 4.77 5.08 -0.03 0.69 114.58 124.67 2wvy h GLU 556 Ca 0.00 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2wvy h GLU 556 Cb 0.85 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.96 2wvy h GLU 556 CO 0.06 0.13 0.23 -0.07 -1.00 0.00 0.00 179.01 178.37 2wvy h LEU 557 N 0.21 0.15 -0.35 1.33 3.38 -0.99 -0.95 115.31 118.09 2wvy h LEU 557 Ca 0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wvy h LEU 557 Cb -0.01 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wvy h LEU 557 CO -0.03 0.05 0.00 0.23 0.09 0.00 0.00 178.44 178.78 2wvy n MET 558 N -5.07 0.17 0.00 1.13 2.81 -0.90 -4.87 117.12 110.39 2wvy n MET 558 Ca 0.13 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 2wvy n MET 558 Cb 0.40 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2wvy n MET 558 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wvy n GLY 559 N 0.47 0.79 0.00 3.03 0.00 -0.36 -4.75 105.19 104.36 2wvy n GLY 559 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wvy n GLY 559 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 560 N -0.85 2.40 0.37 -0.02 0.00 0.16 -4.81 105.19 102.45 2wvy n GLY 560 Ca 0.00 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.27 2wvy n GLY 560 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wvy h HIS 561 N 0.00 0.75 0.11 1.61 3.86 -1.93 -2.42 115.15 117.13 2wvy h HIS 561 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2wvy h HIS 561 Cb 0.00 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.23 2wvy h HIS 561 CO 0.00 0.30 -0.05 1.49 0.86 0.00 0.00 177.93 180.53 2wvy h GLU 562 N 0.66 -0.14 -0.61 2.45 4.81 -1.90 -0.09 114.58 119.74 2wvy h GLU 562 Ca 0.41 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.75 2wvy h GLU 562 Cb 0.66 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 2wvy h GLU 562 CO -0.17 0.33 0.20 -1.35 -0.73 0.00 0.00 179.01 177.29 2wvy h PRO 563 N -0.71 0.35 -0.81 0.92 0.11 -1.85 -1.71 132.00 128.30 2wvy h PRO 563 Ca -0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2wvy h PRO 563 Cb 0.54 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.53 2wvy h PRO 563 CO 0.02 0.23 0.39 1.98 -0.21 0.00 0.00 178.00 180.42 2wvy h MET 564 N 0.36 1.16 -0.87 1.05 1.85 -1.29 -1.40 114.93 115.79 2wvy h MET 564 Ca 0.32 -0.17 0.02 0.00 -0.61 0.00 0.00 59.70 59.26 2wvy h MET 564 Cb 0.42 -0.21 -0.05 0.00 0.43 0.00 0.00 31.60 32.20 2wvy h MET 564 CO -0.34 0.89 0.57 0.82 -0.40 0.00 0.00 176.91 178.45 2wvy h ILE 565 N 1.14 1.18 -0.56 1.77 2.04 -0.60 -0.36 117.51 122.12 2wvy h ILE 565 Ca 0.28 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2wvy h ILE 565 Cb 0.11 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 2wvy h ILE 565 CO -0.04 0.21 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 2wvy h ALA 566 N 1.34 0.77 -0.22 1.87 0.00 -0.39 0.79 119.26 123.42 2wvy h ALA 566 Ca 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wvy h ALA 566 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2wvy h ALA 566 CO -0.09 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.82 2wvy h ARG 567 N 0.91 0.37 -0.37 0.00 3.08 -1.00 -1.42 114.38 115.94 2wvy h ARG 567 Ca 0.15 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.18 2wvy h ARG 567 Cb 0.60 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 2wvy h ARG 567 CO 0.04 0.53 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.29 2wvy h LEU 568 N 0.16 -0.38 -0.96 3.04 3.38 -0.90 -1.98 115.31 117.67 2wvy h LEU 568 Ca 0.06 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2wvy h LEU 568 Cb 0.34 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2wvy h LEU 568 CO 0.01 -0.13 0.61 0.44 0.09 0.00 0.00 178.44 179.45 2wvy h ASP 569 N -0.01 0.93 0.66 -0.43 3.32 -0.58 -0.22 116.42 120.10 2wvy h ASP 569 Ca 0.18 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2wvy h ASP 569 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2wvy h ASP 569 CO -0.39 0.55 0.00 0.77 -1.72 0.00 0.00 179.24 178.45 2wvy h SER 570 N 1.04 0.00 0.64 6.45 4.64 -0.51 -2.30 113.55 123.51 2wvy h SER 570 Ca 0.44 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 2wvy h SER 570 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2wvy h SER 570 CO -0.21 0.00 -0.57 0.24 -0.87 0.00 0.00 176.83 175.42 2wvy h MET 571 N 0.00 0.00 -3.38 4.77 2.86 -0.68 -3.35 114.93 115.15 2wvy h MET 571 Ca 0.00 0.00 -0.75 0.00 -2.06 0.00 0.00 59.70 56.89 2wvy h MET 571 Cb 0.33 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 31.67 2wvy h MET 571 CO 0.00 0.57 0.16 1.19 1.06 0.00 0.00 176.91 179.88 2wvy n PHE 572 N -3.78 4.59 -1.69 -0.22 3.72 -0.87 -1.68 117.46 117.53 2wvy n PHE 572 Ca -0.01 -4.00 -0.44 0.00 -0.05 0.00 0.00 57.45 52.95 2wvy n PHE 572 Cb 0.59 -1.36 -0.04 0.00 -0.94 0.00 0.00 39.48 37.73 2wvy n PHE 572 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2wvy n VAL 573 N 2.39 0.25 -3.14 -4.37 0.24 -1.26 -4.95 118.33 107.49 2wvy n VAL 573 Ca 0.23 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.34 62.16 2wvy n VAL 573 Cb 0.38 -1.94 -0.06 0.00 -1.47 0.00 0.00 33.84 30.75 2wvy n VAL 573 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wvy s ALA 574 N 2.24 3.33 0.11 2.33 0.00 -1.26 -4.92 121.76 123.59 2wvy s ALA 574 Ca 0.82 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 2wvy s ALA 574 Cb -0.56 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2wvy s ALA 574 CO 0.38 0.34 1.55 -2.14 0.00 0.00 0.00 175.76 175.90 2wvy s PRO 575 N -2.92 4.23 -0.37 0.00 0.03 -1.26 -4.98 135.00 129.74 2wvy s PRO 575 Ca 0.53 2.27 -0.10 0.00 0.03 0.00 0.00 61.00 63.73 2wvy s PRO 575 Cb -0.11 -3.37 0.03 0.00 0.03 0.00 0.00 34.50 31.08 2wvy s PRO 575 CO 0.18 -0.62 0.19 1.21 0.03 0.00 0.00 177.00 177.99 2wvy s ASN 576 N 1.65 5.69 0.00 2.53 3.84 -1.26 -4.95 114.94 122.44 2wvy s ASN 576 Ca 0.70 -0.98 0.18 0.00 0.21 0.00 0.00 52.86 52.98 2wvy s ASN 576 Cb -0.40 -2.01 0.28 0.00 -0.55 0.00 0.00 41.25 38.57 2wvy s ASN 576 CO 0.31 -0.37 1.21 0.35 -2.79 0.00 0.00 177.10 175.81 2wvy n THR 577 N 4.98 0.35 0.00 -5.21 -2.24 -1.26 -5.01 114.28 105.89 2wvy n THR 577 Ca -0.12 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2wvy n THR 577 Cb 0.46 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2wvy n THR 577 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wvy n TYR 578 N 1.11 0.00 0.02 4.78 4.01 -1.26 -1.51 117.16 124.30 2wvy n TYR 578 Ca 0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.98 2wvy n TYR 578 Cb 0.49 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.76 2wvy n TYR 578 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wvy n ASN 579 N 5.90 3.47 0.16 7.72 3.02 -1.26 -4.51 115.26 129.75 2wvy n ASN 579 Ca 0.00 -1.97 0.13 0.00 -0.03 0.00 0.00 54.58 52.72 2wvy n ASN 579 Cb 0.00 -0.31 0.41 0.00 -0.61 0.00 0.00 39.78 39.27 2wvy n ASN 579 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2wvy h TYR 580 N 3.95 0.00 0.00 3.10 0.05 -1.70 -3.05 116.97 119.31 2wvy h TYR 580 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wvy h TYR 580 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2wvy h TYR 580 CO 0.31 0.00 0.73 0.78 -1.05 0.00 0.00 178.16 178.93 2wvy h GLY 581 N 3.60 0.00 0.91 3.88 0.00 -1.79 0.51 103.07 110.17 2wvy h GLY 581 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2wvy h GLY 581 CO 0.00 0.00 0.44 -0.91 0.00 0.00 0.00 176.54 176.07 2wvy h THR 582 N 0.00 0.87 -0.55 4.70 1.35 -1.90 -1.80 112.91 115.57 2wvy h THR 582 Ca 0.00 -0.15 -0.16 0.00 -0.55 0.00 0.00 66.41 65.55 2wvy h THR 582 Cb 1.46 0.39 -0.10 0.00 -1.73 0.00 0.00 68.15 68.17 2wvy h THR 582 CO 0.00 0.08 0.21 -1.22 -0.25 0.00 0.00 175.52 174.34 2wvy n TYR 583 N -4.47 1.84 0.00 4.73 0.53 0.18 -5.02 117.16 114.95 2wvy n TYR 583 Ca 0.11 -0.94 0.00 0.00 -1.02 0.00 0.00 57.90 56.05 2wvy n TYR 583 Cb 0.42 -0.56 0.00 0.00 -1.03 0.00 0.00 39.34 38.17 2wvy n TYR 583 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wvy n GLY 584 N -0.04 1.88 0.21 2.72 0.00 -0.68 -4.60 105.19 104.68 2wvy n GLY 584 Ca 0.30 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 44.22 2wvy n GLY 584 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wvy h PHE 585 N 0.00 0.10 -0.88 1.61 -0.00 -1.95 -2.89 116.94 112.93 2wvy h PHE 585 Ca 0.00 -0.02 0.18 0.00 -0.00 0.00 0.00 57.97 58.13 2wvy h PHE 585 Cb 0.00 -0.03 -0.11 0.00 -0.00 0.00 0.00 35.95 35.82 2wvy h PHE 585 CO 0.00 0.37 0.45 -0.24 -0.00 0.00 0.00 178.31 178.89 2wvy h VAL 586 N 0.09 0.64 -0.99 0.88 3.04 -1.96 1.45 116.25 119.40 2wvy h VAL 586 Ca 0.01 -0.20 0.18 0.00 -1.01 0.00 0.00 66.70 65.68 2wvy h VAL 586 Cb 0.54 0.02 -0.10 0.00 -2.01 0.00 0.00 31.29 29.75 2wvy h VAL 586 CO 0.04 0.10 0.62 0.40 -1.01 0.00 0.00 177.57 177.72 2wvy h ILE 587 N 0.57 0.75 -0.43 3.17 2.04 -1.76 -0.10 117.51 121.75 2wvy h ILE 587 Ca 0.51 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 66.03 2wvy h ILE 587 Cb 0.82 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wvy h ILE 587 CO -0.42 0.14 -0.04 0.45 0.00 0.00 0.00 178.15 178.29 2wvy h HIS 588 N 0.78 0.77 -0.11 1.37 -0.00 0.19 -2.17 115.15 115.98 2wvy h HIS 588 Ca 0.55 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.77 2wvy h HIS 588 Cb 0.84 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2wvy h HIS 588 CO -0.00 0.75 -0.07 1.05 -0.00 0.00 0.00 177.93 179.65 2wvy h GLU 589 N 0.67 0.25 -0.86 2.45 9.09 -0.40 -2.85 114.58 122.92 2wvy h GLU 589 Ca 0.13 -0.12 0.04 0.00 0.05 0.00 0.00 59.36 59.46 2wvy h GLU 589 Cb 0.47 -0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.51 2wvy h GLU 589 CO 0.02 0.62 0.55 0.97 0.05 0.00 0.00 179.01 181.22 2wvy h ILE 590 N -0.13 1.11 -0.56 -1.06 2.10 -1.24 -2.29 117.51 115.44 2wvy h ILE 590 Ca 0.02 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.60 2wvy h ILE 590 Cb 0.56 -0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 36.23 2wvy h ILE 590 CO 0.02 0.19 0.36 0.00 -1.08 0.00 0.00 178.15 177.65 2wvy h ALA 591 N 1.37 1.58 -0.37 0.18 0.00 -1.29 -2.16 119.26 118.57 2wvy h ALA 591 Ca 0.35 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 2wvy h ALA 591 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wvy h ALA 591 CO -0.13 0.38 -0.30 1.05 0.00 0.00 0.00 179.25 180.25 2wvy h GLU 592 N 0.77 0.86 -0.28 0.00 9.09 -1.19 -3.05 114.58 120.77 2wvy h GLU 592 Ca 0.21 -0.43 0.06 0.00 0.05 0.00 0.00 59.36 59.25 2wvy h GLU 592 Cb -0.07 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 26.97 2wvy h GLU 592 CO -0.04 1.07 -0.09 0.52 0.05 0.00 0.00 179.01 180.52 2wvy h MET 593 N 0.66 -0.03 -0.29 1.06 2.86 -1.09 -2.69 114.93 115.41 2wvy h MET 593 Ca 0.07 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 2wvy h MET 593 Cb 0.88 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.48 2wvy h MET 593 CO 0.08 -0.02 -0.16 0.28 1.06 0.00 0.00 176.91 178.15 2wvy h VAL 594 N -0.03 0.53 0.16 -2.22 2.07 -1.38 0.37 116.25 115.75 2wvy h VAL 594 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 2wvy h VAL 594 Cb 0.24 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2wvy h VAL 594 CO -0.31 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 176.97 2wvy h ALA 595 N 1.08 -0.56 -0.41 1.67 0.00 -1.42 0.44 119.26 120.06 2wvy h ALA 595 Ca 0.15 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2wvy h ALA 595 Cb 0.36 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2wvy h ALA 595 CO -0.37 -0.87 -0.06 -0.07 0.00 0.00 0.00 179.25 177.89 2wvy h LEU 596 N -0.56 -0.29 -1.69 0.00 3.38 -1.11 2.24 115.31 117.29 2wvy h LEU 596 Ca 0.02 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.28 2wvy h LEU 596 Cb 0.57 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2wvy h LEU 596 CO -0.16 -0.10 0.51 0.78 0.09 0.00 0.00 178.44 179.57 2wvy h ASN 597 N 0.04 0.28 0.15 -0.43 2.35 0.21 0.48 115.58 118.65 2wvy h ASN 597 Ca 0.20 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2wvy h ASN 597 Cb 0.30 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2wvy h ASN 597 CO -0.39 0.13 -0.07 0.24 -1.65 0.00 0.00 177.43 175.69 2wvy h MET 598 N 0.29 -0.19 -5.38 0.81 2.86 0.67 -3.49 114.93 110.51 2wvy h MET 598 Ca 0.37 0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.72 2wvy h MET 598 Cb 1.04 0.04 0.16 0.00 0.06 0.00 0.00 31.60 32.90 2wvy h MET 598 CO -0.10 0.15 -0.71 0.41 1.06 0.00 0.00 176.91 177.72 2wvy n GLY 599 N -0.20 -0.30 0.37 8.32 0.00 0.64 -4.93 105.19 109.08 2wvy n GLY 599 Ca -0.09 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.08 2wvy n GLY 599 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wvy h GLN 600 N -1.78 0.76 -4.92 1.61 7.50 -1.77 -3.32 115.11 113.20 2wvy h GLN 600 Ca -0.54 -0.05 -0.65 0.00 0.50 0.00 0.00 58.65 57.91 2wvy h GLN 600 Cb 1.31 -0.17 -0.17 0.00 0.05 0.00 0.00 27.48 28.50 2wvy h GLN 600 CO 0.46 0.51 -0.40 -0.47 -1.50 0.00 0.00 178.83 177.43 2wvy s TYR 601 N -5.74 3.22 -0.89 2.96 5.04 -0.68 -4.93 117.35 116.34 2wvy s TYR 601 Ca -0.10 0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.42 2wvy s TYR 601 Cb 0.21 -2.51 0.16 0.00 0.35 0.00 0.00 41.96 40.17 2wvy s TYR 601 CO 0.79 -0.29 0.99 0.00 -1.34 0.00 0.00 175.55 175.70 2wvy s ALA 602 N 1.88 3.63 0.10 3.97 0.00 -1.25 -5.00 121.76 125.08 2wvy s ALA 602 Ca 0.09 -2.97 -0.31 0.00 0.00 0.00 0.00 51.96 48.78 2wvy s ALA 602 Cb -0.16 -3.85 -0.10 0.00 0.00 0.00 0.00 23.12 19.01 2wvy s ALA 602 CO 0.11 -2.72 1.81 -1.58 0.00 0.00 0.00 175.76 173.38 2wvy s HIS 603 N 1.76 2.08 0.00 0.00 2.46 -1.26 -1.08 115.29 119.24 2wvy s HIS 603 Ca 0.27 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.79 2wvy s HIS 603 Cb -0.07 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 2wvy s HIS 603 CO -0.09 -4.76 0.00 0.41 -2.47 0.00 0.00 174.74 167.83 2wvy n GLY 604 N 4.23 1.84 3.65 1.59 0.00 -1.26 -3.80 105.19 111.43 2wvy n GLY 604 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2wvy n GLY 604 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wvy s ASN 605 N -1.64 6.75 0.19 1.61 2.47 -0.24 -4.87 114.94 119.21 2wvy s ASN 605 Ca 0.00 1.59 -0.11 0.00 0.42 0.00 0.00 52.86 54.75 2wvy s ASN 605 Cb 0.00 -2.54 0.21 0.00 -1.45 0.00 0.00 41.25 37.48 2wvy s ASN 605 CO 0.00 -0.95 1.75 1.56 -3.72 0.00 0.00 177.10 175.74 2wvy h GLN 606 N 9.04 0.39 -0.02 0.43 7.50 -1.91 -1.73 115.11 128.81 2wvy h GLN 606 Ca -0.29 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 58.85 2wvy h GLN 606 Cb 1.12 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.56 2wvy h GLN 606 CO 0.99 0.26 0.08 -1.35 -1.50 0.00 0.00 178.83 177.31 2wvy h PRO 607 N 0.40 0.00 -0.09 1.46 0.11 -1.91 -2.18 132.00 129.78 2wvy h PRO 607 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2wvy h PRO 607 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2wvy h PRO 607 CO -0.26 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.86 2wvy n VAL 608 N -3.21 0.41 -0.33 3.15 0.24 -0.69 -4.25 118.33 113.66 2wvy n VAL 608 Ca -0.02 -0.71 0.24 0.00 -2.04 0.00 0.00 64.34 61.81 2wvy n VAL 608 Cb 0.15 0.88 0.53 0.00 -1.47 0.00 0.00 33.84 33.93 2wvy n VAL 608 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2wvy h GLN 609 N 1.29 0.34 -0.01 7.34 4.20 -0.98 0.83 115.11 128.12 2wvy h GLN 609 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2wvy h GLN 609 Cb 0.43 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2wvy h GLN 609 CO 0.00 0.22 -0.41 -2.39 -0.67 0.00 0.00 178.83 175.58 2wvy n HIS 610 N -4.60 0.00 -0.15 2.96 1.44 -1.26 -4.52 115.22 109.09 2wvy n HIS 610 Ca 0.26 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.01 2wvy n HIS 610 Cb 0.93 -0.14 0.33 0.00 0.12 0.00 0.00 29.99 31.23 2wvy n HIS 610 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wvy h ALA 611 N 3.46 1.62 0.00 1.59 0.00 -1.13 -0.41 119.26 124.38 2wvy h ALA 611 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wvy h ALA 611 Cb 0.53 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wvy h ALA 611 CO 0.00 0.31 -0.02 0.82 0.00 0.00 0.00 179.25 180.36 2wvy h ILE 612 N 0.81 0.30 0.00 0.00 2.04 -1.79 -1.54 117.51 117.33 2wvy h ILE 612 Ca 0.26 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2wvy h ILE 612 Cb 0.06 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2wvy h ILE 612 CO -0.07 0.02 -0.19 -1.22 0.00 0.00 0.00 178.15 176.69 2wvy n TYR 613 N -3.47 0.06 0.30 1.37 4.01 -0.16 -4.02 117.16 115.25 2wvy n TYR 613 Ca -0.03 0.02 0.18 0.00 -0.16 0.00 0.00 57.90 57.91 2wvy n TYR 613 Cb 0.12 -0.44 0.91 0.00 -0.31 0.00 0.00 39.34 39.62 2wvy n TYR 613 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2wvy h LEU 614 N 0.00 0.00 -2.26 7.72 3.38 -1.37 -1.65 115.31 121.13 2wvy h LEU 614 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wvy h LEU 614 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2wvy h LEU 614 CO 0.00 0.04 -0.01 1.88 0.09 0.00 0.00 178.44 180.44 2wvy h TYR 615 N 0.00 0.00 0.00 1.13 0.05 -1.78 -0.52 116.97 115.85 2wvy h TYR 615 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2wvy h TYR 615 Cb 0.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 2wvy h TYR 615 CO 0.00 0.01 -0.05 -0.44 -1.05 0.00 0.00 178.16 176.63 2wvy h ASP 616 N 0.00 0.00 0.90 3.88 3.32 -1.55 -1.71 116.42 121.26 2wvy h ASP 616 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2wvy h ASP 616 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2wvy h ASP 616 CO 0.00 0.05 -1.14 -1.22 -1.72 0.00 0.00 179.24 175.21 2wvy n TYR 617 N -3.81 0.97 -1.38 4.55 4.01 -0.21 -4.36 117.16 116.93 2wvy n TYR 617 Ca -0.03 0.29 0.08 0.00 -0.16 0.00 0.00 57.90 58.08 2wvy n TYR 617 Cb 0.14 -0.99 0.16 0.00 -0.31 0.00 0.00 39.34 38.33 2wvy n TYR 617 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2wvy n ILE 618 N -2.73 1.86 -0.16 -0.72 -5.35 -1.00 -4.87 119.36 106.38 2wvy n ILE 618 Ca -0.03 -2.51 0.00 0.00 -0.27 0.00 0.00 62.75 59.94 2wvy n ILE 618 Cb 0.64 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 2wvy n ILE 618 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wvy n GLY 619 N -1.17 0.84 2.19 3.28 0.00 -1.11 -4.91 105.19 104.31 2wvy n GLY 619 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2wvy n GLY 619 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wvy n GLN 620 N -2.12 0.91 0.28 1.61 6.02 -0.68 -4.56 117.38 118.83 2wvy n GLN 620 Ca 0.00 -3.34 0.15 0.00 -0.01 0.00 0.00 57.00 53.80 2wvy n GLN 620 Cb 0.00 -1.59 0.81 0.00 1.02 0.00 0.00 30.24 30.48 2wvy n GLN 620 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2wvy h PRO 621 N 3.24 0.00 0.00 -1.09 0.13 -1.82 -1.34 132.00 131.11 2wvy h PRO 621 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2wvy h PRO 621 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2wvy h PRO 621 CO 0.49 0.08 -0.01 0.11 -0.23 0.00 0.00 178.00 178.44 2wvy h TRP 622 N 0.00 0.00 -0.30 1.56 0.09 -1.89 -0.53 115.95 114.88 2wvy h TRP 622 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.89 58.84 2wvy h TRP 622 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.53 2wvy h TRP 622 CO 0.00 0.01 -0.37 0.87 0.09 0.00 0.00 178.44 179.03 2wvy h LYS 623 N 0.00 0.77 -0.70 0.12 1.57 -1.64 -1.05 116.57 115.65 2wvy h LYS 623 Ca -0.00 -0.44 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2wvy h LYS 623 Cb 0.01 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 2wvy h LYS 623 CO 0.00 1.07 0.42 1.15 -0.57 0.00 0.00 179.45 181.51 2wvy h THR 624 N 0.53 1.04 -0.30 -0.16 2.02 -1.49 -1.71 112.91 112.85 2wvy h THR 624 Ca 0.04 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2wvy h THR 624 Cb 0.96 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2wvy h THR 624 CO 0.09 0.14 0.17 1.56 0.37 0.00 0.00 175.52 177.86 2wvy h GLN 625 N 0.79 0.41 0.08 6.66 4.20 -0.86 -1.75 115.11 124.64 2wvy h GLN 625 Ca 0.29 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2wvy h GLN 625 Cb 0.10 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2wvy h GLN 625 CO -0.14 0.33 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.39 2wvy h TYR 626 N 0.38 -0.10 -0.50 2.96 3.20 -0.96 -2.78 116.97 119.17 2wvy h TYR 626 Ca 0.11 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 2wvy h TYR 626 Cb 0.03 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2wvy h TYR 626 CO -0.04 0.19 -0.10 0.45 -1.64 0.00 0.00 178.16 177.02 2wvy h HIS 627 N -0.39 1.01 0.05 -3.82 3.86 -1.31 -1.38 115.15 113.17 2wvy h HIS 627 Ca -0.01 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2wvy h HIS 627 Cb 0.34 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 2wvy h HIS 627 CO 0.02 0.96 -0.05 1.25 0.86 0.00 0.00 177.93 180.97 2wvy h LEU 628 N 0.82 -0.12 -0.75 2.43 7.12 -1.36 0.17 115.31 123.61 2wvy h LEU 628 Ca 0.13 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 58.06 2wvy h LEU 628 Cb 0.63 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.79 2wvy h LEU 628 CO 0.04 -0.07 -0.08 0.03 -0.13 0.00 0.00 178.44 178.23 2wvy h ARG 629 N -0.11 0.86 -0.41 1.25 2.47 -1.38 -1.64 114.38 115.43 2wvy h ARG 629 Ca 0.00 -0.28 0.04 0.00 -1.26 0.00 0.00 59.98 58.48 2wvy h ARG 629 Cb 0.10 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 2wvy h ARG 629 CO -0.01 0.91 0.16 -0.97 0.56 0.00 0.00 179.97 180.62 2wvy h ASN 630 N 0.78 0.19 -0.48 7.04 -1.24 -0.97 -1.91 115.58 119.00 2wvy h ASN 630 Ca 0.13 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.14 2wvy h ASN 630 Cb 0.58 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 2wvy h ASN 630 CO 0.04 0.15 0.13 0.58 -1.29 0.00 0.00 177.43 177.04 2wvy h VAL 631 N 0.33 1.23 -0.48 2.57 2.07 -0.54 -1.99 116.25 119.44 2wvy h VAL 631 Ca 0.18 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.97 2wvy h VAL 631 Cb 0.15 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2wvy h VAL 631 CO -0.17 0.29 0.17 0.24 0.02 0.00 0.00 177.57 178.12 2wvy h MET 632 N 0.64 0.34 -0.07 1.57 2.86 -1.09 -1.39 114.93 117.78 2wvy h MET 632 Ca 0.15 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 2wvy h MET 632 Cb 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2wvy h MET 632 CO -0.00 0.22 -0.54 -0.44 1.06 0.00 0.00 176.91 177.21 2wvy h ASP 633 N 0.35 0.23 0.00 1.22 3.32 -1.22 -3.33 116.42 116.99 2wvy h ASP 633 Ca 0.23 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 2wvy h ASP 633 Cb 0.23 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2wvy h ASP 633 CO -0.23 0.73 -1.84 0.29 -1.72 0.00 0.00 179.24 176.46 2wvy n LYS 634 N -3.92 1.05 -0.10 3.56 5.02 -0.76 -4.58 118.16 118.43 2wvy n LYS 634 Ca -0.02 -0.08 0.06 0.00 -2.02 0.00 0.00 58.31 56.25 2wvy n LYS 634 Cb 0.57 -1.37 0.11 0.00 -0.02 0.00 0.00 35.03 34.32 2wvy n LYS 634 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wvy n LEU 635 N -2.28 2.48 -4.17 -0.35 4.77 -0.55 -4.92 117.00 111.99 2wvy n LEU 635 Ca -0.13 -1.57 -0.20 0.00 -0.03 0.00 0.00 56.01 54.09 2wvy n LEU 635 Cb 0.68 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 2wvy n LEU 635 CO 0.32 0.57 -0.47 -0.31 -1.33 0.00 0.00 177.39 176.17 2wvy s TYR 636 N -0.97 1.28 0.32 -1.77 2.02 -1.25 -1.18 117.35 115.80 2wvy s TYR 636 Ca 0.19 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.29 2wvy s TYR 636 Cb 0.11 -0.74 0.05 0.00 -0.40 0.00 0.00 41.96 40.99 2wvy s TYR 636 CO 0.15 0.06 0.84 0.54 -1.57 0.00 0.00 175.55 175.57 2wvy s ASN 637 N -1.49 -0.04 0.00 2.29 6.03 -0.42 -4.89 114.94 116.41 2wvy s ASN 637 Ca 0.00 -0.93 0.24 0.00 -1.03 0.00 0.00 52.86 51.15 2wvy s ASN 637 Cb -0.09 0.74 0.38 0.00 -3.03 0.00 0.00 41.25 39.25 2wvy s ASN 637 CO 0.02 -1.46 1.37 -1.54 -2.03 0.00 0.00 177.10 173.46 2wvy n SER 638 N -1.18 2.86 -3.54 3.54 3.41 -1.26 -4.30 113.62 113.15 2wvy n SER 638 Ca -0.07 -1.92 -0.24 0.00 -0.26 0.00 0.00 58.87 56.38 2wvy n SER 638 Cb 0.60 -0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.65 2wvy n SER 638 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wvy n GLY 639 N 1.36 -1.47 0.29 5.00 0.00 -1.26 -4.48 105.19 104.62 2wvy n GLY 639 Ca 0.16 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.63 2wvy n GLY 639 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wvy h SER 640 N -1.44 0.00 -0.81 1.61 4.64 -1.93 0.14 113.55 115.75 2wvy h SER 640 Ca -0.35 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.65 2wvy h SER 640 Cb 0.96 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.86 2wvy h SER 640 CO 0.25 0.05 0.41 0.29 -0.87 0.00 0.00 176.83 176.95 2wvy n LYS 641 N -3.73 3.12 -0.34 4.77 5.02 -1.26 -1.29 118.16 124.44 2wvy n LYS 641 Ca -0.02 -2.94 0.18 0.00 -2.02 0.00 0.00 58.31 53.51 2wvy n LYS 641 Cb 0.14 -2.17 0.40 0.00 -0.02 0.00 0.00 35.03 33.38 2wvy n LYS 641 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wvy h GLY 642 N 2.18 1.90 -7.31 0.72 0.00 -0.90 -3.29 103.07 96.36 2wvy h GLY 642 Ca 0.39 -0.30 -0.68 0.00 0.00 0.00 0.00 47.33 46.75 2wvy h GLY 642 CO 0.85 -0.26 0.49 -0.19 0.00 0.00 0.00 176.54 177.42 2wvy s TYR 643 N -5.75 2.95 -0.61 5.60 2.02 -1.26 -1.31 117.35 118.99 2wvy s TYR 643 Ca -0.11 -0.99 0.25 0.00 -0.37 0.00 0.00 57.07 55.85 2wvy s TYR 643 Cb 0.27 -4.19 0.58 0.00 -0.40 0.00 0.00 41.96 38.23 2wvy s TYR 643 CO 0.80 -1.47 1.64 0.00 -1.57 0.00 0.00 175.55 174.95 2wvy n GLY 645 N 1.24 1.43 0.33 0.00 0.00 -1.25 -4.85 105.19 102.09 2wvy n GLY 645 Ca 0.05 0.60 0.08 0.00 0.00 0.00 0.00 46.02 46.74 2wvy n GLY 645 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wvy h ASP 646 N 6.28 0.41 -0.63 1.61 3.32 -1.88 0.11 116.42 125.63 2wvy h ASP 646 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2wvy h ASP 646 Cb 1.21 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2wvy h ASP 646 CO 0.92 0.28 0.00 -0.62 -1.72 0.00 0.00 179.24 178.09 2wvy n GLU 647 N -4.48 3.40 -3.78 3.56 1.02 -1.26 -4.87 120.64 114.23 2wvy n GLU 647 Ca 0.06 -2.66 -0.37 0.00 -0.02 0.00 0.00 57.16 54.16 2wvy n GLU 647 Cb 0.20 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 29.69 2wvy n GLU 647 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wvy s ASP 648 N -0.89 5.23 -0.15 1.62 2.15 0.36 -4.48 116.67 120.53 2wvy s ASP 648 Ca 0.48 -1.35 0.15 0.00 0.43 0.00 0.00 52.55 52.27 2wvy s ASP 648 Cb 0.30 -1.84 0.52 0.00 -0.30 0.00 0.00 42.92 41.60 2wvy s ASP 648 CO 0.25 -0.37 1.43 0.59 -0.17 0.00 0.00 175.17 176.90 2wvy n ASN 649 N 4.74 3.89 0.00 -0.34 4.13 -1.26 -4.56 115.26 121.86 2wvy n ASN 649 Ca -0.11 -2.79 0.00 0.00 1.68 0.00 0.00 54.58 53.36 2wvy n ASN 649 Cb 0.44 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2wvy n ASN 649 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvy n GLY 650 N -0.15 1.91 0.00 7.41 0.00 -1.26 -3.03 105.19 110.08 2wvy n GLY 650 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 2wvy n GLY 650 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLN 651 N -0.02 0.22 -0.49 1.61 0.00 -1.26 -2.40 117.38 115.04 2wvy n GLN 651 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 57.00 57.22 2wvy n GLN 651 Cb 0.00 -1.50 0.34 0.00 0.00 0.00 0.00 30.24 29.08 2wvy n GLN 651 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2wvy n THR 652 N -1.18 1.38 -0.00 -0.39 -2.24 -1.26 -4.58 114.28 106.01 2wvy n THR 652 Ca 0.06 -1.07 -0.02 0.00 -2.27 0.00 0.00 64.05 60.75 2wvy n THR 652 Cb 0.06 0.31 0.24 0.00 -2.10 0.00 0.00 70.33 68.84 2wvy n THR 652 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wvy h SER 653 N 4.20 0.51 -0.04 3.42 4.64 -1.80 -1.63 113.55 122.85 2wvy h SER 653 Ca 0.00 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 2wvy h SER 653 Cb 1.20 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2wvy h SER 653 CO 0.11 0.67 -0.32 0.00 -0.87 0.00 0.00 176.83 176.42 2wvy h ALA 654 N 1.39 0.99 -0.82 5.18 0.00 -1.81 -2.03 119.26 122.16 2wvy h ALA 654 Ca 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2wvy h ALA 654 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2wvy h ALA 654 CO 0.03 0.60 0.42 2.35 0.00 0.00 0.00 179.25 182.65 2wvy h TRP 655 N 0.44 1.16 -0.29 0.00 7.01 -1.70 -0.98 115.95 121.59 2wvy h TRP 655 Ca 0.05 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.95 2wvy h TRP 655 Cb 0.77 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 2wvy h TRP 655 CO 0.03 0.83 -0.04 -0.92 -2.79 0.00 0.00 178.44 175.55 2wvy h TYR 656 N 1.16 0.59 0.03 2.65 3.20 -1.10 0.75 116.97 124.25 2wvy h TYR 656 Ca 0.29 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2wvy h TYR 656 Cb 0.08 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2wvy h TYR 656 CO 0.01 0.71 -0.04 0.28 -1.64 0.00 0.00 178.16 177.47 2wvy h VAL 657 N 0.31 0.89 -0.36 1.81 2.07 -1.04 0.21 116.25 120.15 2wvy h VAL 657 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2wvy h VAL 657 Cb 0.49 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2wvy h VAL 657 CO 0.02 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 177.53 2wvy h PHE 658 N -0.09 0.50 -0.29 1.57 0.04 -1.17 -2.68 116.94 114.83 2wvy h PHE 658 Ca 0.01 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 2wvy h PHE 658 Cb 0.10 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2wvy h PHE 658 CO -0.10 0.42 -0.21 0.77 -0.60 0.00 0.00 178.31 178.59 2wvy h SER 659 N 0.44 0.53 -0.13 2.17 0.02 -0.47 -1.85 113.55 114.25 2wvy h SER 659 Ca 0.12 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2wvy h SER 659 Cb 0.09 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2wvy h SER 659 CO -0.02 0.74 -0.19 0.00 -1.14 0.00 0.00 176.83 176.22 2wvy h ALA 660 N 1.31 1.11 0.00 3.77 0.00 -0.52 -2.52 119.26 122.41 2wvy h ALA 660 Ca 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2wvy h ALA 660 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wvy h ALA 660 CO 0.04 0.55 -0.20 0.52 0.00 0.00 0.00 179.25 180.16 2wvy h MET 661 N 0.49 0.00 0.00 0.00 2.07 -1.01 0.91 114.93 117.40 2wvy h MET 661 Ca 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 2wvy h MET 661 Cb 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2wvy h MET 661 CO 0.04 0.20 0.00 0.41 1.07 0.00 0.00 176.91 178.64 2wvy n GLY 662 N -0.23 1.08 3.45 8.32 0.00 -0.83 -4.67 105.19 112.31 2wvy n GLY 662 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2wvy n GLY 662 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wvy s PHE 663 N -2.00 -0.52 -0.11 1.61 -0.12 -1.08 0.12 117.98 115.88 2wvy s PHE 663 Ca 0.00 0.30 -0.10 0.00 -0.05 0.00 0.00 56.93 57.08 2wvy s PHE 663 Cb 0.00 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 42.99 2wvy s PHE 663 CO 0.00 -0.87 0.29 -0.47 -0.05 0.00 0.00 175.22 174.12 2wvy s TYR 664 N -3.75 -0.32 -1.21 3.49 5.04 0.70 -4.02 117.35 117.27 2wvy s TYR 664 Ca 0.02 0.78 -0.18 0.00 -2.44 0.00 0.00 57.07 55.25 2wvy s TYR 664 Cb -0.01 0.11 0.10 0.00 0.35 0.00 0.00 41.96 42.50 2wvy s TYR 664 CO -0.12 -0.16 1.58 -1.25 -1.34 0.00 0.00 175.55 174.26 2wvy s PRO 665 N 0.20 3.93 0.19 4.97 0.04 -1.26 -0.32 135.00 142.75 2wvy s PRO 665 Ca -0.00 -2.01 -0.12 0.00 0.04 0.00 0.00 61.00 58.90 2wvy s PRO 665 Cb -0.02 -5.35 0.16 0.00 0.04 0.00 0.00 34.50 29.33 2wvy s PRO 665 CO -0.00 -2.09 1.78 0.28 0.04 0.00 0.00 177.00 177.01 2wvy h VAL 666 N 5.53 0.93 -3.03 -0.36 2.07 -1.88 -3.36 116.25 116.15 2wvy h VAL 666 Ca 0.36 -0.17 -0.62 0.00 0.82 0.00 0.00 66.70 67.09 2wvy h VAL 666 Cb 0.90 0.39 -0.41 0.00 -1.52 0.00 0.00 31.29 30.66 2wvy h VAL 666 CO 1.38 0.09 -0.69 0.00 0.02 0.00 0.00 177.57 178.37 2wvy n PRO 668 N 2.81 1.75 0.00 0.00 -0.02 -1.26 -0.98 135.00 137.31 2wvy n PRO 668 Ca 0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2wvy n PRO 668 Cb 0.36 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2wvy n PRO 668 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wvy n GLY 669 N 0.96 3.37 3.23 -1.23 0.00 -1.26 -4.80 105.19 105.46 2wvy n GLY 669 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2wvy n GLY 669 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wvy s MET 670 N -0.82 2.96 -1.45 1.61 -2.45 -0.15 -4.77 119.30 114.24 2wvy s MET 670 Ca 0.00 -0.90 -0.14 0.00 -1.25 0.00 0.00 55.69 53.40 2wvy s MET 670 Cb 0.00 -3.02 0.03 0.00 1.25 0.00 0.00 34.83 33.09 2wvy s MET 670 CO 0.00 -0.36 2.25 -0.35 1.05 0.00 0.00 175.02 177.61 2wvy n PRO 671 N 4.71 2.84 -4.10 4.11 -0.04 -1.26 -4.78 135.00 136.48 2wvy n PRO 671 Ca -0.17 -2.56 -0.10 0.00 -0.04 0.00 0.00 63.50 60.64 2wvy n PRO 671 Cb 0.48 -3.26 -0.10 0.00 -0.04 0.00 0.00 33.50 30.58 2wvy n PRO 671 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wvy s GLU 672 N 3.22 0.65 -0.09 0.54 2.02 -1.26 -1.27 118.70 122.50 2wvy s GLU 672 Ca 0.48 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2wvy s GLU 672 Cb 0.14 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.36 2wvy s GLU 672 CO -0.08 -0.04 -0.06 0.71 0.02 0.00 0.00 175.26 175.80 2wvy s TYR 673 N -3.11 1.20 0.22 1.61 2.02 0.11 -4.55 117.35 114.86 2wvy s TYR 673 Ca 0.03 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 2wvy s TYR 673 Cb 0.02 -1.03 -0.09 0.00 -0.40 0.00 0.00 41.96 40.46 2wvy s TYR 673 CO -0.05 -0.38 1.20 0.00 -1.57 0.00 0.00 175.55 174.75 2wvy s ALA 674 N 1.45 3.45 0.04 3.71 0.00 0.57 -0.67 121.76 130.30 2wvy s ALA 674 Ca -0.01 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 2wvy s ALA 674 Cb -0.13 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2wvy s ALA 674 CO -0.04 -0.38 0.83 0.42 0.00 0.00 0.00 175.76 176.59 2wvy s ILE 675 N -0.39 4.75 0.00 0.00 1.01 -0.34 -0.22 121.20 126.01 2wvy s ILE 675 Ca 0.51 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.92 2wvy s ILE 675 Cb -0.34 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 37.95 2wvy s ILE 675 CO 0.40 0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.25 2wvy n GLY 676 N 2.54 0.99 3.55 6.18 0.00 0.12 -4.91 105.19 113.65 2wvy n GLY 676 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2wvy n GLY 676 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wvy s SER 677 N 0.26 -0.89 0.58 1.61 0.15 -1.26 -4.63 113.70 109.51 2wvy s SER 677 Ca 0.00 1.41 -0.17 0.00 0.70 0.00 0.00 55.95 57.88 2wvy s SER 677 Cb 0.00 1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 66.11 2wvy s SER 677 CO 0.00 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.14 2wvy s PRO 678 N 2.51 3.29 0.02 5.44 0.04 -1.26 -4.50 135.00 140.54 2wvy s PRO 678 Ca -0.06 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2wvy s PRO 678 Cb -0.10 -2.02 -0.26 0.00 0.04 0.00 0.00 34.50 32.16 2wvy s PRO 678 CO -0.18 -0.86 0.93 1.25 0.04 0.00 0.00 177.00 178.18 2wvy h LEU 679 N 0.76 0.28-10.04 -3.56 5.85 -1.02 -3.48 115.31 104.10 2wvy h LEU 679 Ca -0.48 -0.38 -0.49 0.00 0.84 0.00 0.00 57.88 57.37 2wvy h LEU 679 Cb 1.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2wvy h LEU 679 CO 0.57 1.31 -0.46 -0.36 -0.34 0.00 0.00 178.44 179.16 2wvy s PHE 680 N -2.63 2.98 0.33 1.25 0.08 -1.26 -4.89 117.98 113.84 2wvy s PHE 680 Ca -0.06 -0.24 0.28 0.00 0.12 0.00 0.00 56.93 57.02 2wvy s PHE 680 Cb 0.07 -1.71 1.34 0.00 -0.57 0.00 0.00 43.02 42.16 2wvy s PHE 680 CO 0.85 0.26 2.01 0.87 -0.10 0.00 0.00 175.22 179.10 2wvy h LYS 681 N 1.28 0.00 -1.98 0.44 1.57 -0.99 -3.40 116.57 113.48 2wvy h LYS 681 Ca -0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2wvy h LYS 681 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 2wvy h LYS 681 CO 0.59 0.14 0.09 0.21 -0.57 0.00 0.00 179.45 179.90 2wvy s LYS 682 N -4.01 0.76 -0.00 3.15 2.20 -0.42 0.63 119.74 122.05 2wvy s LYS 682 Ca -0.02 1.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.73 2wvy s LYS 682 Cb 0.12 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 2wvy s LYS 682 CO 0.59 -0.12 -0.13 0.14 -0.36 0.00 0.00 175.35 175.47 2wvy s VAL 683 N 1.01 0.99 -0.16 4.02 -7.23 -0.44 -0.64 120.40 117.95 2wvy s VAL 683 Ca -0.05 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 2wvy s VAL 683 Cb -0.05 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.07 2wvy s VAL 683 CO -0.10 0.25 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.87 2wvy s THR 684 N -0.36 1.88 -0.27 5.32 2.01 -0.68 -0.82 115.64 122.72 2wvy s THR 684 Ca 0.04 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.07 2wvy s THR 684 Cb -0.05 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2wvy s THR 684 CO -0.00 0.51 0.32 -0.76 -0.69 0.00 0.00 174.62 174.00 2wvy s LEU 685 N 1.30 4.04 -0.46 4.42 1.02 0.77 -1.01 118.68 128.75 2wvy s LEU 685 Ca 0.03 0.21 -0.21 0.00 0.02 0.00 0.00 54.13 54.19 2wvy s LEU 685 Cb -0.13 -2.34 0.03 0.00 0.02 0.00 0.00 46.19 43.76 2wvy s LEU 685 CO -0.11 -0.15 0.66 -1.00 0.02 0.00 0.00 176.35 175.78 2wvy s HIS 686 N 1.97 3.04 0.49 0.29 3.76 0.77 -1.07 115.29 124.54 2wvy s HIS 686 Ca 0.13 -0.13 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 2wvy s HIS 686 Cb -0.16 -3.44 0.02 0.00 1.11 0.00 0.00 32.58 30.12 2wvy s HIS 686 CO 0.10 -0.93 0.50 -0.51 -0.85 0.00 0.00 174.74 173.05 2wvy s LEU 687 N 2.88 3.17 0.94 0.89 1.43 0.54 -4.88 118.68 123.66 2wvy s LEU 687 Ca 0.22 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 2wvy s LEU 687 Cb -0.15 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.39 2wvy s LEU 687 CO 0.18 -0.94 0.84 -2.65 0.23 0.00 0.00 176.35 174.01 2wvy n PRO 688 N -1.80 -0.48 -2.09 1.29 -0.02 -1.26 -3.18 135.00 127.46 2wvy n PRO 688 Ca 0.05 -0.08 -0.18 0.00 -2.02 0.00 0.00 63.50 61.27 2wvy n PRO 688 Cb 0.62 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 2wvy n PRO 688 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wvy n GLU 689 N -3.26 -1.37 -1.33 -0.52 1.02 -1.26 -2.56 120.64 111.35 2wvy n GLU 689 Ca 0.09 0.95 -0.11 0.00 -0.02 0.00 0.00 57.16 58.07 2wvy n GLU 689 Cb 0.53 -5.37 -0.05 0.00 -0.02 0.00 0.00 31.44 26.53 2wvy n GLU 689 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wvy n GLY 690 N -0.95 1.24 3.83 0.62 0.00 -1.22 -5.01 105.19 103.71 2wvy n GLY 690 Ca -0.20 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2wvy n GLY 690 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvy s LYS 691 N -2.88 4.09 -0.07 1.61 -0.14 -1.06 -4.94 119.74 116.35 2wvy s LYS 691 Ca 0.00 0.66 0.04 0.00 -1.36 0.00 0.00 55.97 55.31 2wvy s LYS 691 Cb 0.00 -2.86 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 2wvy s LYS 691 CO 0.00 0.41 -0.20 -0.80 -0.76 0.00 0.00 175.35 174.00 2wvy s ASN 692 N -1.76 2.53 -0.13 2.83 0.01 -1.26 -0.34 114.94 116.82 2wvy s ASN 692 Ca 0.42 -0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 52.13 2wvy s ASN 692 Cb -0.15 -0.94 -0.02 0.00 0.41 0.00 0.00 41.25 40.55 2wvy s ASN 692 CO 0.20 0.15 -0.12 0.12 -1.51 0.00 0.00 177.10 175.93 2wvy s PHE 693 N 0.22 2.82 -0.13 2.20 5.36 -0.23 -1.15 117.98 127.07 2wvy s PHE 693 Ca -0.11 -0.62 0.01 0.00 -0.96 0.00 0.00 56.93 55.25 2wvy s PHE 693 Cb -0.15 -1.85 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 2wvy s PHE 693 CO 0.05 -0.20 -0.16 0.08 -1.46 0.00 0.00 175.22 173.53 2wvy s VAL 694 N 0.34 2.72 -0.42 3.12 1.01 -0.42 -0.17 120.40 126.60 2wvy s VAL 694 Ca -0.11 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2wvy s VAL 694 Cb -0.16 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.15 2wvy s VAL 694 CO 0.06 0.53 0.27 -0.69 0.00 0.00 0.00 175.10 175.27 2wvy s VAL 695 N 0.48 4.59 -0.11 2.92 1.01 -0.00 -0.49 120.40 128.81 2wvy s VAL 695 Ca -0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 2wvy s VAL 695 Cb -0.16 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2wvy s VAL 695 CO 0.05 -0.43 0.06 -0.94 0.00 0.00 0.00 175.10 173.84 2wvy s SER 696 N 2.02 5.71 -0.40 3.32 1.04 -0.79 -1.33 113.70 123.27 2wvy s SER 696 Ca 0.03 0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.81 2wvy s SER 696 Cb -0.22 -1.74 0.27 0.00 0.10 0.00 0.00 66.02 64.44 2wvy s SER 696 CO 0.05 0.38 0.63 0.00 0.98 0.00 0.00 173.24 175.28 2wvy n ALA 697 N 2.18 1.79 0.30 5.32 0.00 0.21 -1.15 120.51 129.16 2wvy n ALA 697 Ca -0.19 -3.11 0.15 0.00 0.00 0.00 0.00 53.44 50.29 2wvy n ALA 697 Cb 0.54 -0.91 0.92 0.00 0.00 0.00 0.00 19.45 20.01 2wvy n ALA 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wvy h ALA 698 N 3.73 1.47 -0.28 0.00 0.00 -1.74 0.23 119.26 122.68 2wvy h ALA 698 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wvy h ALA 698 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2wvy h ALA 698 CO 0.44 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 2wvy n ASP 699 N -3.78 2.08 -4.75 0.00 8.00 -1.26 -4.98 116.55 111.85 2wvy n ASP 699 Ca -0.03 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 53.25 2wvy n ASP 699 Cb 0.09 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.05 2wvy n ASP 699 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2wvy s ASN 700 N -1.37 5.24 0.11 -2.24 3.84 0.82 -4.75 114.94 116.59 2wvy s ASN 700 Ca 0.32 2.75 -0.26 0.00 0.21 0.00 0.00 52.86 55.88 2wvy s ASN 700 Cb 0.17 -2.63 0.07 0.00 -0.55 0.00 0.00 41.25 38.31 2wvy s ASN 700 CO 0.25 -1.59 0.84 0.00 -2.79 0.00 0.00 177.10 173.81 2wvy s ALA 701 N -1.31 -1.66 0.45 1.71 0.00 -1.26 -4.90 121.76 114.78 2wvy s ALA 701 Ca 0.72 0.48 0.10 0.00 0.00 0.00 0.00 51.96 53.26 2wvy s ALA 701 Cb -0.40 0.62 1.00 0.00 0.00 0.00 0.00 23.12 24.34 2wvy s ALA 701 CO 0.47 -0.86 2.08 0.00 0.00 0.00 0.00 175.76 177.46 2wvy h ALA 702 N 2.00 1.80 -0.55 0.00 0.00 -1.95 -1.34 119.26 119.21 2wvy h ALA 702 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wvy h ALA 702 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2wvy h ALA 702 CO 0.29 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 2wvy n ASP 703 N -4.48 5.20 -3.30 0.00 5.75 -1.26 -4.55 116.55 113.91 2wvy n ASP 703 Ca 0.01 -2.76 -0.25 0.00 -0.01 0.00 0.00 54.79 51.77 2wvy n ASP 703 Cb 0.08 -0.65 -0.07 0.00 -1.03 0.00 0.00 41.12 39.45 2wvy n ASP 703 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wvy n ARG 704 N 0.69 1.73 0.03 0.11 1.74 -0.51 -4.17 116.66 116.29 2wvy n ARG 704 Ca 0.25 -4.02 0.13 0.00 -0.77 0.00 0.00 57.85 53.44 2wvy n ARG 704 Cb 1.07 -1.79 0.34 0.00 -1.02 0.00 0.00 32.46 31.06 2wvy n ARG 704 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wvy n PRO 705 N 1.04 0.13 -3.18 5.56 -0.04 -1.21 -4.25 135.00 133.04 2wvy n PRO 705 Ca 0.26 0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.41 2wvy n PRO 705 Cb 0.47 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2wvy n PRO 705 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wvy s TYR 706 N -3.07 3.70 -0.38 0.54 2.02 -1.01 -4.67 117.35 114.48 2wvy s TYR 706 Ca 0.10 1.32 -0.20 0.00 -0.37 0.00 0.00 57.07 57.92 2wvy s TYR 706 Cb 0.16 -2.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.17 2wvy s TYR 706 CO 0.65 0.42 0.62 0.42 -1.57 0.00 0.00 175.55 176.09 2wvy s ILE 707 N -1.39 4.89 -0.15 2.71 1.01 -1.26 -0.50 121.20 126.50 2wvy s ILE 707 Ca 0.38 0.38 -0.26 0.00 0.00 0.00 0.00 60.65 61.16 2wvy s ILE 707 Cb -0.17 -4.10 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 2wvy s ILE 707 CO 0.21 -0.39 0.61 -0.09 0.00 0.00 0.00 174.94 175.28 2wvy h ARG 708 N 8.60 0.03 -4.01 2.79 2.43 -1.05 -3.39 114.38 119.78 2wvy h ARG 708 Ca -0.26 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.74 2wvy h ARG 708 Cb 1.11 0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.52 2wvy h ARG 708 CO 0.84 1.02 -0.58 0.21 -1.51 0.00 0.00 179.97 179.96 2wvy s LYS 709 N -2.28 0.62 -0.07 0.20 2.20 -1.20 -4.89 119.74 114.31 2wvy s LYS 709 Ca -0.21 -0.98 -0.05 0.00 -0.36 0.00 0.00 55.97 54.36 2wvy s LYS 709 Cb 0.00 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.58 2wvy s LYS 709 CO 0.68 -0.14 0.18 0.00 -0.36 0.00 0.00 175.35 175.70 2wvy s ALA 710 N -3.31 -0.41 -0.14 3.13 0.00 -1.26 -1.14 121.76 118.63 2wvy s ALA 710 Ca 0.01 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 2wvy s ALA 710 Cb 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2wvy s ALA 710 CO -0.08 -0.12 -0.08 -0.51 0.00 0.00 0.00 175.76 174.97 2wvy s LEU 711 N 0.55 2.99 -0.29 0.00 1.43 0.08 -1.78 118.68 121.66 2wvy s LEU 711 Ca -0.04 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 2wvy s LEU 711 Cb -0.05 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2wvy s LEU 711 CO -0.03 0.18 0.10 -0.22 0.23 0.00 0.00 176.35 176.61 2wvy s LEU 712 N 0.29 3.82 -1.63 1.79 2.96 0.42 0.14 118.68 126.48 2wvy s LEU 712 Ca -0.07 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 2wvy s LEU 712 Cb -0.15 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.73 2wvy s LEU 712 CO 0.04 -0.15 0.74 0.59 -1.32 0.00 0.00 176.35 176.25 2wvy n ASN 713 N 4.92 -2.94 0.00 3.68 5.03 0.05 -0.25 115.26 125.74 2wvy n ASN 713 Ca -0.15 -0.98 0.00 0.00 0.87 0.00 0.00 54.58 54.32 2wvy n ASN 713 Cb 0.49 -2.97 0.00 0.00 -1.02 0.00 0.00 39.78 36.28 2wvy n ASN 713 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wvy n GLY 714 N -1.56 2.69 3.81 7.41 0.00 -1.26 -5.01 105.19 111.28 2wvy n GLY 714 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wvy n GLY 714 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wvy s GLN 715 N -0.10 3.86 0.17 1.61 -1.52 0.65 -4.99 119.66 119.35 2wvy s GLN 715 Ca 0.00 0.05 -0.33 0.00 -1.95 0.00 0.00 55.36 53.13 2wvy s GLN 715 Cb 0.00 -3.29 -0.15 0.00 -0.22 0.00 0.00 33.01 29.35 2wvy s GLN 715 CO 0.00 0.56 1.35 -1.91 -0.25 0.00 0.00 175.29 175.04 2wvy n GLU 716 N 2.55 1.60 -3.93 2.91 2.13 -1.26 -0.43 120.64 124.20 2wvy n GLU 716 Ca -0.16 0.57 -0.24 0.00 0.66 0.00 0.00 57.16 57.99 2wvy n GLU 716 Cb 0.53 -2.20 -0.17 0.00 0.27 0.00 0.00 31.44 29.87 2wvy n GLU 716 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2wvy s PHE 717 N 0.21 1.01 0.00 4.31 5.36 -0.73 -4.80 117.98 123.34 2wvy s PHE 717 Ca 0.75 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.33 2wvy s PHE 717 Cb -0.78 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 2wvy s PHE 717 CO 0.47 -0.37 0.44 0.25 -1.46 0.00 0.00 175.22 174.56 2wvy n THR 718 N 4.83 0.06 -2.07 0.12 -2.24 -1.26 -4.28 114.28 109.44 2wvy n THR 718 Ca -0.13 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 2wvy n THR 718 Cb 0.50 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 69.90 2wvy n THR 718 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wvy s ARG 719 N -0.06 3.14 -0.33 -0.78 0.52 -1.26 -3.84 118.95 116.33 2wvy s ARG 719 Ca 0.00 1.53 0.08 0.00 -0.52 0.00 0.00 55.73 56.82 2wvy s ARG 719 Cb 0.00 -1.98 0.70 0.00 0.52 0.00 0.00 34.95 34.19 2wvy s ARG 719 CO 0.00 -1.00 1.79 0.09 0.02 0.00 0.00 175.30 176.20 2wvy n ASN 720 N -1.73 4.55 -3.59 0.23 3.02 0.13 -4.93 115.26 112.95 2wvy n ASN 720 Ca 0.11 -3.23 -0.13 0.00 -0.03 0.00 0.00 54.58 51.30 2wvy n ASN 720 Cb 0.51 -0.76 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 2wvy n ASN 720 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2wvy s TYR 721 N -2.92 -0.37 0.00 3.10 -0.85 -1.26 -1.20 117.35 113.85 2wvy s TYR 721 Ca 0.53 0.33 0.05 0.00 -0.52 0.00 0.00 57.07 57.46 2wvy s TYR 721 Cb 0.43 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 43.06 2wvy s TYR 721 CO 0.13 -0.65 -0.15 -0.51 -1.52 0.00 0.00 175.55 172.85 2wvy s LEU 722 N -2.15 2.74 0.58 -3.49 1.43 0.16 -4.91 118.68 113.03 2wvy s LEU 722 Ca -0.04 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 2wvy s LEU 722 Cb -0.00 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2wvy s LEU 722 CO -0.04 0.29 1.01 0.42 0.23 0.00 0.00 176.35 178.26 2wvy s THR 723 N -0.87 4.65 0.26 5.49 -4.23 -1.26 0.08 115.64 119.76 2wvy s THR 723 Ca 0.14 0.98 -0.05 0.00 -1.18 0.00 0.00 61.69 61.58 2wvy s THR 723 Cb -0.11 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.15 2wvy s THR 723 CO 0.04 -0.97 1.90 -0.74 -0.54 0.00 0.00 174.62 174.30 2wvy h HIS 724 N 0.15 1.16 -0.77 3.99 2.76 -1.54 -2.55 115.15 118.34 2wvy h HIS 724 Ca -0.45 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 57.74 2wvy h HIS 724 Cb 1.19 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 29.72 2wvy h HIS 724 CO 0.65 0.78 0.50 -0.44 -1.30 0.00 0.00 177.93 178.12 2wvy h ASP 725 N 1.21 0.83 -0.87 3.26 3.32 -1.93 0.20 116.42 122.44 2wvy h ASP 725 Ca 0.31 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2wvy h ASP 725 Cb -0.03 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 2wvy h ASP 725 CO -0.06 0.58 0.44 -0.33 -1.72 0.00 0.00 179.24 178.16 2wvy h GLU 726 N 0.98 1.23 0.20 3.56 5.08 -1.85 -1.45 114.58 122.33 2wvy h GLU 726 Ca 0.30 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2wvy h GLU 726 Cb -0.02 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2wvy h GLU 726 CO -0.10 0.92 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.67 2wvy h LEU 727 N 1.22 -0.23 -0.92 1.33 3.38 -1.15 -3.31 115.31 115.64 2wvy h LEU 727 Ca 0.30 -0.29 0.20 0.00 0.09 0.00 0.00 57.88 58.18 2wvy h LEU 727 Cb 0.08 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 2wvy h LEU 727 CO -0.04 0.21 0.48 0.50 0.09 0.00 0.00 178.44 179.68 2wvy h LYS 728 N -0.72 0.55 0.00 1.13 3.64 -0.51 -0.77 116.57 119.89 2wvy h LYS 728 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wvy h LYS 728 Cb 0.50 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2wvy h LYS 728 CO 0.04 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.59 2wvy n GLN 729 N -4.91 0.19 0.00 1.90 10.64 -0.56 -4.85 117.38 119.78 2wvy n GLN 729 Ca 0.22 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 2wvy n GLN 729 Cb 0.59 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 2wvy n GLN 729 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wvy n GLY 730 N 0.90 -1.12 0.00 2.61 0.00 -0.30 -4.89 105.19 102.39 2wvy n GLY 730 Ca 0.09 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2wvy n GLY 730 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvy n GLY 731 N -0.75 0.58 3.41 -0.02 0.00 -0.30 -4.90 105.19 103.19 2wvy n GLY 731 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 2wvy n GLY 731 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wvy s GLU 732 N -2.00 0.56 -0.36 1.61 2.12 -1.26 -1.30 118.70 118.07 2wvy s GLU 732 Ca 0.00 0.81 -0.08 0.00 0.36 0.00 0.00 54.97 56.06 2wvy s GLU 732 Cb 0.00 0.19 0.04 0.00 0.26 0.00 0.00 34.13 34.62 2wvy s GLU 732 CO 0.00 -0.11 0.16 -1.17 -0.54 0.00 0.00 175.26 173.60 2wvy s LEU 733 N 0.76 4.59 -0.46 2.70 2.96 0.36 -0.77 118.68 128.82 2wvy s LEU 733 Ca -0.04 -1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 52.54 2wvy s LEU 733 Cb -0.05 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.76 2wvy s LEU 733 CO -0.06 -0.38 0.40 0.21 -1.32 0.00 0.00 176.35 175.20 2wvy s ASN 734 N 1.56 6.15 -0.13 3.68 2.47 0.12 -1.88 114.94 126.91 2wvy s ASN 734 Ca 0.00 -1.15 -0.07 0.00 0.42 0.00 0.00 52.86 52.06 2wvy s ASN 734 Cb -0.20 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.37 2wvy s ASN 734 CO 0.04 -0.62 0.13 -0.76 -3.72 0.00 0.00 177.10 172.17 2wvy s LEU 735 N 1.76 4.29 -0.35 3.21 1.43 -0.30 -0.74 118.68 127.98 2wvy s LEU 735 Ca 0.06 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 2wvy s LEU 735 Cb -0.22 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2wvy s LEU 735 CO 0.08 0.36 0.23 -0.44 0.23 0.00 0.00 176.35 176.81 2wvy s SER 736 N -0.72 5.89 0.24 2.29 0.01 -0.29 -4.26 113.70 116.86 2wvy s SER 736 Ca 0.13 -0.64 -0.08 0.00 1.31 0.00 0.00 55.95 56.67 2wvy s SER 736 Cb -0.12 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 63.95 2wvy s SER 736 CO 0.03 -0.30 0.54 -0.04 0.41 0.00 0.00 173.24 173.88 2wvy s MET 737 N 1.66 3.75 0.14 12.44 1.00 -1.26 -0.41 119.30 136.62 2wvy s MET 737 Ca 0.05 0.19 -0.06 0.00 0.00 0.00 0.00 55.69 55.87 2wvy s MET 737 Cb -0.18 -2.66 -0.02 0.00 0.00 0.00 0.00 34.83 31.97 2wvy s MET 737 CO 0.09 0.30 0.19 0.34 0.00 0.00 0.00 175.02 175.94 2wvy s ASP 738 N -2.56 0.15 0.00 3.03 -1.08 0.34 -4.81 116.67 111.75 2wvy s ASP 738 Ca 0.46 -0.96 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 2wvy s ASP 738 Cb -0.11 0.37 0.38 0.00 -1.46 0.00 0.00 42.92 42.10 2wvy s ASP 738 CO 0.24 -0.82 1.33 -1.54 0.52 0.00 0.00 175.17 174.90 2wvy n SER 739 N -0.15 1.55 -4.26 -0.34 3.41 -1.26 -2.42 113.62 110.15 2wvy n SER 739 Ca -0.08 -1.22 -0.22 0.00 -0.26 0.00 0.00 58.87 57.09 2wvy n SER 739 Cb 0.63 0.30 -0.12 0.00 -0.26 0.00 0.00 64.21 64.76 2wvy n SER 739 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2wvy s VAL 740 N -2.48 1.56 0.46 -3.33 -7.23 -1.26 -4.93 120.40 103.20 2wvy s VAL 740 Ca 0.22 -1.57 -0.23 0.00 -1.81 0.00 0.00 61.98 58.59 2wvy s VAL 740 Cb 0.19 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.56 2wvy s VAL 740 CO 0.54 -0.17 1.16 -2.16 -0.31 0.00 0.00 175.10 174.16 2wvy s PRO 741 N -2.09 3.74 -0.53 4.82 0.04 -1.26 -4.79 135.00 134.93 2wvy s PRO 741 Ca 0.06 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 2wvy s PRO 741 Cb -0.09 -2.39 0.09 0.00 0.04 0.00 0.00 34.50 32.15 2wvy s PRO 741 CO 0.04 -0.57 0.56 1.21 0.04 0.00 0.00 177.00 178.28 2wvy s ASN 742 N -1.38 6.19 0.00 6.66 2.47 -1.26 -4.95 114.94 122.66 2wvy s ASN 742 Ca 0.64 -1.35 0.32 0.00 0.42 0.00 0.00 52.86 52.89 2wvy s ASN 742 Cb -0.28 -2.25 1.82 0.00 -1.45 0.00 0.00 41.25 39.09 2wvy s ASN 742 CO 0.34 -0.88 2.18 0.00 -3.72 0.00 0.00 177.10 175.03 2wvy n GLN 743 N 5.76 0.98 0.08 0.43 6.02 -1.26 -3.10 117.38 126.28 2wvy n GLN 743 Ca -0.10 -0.06 0.11 0.00 -0.01 0.00 0.00 57.00 56.94 2wvy n GLN 743 Cb 0.43 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 2wvy n GLN 743 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wvy n GLN 744 N -0.96 0.62 -3.24 -1.09 6.02 -1.26 -4.89 117.38 112.58 2wvy n GLN 744 Ca 0.23 0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.89 2wvy n GLN 744 Cb 0.14 -1.77 -0.06 0.00 1.02 0.00 0.00 30.24 29.57 2wvy n GLN 744 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wvy s ARG 745 N -3.39 4.28 -0.54 -1.09 3.52 -1.18 -4.29 118.95 116.26 2wvy s ARG 745 Ca -0.02 0.50 -0.00 0.00 -0.13 0.00 0.00 55.73 56.08 2wvy s ARG 745 Cb 0.10 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2wvy s ARG 745 CO 0.81 -0.01 0.05 0.41 -0.81 0.00 0.00 175.30 175.75 2wvy n GLY 746 N 3.54 0.15 0.53 8.12 0.00 -1.25 -4.75 105.19 111.53 2wvy n GLY 746 Ca -0.05 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.45 2wvy n GLY 746 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wvy n THR 747 N -3.92 0.00 -3.37 2.61 -2.24 -1.26 -4.58 114.28 101.51 2wvy n THR 747 Ca -0.07 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.92 2wvy n THR 747 Cb 0.55 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 70.02 2wvy n THR 747 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wvy s GLN 748 N -1.20 3.75 0.34 -0.78 -1.52 -1.26 -4.76 119.66 114.23 2wvy s GLN 748 Ca 0.16 0.20 0.06 0.00 -1.95 0.00 0.00 55.36 53.83 2wvy s GLN 748 Cb 0.12 -2.64 0.74 0.00 -0.22 0.00 0.00 33.01 31.00 2wvy s GLN 748 CO 0.19 0.28 1.88 -1.35 -0.25 0.00 0.00 175.29 176.04 2wvy h PRO 749 N 2.25 0.76 0.00 2.91 0.11 -1.97 1.00 132.00 137.06 2wvy h PRO 749 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wvy h PRO 749 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wvy h PRO 749 CO 0.68 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 2wvy h ALA 750 N 1.58 1.00 0.00 -0.75 0.00 -2.00 -2.28 119.26 116.82 2wvy h ALA 750 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2wvy h ALA 750 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wvy h ALA 750 CO -0.19 0.00 -0.59 -0.44 0.00 0.00 0.00 179.25 178.03 2wvy h ASP 751 N 0.00 0.00 -3.99 0.00 3.32 -1.11 -3.47 116.42 111.18 2wvy h ASP 751 Ca 0.00 -0.03 -0.45 0.00 0.02 0.00 0.00 57.03 56.57 2wvy h ASP 751 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2wvy h ASP 751 CO 0.00 0.01 0.35 -0.36 -1.72 0.00 0.00 179.24 177.52 2wvy s PHE 752 N -3.28 3.44 0.48 4.55 0.08 -0.86 -0.70 117.98 121.70 2wvy s PHE 752 Ca 0.03 1.68 -0.08 0.00 0.12 0.00 0.00 56.93 58.68 2wvy s PHE 752 Cb 0.09 -2.91 0.11 0.00 -0.57 0.00 0.00 43.02 39.75 2wvy s PHE 752 CO 0.73 -0.05 0.60 -2.30 -0.10 0.00 0.00 175.22 174.11 2wvy n PRO 753 N -0.15 -0.88 -1.91 0.24 -0.02 -1.26 -4.92 135.00 126.10 2wvy n PRO 753 Ca 0.05 -0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 60.21 2wvy n PRO 753 Cb 0.52 -0.67 0.03 0.00 -0.02 0.00 0.00 33.50 33.36 2wvy n PRO 753 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2wvy s TYR 754 N -2.28 2.45 -0.09 6.00 5.04 -1.26 -5.00 117.35 122.21 2wvy s TYR 754 Ca 0.35 1.42 -0.09 0.00 -2.44 0.00 0.00 57.07 56.31 2wvy s TYR 754 Cb -0.01 -3.68 0.02 0.00 0.35 0.00 0.00 41.96 38.64 2wvy s TYR 754 CO 0.25 -2.52 0.24 -1.12 -1.34 0.00 0.00 175.55 171.06 2wvy s SER 755 N -1.07 -0.24 0.28 4.32 0.01 -1.26 -4.66 113.70 111.08 2wvy s SER 755 Ca 0.69 0.45 -0.00 0.00 1.31 0.00 0.00 55.95 58.40 2wvy s SER 755 Cb -0.37 0.48 0.49 0.00 0.21 0.00 0.00 66.02 66.83 2wvy s SER 755 CO 0.44 -0.11 1.87 0.22 0.41 0.00 0.00 173.24 176.07 2wvy h TYR 756 N 5.65 1.16 -0.00 2.43 3.20 -1.38 -2.38 116.97 125.65 2wvy h TYR 756 Ca -0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2wvy h TYR 756 Cb 1.19 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2wvy h TYR 756 CO 0.41 0.54 -0.18 0.43 -1.64 0.00 0.00 178.16 177.73 2wvy n SER 757 N -4.55 0.24 0.00 -2.11 7.64 -1.26 -5.08 113.62 108.50 2wvy n SER 757 Ca 0.17 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2wvy n SER 757 Cb 0.26 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2wvy n SER 757 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32