#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hps s ILE 19 N 0.00 4.89 -0.27 1.09 1.01 -1.26 -5.03 121.20 121.63 3hps s ILE 19 Ca 0.00 1.63 -0.09 0.00 0.00 0.00 0.00 60.65 62.19 3hps s ILE 19 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3hps s ILE 19 CO 0.00 0.04 0.13 0.68 0.00 0.00 0.00 174.94 175.78 3hps s VAL 20 N 2.09 4.68 0.12 2.92 -7.23 -1.26 -5.07 120.40 116.64 3hps s VAL 20 Ca 0.38 -0.14 -0.35 0.00 -1.81 0.00 0.00 61.98 60.06 3hps s VAL 20 Cb -0.17 -3.25 -0.15 0.00 0.56 0.00 0.00 36.38 33.37 3hps s VAL 20 CO 0.13 0.24 1.50 1.17 -0.31 0.00 0.00 175.10 177.83 3hps n LYS 21 N 4.98 1.79 -1.84 4.82 4.81 -1.26 -4.88 118.16 126.58 3hps n LYS 21 Ca -0.15 0.64 -0.41 0.00 -0.87 0.00 0.00 58.31 57.52 3hps n LYS 21 Cb 0.51 -2.37 -0.01 0.00 0.02 0.00 0.00 35.03 33.18 3hps n LYS 21 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3hps s PRO 22 N 0.85 4.15 0.00 1.64 0.02 -1.26 -4.88 135.00 135.52 3hps s PRO 22 Ca 0.81 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.35 3hps s PRO 22 Cb -0.78 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 30.72 3hps s PRO 22 CO 0.42 -0.54 0.39 0.00 -0.33 0.00 0.00 177.00 176.94 3hps n ALA 23 N 1.46 0.86 -1.41 -1.55 0.00 -1.09 -4.69 120.51 114.09 3hps n ALA 23 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.80 3hps n ALA 23 Cb 0.39 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.97 3hps n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hps s GLY 24 N -0.09 1.59 0.76 0.00 0.00 -0.22 -4.85 107.32 104.52 3hps s GLY 24 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 44.72 44.24 3hps s GLY 24 CO 0.00 0.19 1.21 2.56 0.00 0.00 0.00 173.10 177.06 3hps s PRO 25 N -5.12 1.93 0.93 2.90 0.04 -1.26 -2.29 135.00 132.13 3hps s PRO 25 Ca 0.63 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 3hps s PRO 25 Cb -0.16 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.72 3hps s PRO 25 CO 0.55 -1.99 1.09 -1.25 0.04 0.00 0.00 177.00 175.44 3hps s PRO 26 N -4.01 0.94 0.61 0.56 0.04 -1.26 -2.98 135.00 128.89 3hps s PRO 26 Ca 0.74 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 3hps s PRO 26 Cb -0.29 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3hps s PRO 26 CO 0.48 -2.49 1.20 1.03 0.04 0.00 0.00 177.00 177.26 3hps s ARG 27 N -4.83 2.91 0.05 4.56 0.52 -1.26 -4.95 118.95 115.94 3hps s ARG 27 Ca 0.64 1.80 -0.31 0.00 -0.52 0.00 0.00 55.73 57.35 3hps s ARG 27 Cb -0.19 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.28 3hps s ARG 27 CO 0.58 -1.25 1.52 0.08 0.02 0.00 0.00 175.30 176.25 3hps s VAL 28 N -1.65 3.33 0.00 3.52 1.01 -1.26 -1.64 120.40 123.70 3hps s VAL 28 Ca 0.77 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3hps s VAL 28 Cb -0.30 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3hps s VAL 28 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3hps n GLY 29 N 3.80 0.71 3.74 4.51 0.00 -1.26 -5.05 105.19 111.64 3hps n GLY 29 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hps n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hps s GLN 30 N -0.59 4.24 0.62 1.61 0.74 -0.65 -4.94 119.66 120.70 3hps s GLN 30 Ca 0.00 2.34 -0.17 0.00 0.05 0.00 0.00 55.36 57.58 3hps s GLN 30 Cb 0.00 -3.10 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 3hps s GLN 30 CO 0.00 -0.47 1.16 -2.14 -0.55 0.00 0.00 175.29 173.30 3hps s PRO 31 N -0.23 2.87 0.56 1.67 0.02 -1.26 -4.90 135.00 133.73 3hps s PRO 31 Ca 0.61 1.64 0.34 0.00 0.02 0.00 0.00 61.00 63.60 3hps s PRO 31 Cb -0.43 -1.94 1.57 0.00 0.02 0.00 0.00 34.50 33.73 3hps s PRO 31 CO 0.43 -1.24 2.07 0.66 -0.33 0.00 0.00 177.00 178.59 3hps h SER 32 N 0.51 0.00 0.36 2.53 4.64 -2.02 -1.67 113.55 117.91 3hps h SER 32 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hps h SER 32 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hps h SER 32 CO 0.54 0.05 0.00 -2.67 -0.87 0.00 0.00 176.83 173.89 3hps n TRP 33 N -3.25 0.00 -3.72 4.77 4.27 -1.26 -4.43 117.44 113.82 3hps n TRP 33 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.23 3hps n TRP 33 Cb 0.25 -0.19 -0.11 0.00 -1.36 0.00 0.00 31.31 29.91 3hps n TRP 33 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3hps s ASN 34 N -2.38 5.37 -0.09 -0.67 3.84 -0.63 -4.98 114.94 115.39 3hps s ASN 34 Ca 0.33 -2.08 0.08 0.00 0.21 0.00 0.00 52.86 51.40 3hps s ASN 34 Cb 0.20 -1.87 0.39 0.00 -0.55 0.00 0.00 41.25 39.42 3hps s ASN 34 CO 0.41 -0.56 1.15 -0.81 -2.79 0.00 0.00 177.10 174.50 3hps n PRO 35 N 4.57 2.73 -1.74 0.43 -0.04 -1.26 -4.74 135.00 134.95 3hps n PRO 35 Ca -0.03 -1.52 -0.35 0.00 -0.04 0.00 0.00 63.50 61.56 3hps n PRO 35 Cb 0.41 -1.76 0.06 0.00 -0.04 0.00 0.00 33.50 32.17 3hps n PRO 35 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hps s GLN 36 N -1.80 2.58 0.15 0.54 -0.21 -1.26 -5.04 119.66 114.61 3hps s GLN 36 Ca 0.27 1.82 0.10 0.00 0.02 0.00 0.00 55.36 57.57 3hps s GLN 36 Cb 0.19 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.28 3hps s GLN 36 CO 0.10 -1.51 -0.23 1.03 -2.12 0.00 0.00 175.29 172.55 3hps s ARG 37 N -3.59 1.34 0.26 2.91 1.81 -1.26 -4.49 118.95 115.93 3hps s ARG 37 Ca 0.77 -1.36 -0.31 0.00 -1.72 0.00 0.00 55.73 53.11 3hps s ARG 37 Cb -0.31 -1.66 -0.11 0.00 -0.45 0.00 0.00 34.95 32.42 3hps s ARG 37 CO 0.39 0.37 1.61 0.00 -0.68 0.00 0.00 175.30 176.99 3hps s ALA 38 N -1.41 3.79 0.84 2.13 0.00 -0.97 -4.66 121.76 121.47 3hps s ALA 38 Ca 0.14 1.53 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 3hps s ALA 38 Cb -0.09 -3.65 0.10 0.00 0.00 0.00 0.00 23.12 19.49 3hps s ALA 38 CO 0.07 -0.93 1.20 -1.54 0.00 0.00 0.00 175.76 174.56 3hps s SER 39 N 0.71 4.25 -0.20 0.00 1.04 -1.26 -1.06 113.70 117.17 3hps s SER 39 Ca 0.66 0.68 0.15 0.00 0.48 0.00 0.00 55.95 57.92 3hps s SER 39 Cb -0.47 -1.09 0.75 0.00 0.10 0.00 0.00 66.02 65.31 3hps s SER 39 CO 0.42 -2.06 1.67 -1.54 0.98 0.00 0.00 173.24 172.71 3hps n SER 40 N -3.40 5.23 -4.76 7.02 3.41 -1.26 -4.84 113.62 115.03 3hps n SER 40 Ca 0.09 -2.86 -0.41 0.00 -0.26 0.00 0.00 58.87 55.43 3hps n SER 40 Cb 0.61 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3hps n SER 40 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3hps s MET 41 N -2.61 4.20 -1.31 4.33 -1.94 -1.26 -4.89 119.30 115.82 3hps s MET 41 Ca 0.52 2.44 -0.15 0.00 -1.71 0.00 0.00 55.69 56.79 3hps s MET 41 Cb 0.39 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.17 3hps s MET 41 CO 0.16 -0.46 2.24 -0.35 -0.01 0.00 0.00 175.02 176.61 3hps n PRO 42 N 1.32 2.62 0.05 2.03 -0.04 -1.26 -4.69 135.00 135.03 3hps n PRO 42 Ca 0.04 -2.34 0.10 0.00 -0.04 0.00 0.00 63.50 61.25 3hps n PRO 42 Cb 0.40 -3.12 0.55 0.00 -0.04 0.00 0.00 33.50 31.28 3hps n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hps h VAL 43 N 3.97 0.96 0.00 0.52 2.07 -1.94 -1.82 116.25 120.00 3hps h VAL 43 Ca 0.57 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 68.00 3hps h VAL 43 Cb 0.58 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hps h VAL 43 CO 1.88 0.05 0.13 -0.55 0.02 0.00 0.00 177.57 179.10 3hps h ASN 44 N 0.28 0.00 0.20 0.57 -1.07 -2.01 -2.12 115.58 111.42 3hps h ASN 44 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.53 3hps h ASN 44 Cb 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.54 3hps h ASN 44 CO -0.03 0.00 -0.10 0.54 0.07 0.00 0.00 177.43 177.91 3hps n ARG 45 N -2.55 0.99 -4.46 4.14 1.74 -0.68 -4.86 116.66 110.99 3hps n ARG 45 Ca -0.02 -0.43 -0.23 0.00 -0.77 0.00 0.00 57.85 56.40 3hps n ARG 45 Cb 0.17 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.99 3hps n ARG 45 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hps s TYR 46 N -2.30 1.51 0.20 -1.55 1.51 -0.80 -5.16 117.35 110.76 3hps s TYR 46 Ca 0.33 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 56.10 3hps s TYR 46 Cb 0.20 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 41.12 3hps s TYR 46 CO 0.44 0.07 -0.17 1.03 -1.11 0.00 0.00 175.55 175.81 3hps s ARG 47 N -1.24 1.37 0.72 -0.62 0.52 -1.26 -4.99 118.95 113.45 3hps s ARG 47 Ca 0.04 -1.56 -0.16 0.00 -0.52 0.00 0.00 55.73 53.53 3hps s ARG 47 Cb -0.08 -1.29 0.03 0.00 0.52 0.00 0.00 34.95 34.13 3hps s ARG 47 CO 0.02 0.23 1.26 -2.14 0.02 0.00 0.00 175.30 174.69 3hps s PRO 48 N -3.36 2.13 0.29 3.54 0.02 -1.26 -4.70 135.00 131.66 3hps s PRO 48 Ca 0.22 1.94 0.03 0.00 0.02 0.00 0.00 61.00 63.20 3hps s PRO 48 Cb -0.03 -1.81 0.60 0.00 0.02 0.00 0.00 34.50 33.28 3hps s PRO 48 CO 0.08 -1.89 1.84 0.35 -0.33 0.00 0.00 177.00 177.05 3hps h PHE 49 N -0.10 1.09 0.00 6.54 3.57 -1.95 -0.45 116.94 125.64 3hps h PHE 49 Ca -0.49 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 3hps h PHE 49 Cb 1.32 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3hps h PHE 49 CO 0.43 0.43 -0.07 0.00 -2.23 0.00 0.00 178.31 176.88 3hps h ALA 50 N 1.55 1.79 0.02 2.41 0.00 -1.91 0.99 119.26 124.12 3hps h ALA 50 Ca 0.49 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 55.02 3hps h ALA 50 Cb 0.52 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3hps h ALA 50 CO -0.25 0.08 -1.85 0.39 0.00 0.00 0.00 179.25 177.62 3hps n GLU 51 N -4.31 0.66 -0.10 0.00 1.02 -0.69 -2.92 120.64 114.29 3hps n GLU 51 Ca -0.03 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 3hps n GLU 51 Cb 0.15 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 3hps n GLU 51 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3hps h GLU 52 N 0.01 0.80 0.00 3.49 4.57 -0.55 -3.44 114.58 119.46 3hps h GLU 52 Ca -0.35 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.42 3hps h GLU 52 Cb 2.04 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.64 3hps h GLU 52 CO 0.07 1.05 0.00 0.28 -1.18 0.00 0.00 179.01 179.23 3hps n VAL 53 N -4.19 0.00 -3.55 0.32 0.31 0.29 -4.99 118.33 106.52 3hps n VAL 53 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.21 3hps n VAL 53 Cb 0.50 -0.54 -0.03 0.00 -0.91 0.00 0.00 33.84 32.86 3hps n VAL 53 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hps s GLU 54 N 0.00 0.61 0.16 5.55 -1.05 -1.15 -4.92 118.70 117.90 3hps s GLU 54 Ca 0.00 -0.07 -0.31 0.00 -0.15 0.00 0.00 54.97 54.44 3hps s GLU 54 Cb 0.00 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.89 3hps s GLU 54 CO 0.00 -0.24 1.34 -1.25 0.95 0.00 0.00 175.26 176.06 3hps s PRO 55 N -2.08 4.36 0.51 -4.83 0.04 -1.18 -4.23 135.00 127.58 3hps s PRO 55 Ca 0.03 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.18 3hps s PRO 55 Cb -0.01 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.32 3hps s PRO 55 CO -0.04 -0.33 0.35 0.42 0.04 0.00 0.00 177.00 177.44 3hps s ILE 56 N 0.56 1.86 0.00 0.56 1.01 -1.26 -5.08 121.20 118.86 3hps s ILE 56 Ca 0.60 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3hps s ILE 56 Cb -0.36 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3hps s ILE 56 CO 0.34 0.00 0.00 -0.11 0.00 0.00 0.00 174.94 175.17 3hps n LEU 58 N -1.63 0.00 0.09 2.97 7.94 -1.26 -5.06 117.00 120.05 3hps n LEU 58 Ca -0.02 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.94 3hps n LEU 58 Cb 0.64 0.00 0.51 0.00 0.53 0.00 0.00 43.42 45.10 3hps n LEU 58 CO 0.40 0.00 1.13 0.08 -1.11 0.00 0.00 177.39 177.89 3hps h ARG 59 N 0.00 0.33 -0.94 1.96 0.11 -2.06 -0.82 114.38 112.95 3hps h ARG 59 Ca 0.00 -0.02 -0.25 0.00 0.10 0.00 0.00 59.98 59.81 3hps h ARG 59 Cb 0.00 -0.07 -0.15 0.00 1.11 0.00 0.00 29.97 30.86 3hps h ARG 59 CO 0.00 0.22 0.31 0.27 0.10 0.00 0.00 179.97 180.87 3hps n ASN 60 N -4.50 3.55 -4.56 0.08 6.94 -1.26 -4.97 115.26 110.54 3hps n ASN 60 Ca 0.01 -2.89 -0.39 0.00 -0.02 0.00 0.00 54.58 51.29 3hps n ASN 60 Cb 0.09 -0.69 0.03 0.00 -2.36 0.00 0.00 39.78 36.86 3hps n ASN 60 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3hps n ARG 61 N -0.31 0.90 -0.00 -3.83 1.85 -0.32 -4.95 116.66 110.01 3hps n ARG 61 Ca 0.32 0.34 0.03 0.00 -1.00 0.00 0.00 57.85 57.54 3hps n ARG 61 Cb 1.13 -1.96 -0.04 0.00 -1.05 0.00 0.00 32.46 30.54 3hps n ARG 61 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3hps n THR 62 N -1.31 0.00 0.10 8.89 -2.24 -1.26 -4.75 114.28 113.71 3hps n THR 62 Ca 0.12 -0.15 0.16 0.00 -2.27 0.00 0.00 64.05 61.90 3hps n THR 62 Cb 0.45 0.45 0.67 0.00 -2.10 0.00 0.00 70.33 69.80 3hps n THR 62 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3hps h TRP 63 N 0.00 0.00 0.00 4.78 5.08 -1.93 -0.64 115.95 123.25 3hps h TRP 63 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hps h TRP 63 Cb 0.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3hps h TRP 63 CO 0.00 0.00 0.00 -1.35 -1.28 0.00 0.00 178.44 175.81 3hps h PRO 64 N 0.00 0.00 -0.24 0.12 0.11 -1.92 -2.43 132.00 127.64 3hps h PRO 64 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hps h PRO 64 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3hps h PRO 64 CO -0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 3hps n ASP 65 N -2.81 3.06 -4.62 -2.05 8.00 -0.25 -4.93 116.55 112.95 3hps n ASP 65 Ca -0.00 -1.90 -0.35 0.00 0.71 0.00 0.00 54.79 53.24 3hps n ASP 65 Cb 0.19 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 3hps n ASP 65 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hps s ARG 66 N -1.46 3.96 -0.20 -1.24 3.00 -0.92 -5.09 118.95 117.01 3hps s ARG 66 Ca 0.30 -0.34 -0.09 0.00 0.00 0.00 0.00 55.73 55.60 3hps s ARG 66 Cb 0.19 -3.29 -0.05 0.00 0.00 0.00 0.00 34.95 31.80 3hps s ARG 66 CO 0.27 0.19 0.11 0.08 0.00 0.00 0.00 175.30 175.95 3hps s VAL 67 N 0.62 5.19 0.12 3.52 1.01 -1.26 -4.94 120.40 124.66 3hps s VAL 67 Ca 0.04 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.80 3hps s VAL 67 Cb -0.13 -3.37 -0.13 0.00 0.00 0.00 0.00 36.38 32.75 3hps s VAL 67 CO 0.01 0.42 1.65 -0.38 0.00 0.00 0.00 175.10 176.81 3hps n ILE 68 N 3.72 0.12 -0.33 2.22 5.41 -1.26 -4.88 119.36 124.36 3hps n ILE 68 Ca -0.16 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3hps n ILE 68 Cb 0.52 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 3hps n ILE 68 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3hps n ASP 69 N 4.10 1.26 -3.86 4.38 5.68 -1.26 -5.00 116.55 121.86 3hps n ASP 69 Ca 0.18 -1.59 -0.10 0.00 -0.50 0.00 0.00 54.79 52.77 3hps n ASP 69 Cb 0.30 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 3hps n ASP 69 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3hps s ARG 70 N -0.59 0.65 0.44 0.11 0.52 -1.26 -4.94 118.95 113.88 3hps s ARG 70 Ca 0.00 -0.61 -0.25 0.00 -0.52 0.00 0.00 55.73 54.35 3hps s ARG 70 Cb 0.00 0.27 -0.08 0.00 0.52 0.00 0.00 34.95 35.66 3hps s ARG 70 CO 0.00 -0.18 1.40 0.00 0.02 0.00 0.00 175.30 176.54 3hps s ALA 71 N -2.39 3.23 1.00 2.13 0.00 -1.26 -5.04 121.76 119.44 3hps s ALA 71 Ca -0.06 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.17 3hps s ALA 71 Cb -0.02 -3.57 0.19 0.00 0.00 0.00 0.00 23.12 19.72 3hps s ALA 71 CO -0.03 -1.13 1.15 -1.25 0.00 0.00 0.00 175.76 174.50 3hps s PRO 72 N -2.43 0.40 -0.13 0.00 0.04 -1.26 -5.00 135.00 126.62 3hps s PRO 72 Ca 0.60 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 3hps s PRO 72 Cb -0.43 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3hps s PRO 72 CO 0.55 -2.67 1.15 -1.17 0.04 0.00 0.00 177.00 174.90 3hps s LEU 73 N -6.30 4.21 0.11 -3.56 2.96 -0.73 -4.95 118.68 110.42 3hps s LEU 73 Ca 0.67 1.65 -0.09 0.00 -0.22 0.00 0.00 54.13 56.14 3hps s LEU 73 Cb -0.13 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 3hps s LEU 73 CO 0.55 -0.63 0.41 0.26 -1.32 0.00 0.00 176.35 175.62 3hps s TRP 74 N 2.72 3.54 -0.08 5.38 0.52 -1.26 -1.12 118.94 128.64 3hps s TRP 74 Ca 0.52 0.75 -0.00 0.00 0.02 0.00 0.00 56.10 57.39 3hps s TRP 74 Cb -0.21 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.00 3hps s TRP 74 CO 0.16 0.48 -0.05 0.00 0.02 0.00 0.00 176.95 177.56 3hps s ALA 76 N 1.52 3.55 -0.30 0.00 0.00 -0.83 -1.65 121.76 124.05 3hps s ALA 76 Ca -0.00 -0.51 0.15 0.00 0.00 0.00 0.00 51.96 51.60 3hps s ALA 76 Cb -0.13 -2.70 0.46 0.00 0.00 0.00 0.00 23.12 20.74 3hps s ALA 76 CO -0.04 -0.38 1.36 1.33 0.00 0.00 0.00 175.76 178.03 3hps n VAL 77 N 4.47 1.99 -0.21 0.00 0.24 -0.12 -0.91 118.33 123.79 3hps n VAL 77 Ca -0.07 -1.73 0.11 0.00 -2.04 0.00 0.00 64.34 60.60 3hps n VAL 77 Cb 0.51 -0.10 0.40 0.00 -1.47 0.00 0.00 33.84 33.18 3hps n VAL 77 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hps h ASP 78 N 1.64 0.59 0.44 -1.34 5.19 -1.81 -0.55 116.42 120.57 3hps h ASP 78 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3hps h ASP 78 Cb 1.25 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3hps h ASP 78 CO 0.16 0.34 -0.01 0.18 -3.12 0.00 0.00 179.24 176.79 3hps n LEU 79 N -4.51 0.04 0.00 1.55 4.77 -1.25 -0.73 117.00 116.87 3hps n LEU 79 Ca 0.14 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3hps n LEU 79 Cb 0.39 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3hps n LEU 79 CO 0.32 0.01 0.00 -1.14 -1.33 0.00 0.00 177.39 175.25 3hps n ARG 80 N -1.20 0.00 -0.11 3.23 0.00 -0.46 -4.06 116.66 114.07 3hps n ARG 80 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.93 3hps n ARG 80 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.67 3hps n ARG 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hps h ASP 81 N 0.00 0.41 0.46 6.15 1.82 -1.40 -0.31 116.42 123.55 3hps h ASP 81 Ca 0.00 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 3hps h ASP 81 Cb 0.00 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 3hps h ASP 81 CO 0.00 0.33 -0.29 1.23 -1.61 0.00 0.00 179.24 178.90 3hps h GLY 82 N 0.46 -0.77 0.63 -0.78 0.00 -1.48 -3.04 103.07 98.09 3hps h GLY 82 Ca 0.13 0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.84 3hps h GLY 82 CO -0.03 -0.28 0.19 -0.57 0.00 0.00 0.00 176.54 175.85 3hps h ASN 83 N -0.72 0.22 0.61 0.19 -1.24 -0.72 -1.95 115.58 111.98 3hps h ASN 83 Ca -0.05 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3hps h ASN 83 Cb 0.59 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.66 3hps h ASN 83 CO 0.05 0.16 0.00 0.00 -1.29 0.00 0.00 177.43 176.35 3hps n GLN 84 N -4.97 0.08 0.00 6.67 1.13 -0.15 -2.22 117.38 117.92 3hps n GLN 84 Ca 0.04 0.31 0.13 0.00 -1.94 0.00 0.00 57.00 55.54 3hps n GLN 84 Cb 0.16 -1.65 0.36 0.00 0.11 0.00 0.00 30.24 29.23 3hps n GLN 84 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hps n ALA 85 N -1.61 2.94 -1.91 -1.58 0.00 -0.74 -4.96 120.51 112.65 3hps n ALA 85 Ca 0.03 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 3hps n ALA 85 Cb 0.20 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 3hps n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hps s LEU 86 N -2.31 4.18 0.15 0.00 1.43 -0.94 -4.85 118.68 116.34 3hps s LEU 86 Ca 0.28 1.62 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 3hps s LEU 86 Cb 0.20 -4.10 0.01 0.00 0.03 0.00 0.00 46.19 42.33 3hps s LEU 86 CO 0.45 -0.16 1.77 0.40 0.23 0.00 0.00 176.35 179.04 3hps h ILE 87 N 2.32 1.14 -3.67 -0.59 2.04 -1.90 -3.36 117.51 113.49 3hps h ILE 87 Ca -0.48 -0.34 -0.67 0.00 1.00 0.00 0.00 64.86 64.36 3hps h ILE 87 Cb 1.19 0.63 -0.37 0.00 -0.74 0.00 0.00 36.82 37.52 3hps h ILE 87 CO 0.64 0.15 -0.68 -1.81 0.00 0.00 0.00 178.15 176.44 3hps s ASP 88 N -5.67 4.87 0.91 1.72 1.01 -1.26 -5.11 116.67 113.14 3hps s ASP 88 Ca -0.13 -1.92 -0.10 0.00 0.71 0.00 0.00 52.55 51.11 3hps s ASP 88 Cb 0.11 -1.68 0.14 0.00 1.01 0.00 0.00 42.92 42.50 3hps s ASP 88 CO 0.73 -0.38 1.14 -2.84 0.21 0.00 0.00 175.17 174.03 3hps s PRO 89 N 1.03 1.05 0.19 8.23 0.02 -1.26 -4.88 135.00 139.38 3hps s PRO 89 Ca 0.06 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 3hps s PRO 89 Cb -0.20 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 3hps s PRO 89 CO -0.06 -2.60 1.15 -1.64 -0.33 0.00 0.00 177.00 173.52 3hps s MET 90 N -4.66 4.54 1.04 5.54 -1.94 -1.26 -5.02 119.30 117.53 3hps s MET 90 Ca 0.66 1.81 -0.13 0.00 -1.71 0.00 0.00 55.69 56.33 3hps s MET 90 Cb -0.22 -3.25 0.21 0.00 2.01 0.00 0.00 34.83 33.58 3hps s MET 90 CO 0.58 0.00 1.08 -1.54 -0.01 0.00 0.00 175.02 175.13 3hps s SER 91 N -0.05 2.26 0.29 3.03 1.04 -1.26 -4.73 113.70 114.27 3hps s SER 91 Ca 0.51 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 3hps s SER 91 Cb -0.31 -1.92 0.41 0.00 0.10 0.00 0.00 66.02 64.29 3hps s SER 91 CO 0.36 -3.36 1.96 -0.65 0.98 0.00 0.00 173.24 172.53 3hps h PRO 92 N -2.05 1.13 -0.60 4.02 0.11 -1.97 -1.02 132.00 131.62 3hps h PRO 92 Ca -0.56 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 3hps h PRO 92 Cb 1.33 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3hps h PRO 92 CO 0.56 0.75 0.28 0.00 -0.21 0.00 0.00 178.00 179.39 3hps h ALA 93 N 1.46 0.77 -0.45 -0.75 0.00 -2.00 -1.98 119.26 116.31 3hps h ALA 93 Ca 0.32 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 93 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3hps h ALA 93 CO -0.07 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 3hps h ARG 94 N 0.82 0.85 -0.52 0.00 3.08 -1.77 -1.49 114.38 115.37 3hps h ARG 94 Ca 0.21 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.98 3hps h ARG 94 Cb 0.13 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3hps h ARG 94 CO -0.02 0.94 0.28 0.87 -1.07 0.00 0.00 179.97 180.97 3hps h LYS 95 N 0.69 0.53 -0.44 0.04 1.57 -1.09 -1.29 116.57 116.59 3hps h LYS 95 Ca 0.12 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3hps h LYS 95 Cb 0.60 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3hps h LYS 95 CO 0.04 0.35 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.04 3hps h ARG 96 N 0.55 0.81 -0.54 3.15 9.65 -1.18 -0.41 114.38 126.41 3hps h ARG 96 Ca 0.22 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 3hps h ARG 96 Cb 0.09 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3hps h ARG 96 CO -0.13 0.90 0.06 -0.09 2.80 0.00 0.00 179.97 183.51 3hps h ARG 97 N 0.72 0.91 -0.32 0.20 9.65 -0.92 -0.53 114.38 124.10 3hps h ARG 97 Ca 0.12 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 3hps h ARG 97 Cb 0.64 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 3hps h ARG 97 CO 0.04 0.90 0.11 1.98 2.80 0.00 0.00 179.97 185.80 3hps h MET 98 N 0.79 0.49 -0.46 0.20 4.05 -1.09 -1.35 114.93 117.56 3hps h MET 98 Ca 0.16 -0.10 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 3hps h MET 98 Cb 0.45 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 3hps h MET 98 CO 0.02 0.52 0.23 0.35 0.23 0.00 0.00 176.91 178.26 3hps h PHE 99 N 0.36 0.43 -0.45 1.39 3.57 -0.85 -1.23 116.94 120.16 3hps h PHE 99 Ca 0.10 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3hps h PHE 99 Cb 0.23 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3hps h PHE 99 CO 0.00 0.22 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.85 3hps h ASP 100 N 0.47 0.72 -0.14 0.41 3.32 -0.98 -1.12 116.42 119.09 3hps h ASP 100 Ca 0.20 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3hps h ASP 100 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3hps h ASP 100 CO -0.14 0.79 0.07 0.25 -1.72 0.00 0.00 179.24 178.49 3hps h LEU 101 N 0.70 0.19 -0.87 1.55 5.85 -0.77 -1.79 115.31 120.17 3hps h LEU 101 Ca 0.14 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hps h LEU 101 Cb 0.45 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3hps h LEU 101 CO 0.02 0.27 0.44 -0.07 -0.34 0.00 0.00 178.44 178.76 3hps h LEU 102 N 0.10 1.12 -0.35 2.25 3.38 -0.95 0.06 115.31 120.90 3hps h LEU 102 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hps h LEU 102 Cb 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hps h LEU 102 CO -0.01 0.93 0.17 0.58 0.09 0.00 0.00 178.44 180.20 3hps h VAL 103 N 1.23 1.16 0.00 1.22 2.07 -1.15 -2.10 116.25 118.68 3hps h VAL 103 Ca 0.30 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 3hps h VAL 103 Cb 0.09 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3hps h VAL 103 CO -0.04 0.17 -0.37 -0.09 0.02 0.00 0.00 177.57 177.26 3hps h ARG 104 N 0.44 0.00 0.00 1.57 2.43 -0.81 -2.21 114.38 115.80 3hps h ARG 104 Ca 0.12 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3hps h ARG 104 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hps h ARG 104 CO -0.02 0.37 -0.31 0.52 -1.51 0.00 0.00 179.97 179.02 3hps h MET 105 N 0.00 0.00 0.00 0.20 2.86 -0.90 -3.46 114.93 113.64 3hps h MET 105 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hps h MET 105 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3hps h MET 105 CO 0.05 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.74 3hps n GLY 106 N 0.46 1.37 3.76 8.32 0.00 -0.83 -0.73 105.19 117.54 3hps n GLY 106 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3hps n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hps s TYR 107 N -2.00 3.09 -0.30 1.61 1.51 -0.81 -4.89 117.35 115.56 3hps s TYR 107 Ca 0.00 1.37 0.07 0.00 -1.01 0.00 0.00 57.07 57.50 3hps s TYR 107 Cb 0.00 -3.67 -0.09 0.00 -0.11 0.00 0.00 41.96 38.09 3hps s TYR 107 CO 0.00 -1.88 0.29 1.63 -1.11 0.00 0.00 175.55 174.48 3hps n LYS 108 N 1.15 3.89 -4.10 -0.62 4.76 -1.26 -4.61 118.16 117.37 3hps n LYS 108 Ca 0.01 -0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 3hps n LYS 108 Cb 0.42 -0.90 -0.17 0.00 -1.84 0.00 0.00 35.03 32.54 3hps n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hps s GLU 109 N -1.83 1.22 -0.05 1.97 2.02 -1.26 -0.51 118.70 120.26 3hps s GLU 109 Ca 0.02 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 3hps s GLU 109 Cb 0.06 -1.24 0.03 0.00 0.10 0.00 0.00 34.13 33.07 3hps s GLU 109 CO 0.31 -0.16 0.08 0.42 0.02 0.00 0.00 175.26 175.93 3hps s ILE 110 N 1.32 -0.14 -0.45 -1.63 1.01 -1.07 -1.97 121.20 118.28 3hps s ILE 110 Ca -0.03 0.41 -0.23 0.00 0.00 0.00 0.00 60.65 60.79 3hps s ILE 110 Cb -0.14 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.18 3hps s ILE 110 CO -0.03 0.17 0.78 -0.70 0.00 0.00 0.00 174.94 175.16 3hps s GLU 111 N 2.15 3.40 0.00 2.79 2.12 -0.09 -0.76 118.70 128.31 3hps s GLU 111 Ca 0.04 -0.11 0.27 0.00 0.36 0.00 0.00 54.97 55.52 3hps s GLU 111 Cb -0.12 -3.94 0.80 0.00 0.26 0.00 0.00 34.13 31.13 3hps s GLU 111 CO -0.04 -1.12 1.60 1.33 -0.54 0.00 0.00 175.26 176.49 3hps n VAL 112 N 6.14 0.00 -1.71 3.70 0.24 0.12 -3.69 118.33 123.14 3hps n VAL 112 Ca 0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3hps n VAL 112 Cb 0.48 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 3hps n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 113 N 1.37 0.08 2.49 7.63 0.00 -1.26 -4.72 105.19 110.78 3hps n GLY 113 Ca 0.11 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 3hps n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hps n PHE 114 N 9.00 3.20 0.22 1.61 -0.00 -1.26 -1.54 117.46 128.70 3hps n PHE 114 Ca 0.00 -4.05 0.06 0.00 -0.00 0.00 0.00 57.45 53.46 3hps n PHE 114 Cb 0.00 -0.52 0.52 0.00 -0.00 0.00 0.00 39.48 39.48 3hps n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3hps h PRO 115 N 3.89 0.00 0.00 -7.13 0.13 -1.80 -0.18 132.00 126.91 3hps h PRO 115 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3hps h PRO 115 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 3hps h PRO 115 CO 0.78 0.22 -0.08 0.66 -0.23 0.00 0.00 178.00 179.35 3hps h SER 116 N 0.00 0.00 -0.01 1.44 4.64 -1.84 -3.20 113.55 114.59 3hps h SER 116 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hps h SER 116 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3hps h SER 116 CO 0.03 0.08 -0.72 0.00 -0.87 0.00 0.00 176.83 175.35 3hps n ALA 117 N -2.14 4.10 -3.62 5.18 0.00 -0.13 -4.94 120.51 118.96 3hps n ALA 117 Ca 0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 53.44 52.70 3hps n ALA 117 Cb 0.36 -0.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 3hps n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hps s SER 118 N -2.64 0.78 0.33 0.00 0.15 -0.89 -5.02 113.70 106.41 3hps s SER 118 Ca 0.12 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.08 3hps s SER 118 Cb 0.16 0.46 0.58 0.00 -1.71 0.00 0.00 66.02 65.51 3hps s SER 118 CO 0.69 -0.27 1.85 -0.61 1.20 0.00 0.00 173.24 176.10 3hps h GLN 119 N 8.32 0.49 -0.26 5.44 5.75 -1.89 -0.64 115.11 132.33 3hps h GLN 119 Ca -0.15 -0.12 -0.14 0.00 -0.15 0.00 0.00 58.65 58.10 3hps h GLN 119 Cb 1.13 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 3hps h GLN 119 CO 0.18 0.57 -0.41 1.79 -2.65 0.00 0.00 178.83 178.31 3hps h THR 120 N 0.46 1.30 -0.42 2.39 1.35 -1.95 -1.09 112.91 114.95 3hps h THR 120 Ca 0.09 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 3hps h THR 120 Cb 0.40 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 3hps h THR 120 CO 0.02 0.50 0.20 0.44 -0.25 0.00 0.00 175.52 176.42 3hps h ASP 121 N 0.50 0.55 -0.32 5.36 3.32 -1.82 -1.34 116.42 122.67 3hps h ASP 121 Ca 0.04 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.02 3hps h ASP 121 Cb 0.92 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 3hps h ASP 121 CO 0.08 0.53 -0.04 0.15 -1.72 0.00 0.00 179.24 178.24 3hps h PHE 122 N 0.54 -0.10 -0.78 4.55 3.57 -0.83 -0.96 116.94 122.93 3hps h PHE 122 Ca 0.14 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3hps h PHE 122 Cb 0.13 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3hps h PHE 122 CO -0.01 -0.10 0.50 -0.44 -2.23 0.00 0.00 178.31 176.03 3hps h ASP 123 N 0.04 0.84 -0.32 0.41 3.32 -1.07 -1.44 116.42 118.21 3hps h ASP 123 Ca 0.15 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3hps h ASP 123 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hps h ASP 123 CO -0.29 0.59 0.12 0.15 -1.72 0.00 0.00 179.24 178.08 3hps h PHE 124 N 0.99 0.50 -0.65 4.55 3.57 -0.83 -1.01 116.94 124.06 3hps h PHE 124 Ca 0.30 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3hps h PHE 124 Cb -0.03 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3hps h PHE 124 CO -0.03 0.49 0.37 0.28 -2.23 0.00 0.00 178.31 177.19 3hps h VAL 125 N 0.36 1.20 -0.47 1.41 2.07 -0.83 -1.72 116.25 118.27 3hps h VAL 125 Ca 0.10 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3hps h VAL 125 Cb 0.21 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3hps h VAL 125 CO -0.01 0.21 0.25 0.03 0.02 0.00 0.00 177.57 178.07 3hps h ARG 126 N 0.88 0.49 0.38 1.57 2.47 -1.12 -2.12 114.38 116.93 3hps h ARG 126 Ca 0.23 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 3hps h ARG 126 Cb 0.00 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 3hps h ARG 126 CO -0.04 0.32 -0.20 1.49 0.56 0.00 0.00 179.97 182.11 3hps h GLU 127 N 0.51 -0.51 -0.30 0.04 4.81 -0.73 0.26 114.58 118.66 3hps h GLU 127 Ca 0.20 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3hps h GLU 127 Cb 0.07 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3hps h GLU 127 CO -0.12 -0.34 -0.00 -0.84 -0.73 0.00 0.00 179.01 176.98 3hps h ILE 128 N -0.53 1.18 0.24 2.32 3.07 -1.26 0.18 117.51 122.71 3hps h ILE 128 Ca -0.05 -0.71 -0.01 0.00 1.55 0.00 0.00 64.86 65.64 3hps h ILE 128 Cb 0.41 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 3hps h ILE 128 CO 0.07 0.24 -0.12 0.40 -1.05 0.00 0.00 178.15 177.70 3hps h ILE 129 N 0.43 0.77 0.00 0.16 2.04 -1.13 -2.03 117.51 117.76 3hps h ILE 129 Ca 0.10 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3hps h ILE 129 Cb 0.29 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3hps h ILE 129 CO 0.01 0.16 -0.16 -0.33 0.00 0.00 0.00 178.15 177.82 3hps h GLU 130 N -0.79 0.00 -0.24 2.37 5.08 -0.16 -2.66 114.58 118.18 3hps h GLU 130 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hps h GLU 130 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hps h GLU 130 CO 0.05 0.16 0.00 1.04 -1.00 0.00 0.00 179.01 179.27 3hps n GLN 131 N -3.52 2.10 -3.16 2.33 6.02 0.60 -4.96 117.38 116.79 3hps n GLN 131 Ca -0.01 -1.65 -0.20 0.00 -0.01 0.00 0.00 57.00 55.12 3hps n GLN 131 Cb 0.32 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 30.17 3hps n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hps n GLY 132 N 1.31 -0.38 0.01 1.08 0.00 -1.00 -4.90 105.19 101.31 3hps n GLY 132 Ca 0.17 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.41 3hps n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps n ALA 133 N -3.95 2.54 -2.50 4.61 0.00 -0.77 -4.75 120.51 115.69 3hps n ALA 133 Ca -0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3hps n ALA 133 Cb 0.58 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 3hps n ALA 133 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hps s ILE 134 N -2.82 5.26 0.76 0.00 1.01 -1.26 -5.04 121.20 119.10 3hps s ILE 134 Ca 0.19 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 3hps s ILE 134 Cb 0.19 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.90 3hps s ILE 134 CO 0.52 -0.15 1.23 -2.84 0.00 0.00 0.00 174.94 173.69 3hps s PRO 135 N 1.70 1.94 0.29 2.79 0.02 -1.26 -4.91 135.00 135.57 3hps s PRO 135 Ca 0.06 1.82 0.23 0.00 0.02 0.00 0.00 61.00 63.13 3hps s PRO 135 Cb -0.18 -1.80 1.08 0.00 0.02 0.00 0.00 34.50 33.61 3hps s PRO 135 CO 0.10 -2.00 1.71 -0.40 -0.33 0.00 0.00 177.00 176.08 3hps n ASP 136 N -2.87 0.65 -1.32 2.53 3.85 -1.26 -1.59 116.55 116.54 3hps n ASP 136 Ca 0.14 0.71 0.12 0.00 -0.71 0.00 0.00 54.79 55.05 3hps n ASP 136 Cb 0.50 -0.83 0.30 0.00 -1.35 0.00 0.00 41.12 39.74 3hps n ASP 136 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3hps n ASP 137 N -2.28 3.85 -4.57 -1.12 3.85 -1.26 -4.90 116.55 110.12 3hps n ASP 137 Ca 0.01 -2.00 -0.34 0.00 -0.71 0.00 0.00 54.79 51.75 3hps n ASP 137 Cb 0.16 -0.43 -0.11 0.00 -1.35 0.00 0.00 41.12 39.38 3hps n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hps s VAL 138 N -1.14 4.20 -0.24 2.12 1.01 -0.62 -4.74 120.40 120.98 3hps s VAL 138 Ca 0.47 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 3hps s VAL 138 Cb 0.25 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3hps s VAL 138 CO 0.33 0.51 -0.00 -0.89 0.00 0.00 0.00 175.10 175.05 3hps s THR 139 N 0.11 3.62 0.47 3.92 2.01 0.33 -4.80 115.64 121.30 3hps s THR 139 Ca 0.01 -0.50 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 3hps s THR 139 Cb -0.13 -2.71 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 3hps s THR 139 CO 0.02 0.33 1.09 0.27 -0.69 0.00 0.00 174.62 175.64 3hps s ILE 140 N 1.50 3.50 -0.02 1.82 -4.36 -1.26 -2.59 121.20 119.78 3hps s ILE 140 Ca 0.05 1.03 0.05 0.00 -0.26 0.00 0.00 60.65 61.51 3hps s ILE 140 Cb -0.15 -3.47 -0.01 0.00 1.25 0.00 0.00 42.46 40.08 3hps s ILE 140 CO -0.01 -0.11 -0.16 -1.58 0.24 0.00 0.00 174.94 173.32 3hps s GLN 141 N -2.93 1.37 -0.03 0.37 0.74 0.06 -0.33 119.66 118.91 3hps s GLN 141 Ca 0.65 -0.56 0.04 0.00 0.05 0.00 0.00 55.36 55.54 3hps s GLN 141 Cb -0.22 -1.29 -0.01 0.00 1.10 0.00 0.00 33.01 32.60 3hps s GLN 141 CO 0.27 0.31 -0.15 0.14 -0.55 0.00 0.00 175.29 175.30 3hps s VAL 142 N -0.26 1.26 0.01 1.34 -7.23 -0.26 -0.70 120.40 114.56 3hps s VAL 142 Ca 0.04 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.41 3hps s VAL 142 Cb -0.07 -1.08 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 3hps s VAL 142 CO -0.00 0.36 0.41 -0.22 -0.31 0.00 0.00 175.10 175.34 3hps s LEU 143 N -0.10 4.47 -0.03 1.32 2.96 -0.59 -1.06 118.68 125.65 3hps s LEU 143 Ca 0.00 0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 54.80 3hps s LEU 143 Cb -0.09 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.99 3hps s LEU 143 CO 0.01 0.31 0.16 0.28 -1.32 0.00 0.00 176.35 175.80 3hps s THR 144 N -1.11 0.05 0.97 3.68 -1.32 0.60 -4.20 115.64 114.32 3hps s THR 144 Ca 0.24 -0.39 -0.15 0.00 -1.21 0.00 0.00 61.69 60.18 3hps s THR 144 Cb -0.16 -0.37 0.18 0.00 -1.51 0.00 0.00 72.50 70.64 3hps s THR 144 CO 0.14 -0.22 1.22 -1.10 -2.21 0.00 0.00 174.62 172.45 3hps s GLN 145 N -0.76 0.59 0.00 7.08 -0.21 -1.26 -2.69 119.66 122.40 3hps s GLN 145 Ca -0.09 -0.10 0.28 0.00 0.02 0.00 0.00 55.36 55.47 3hps s GLN 145 Cb -0.05 -1.81 1.04 0.00 1.00 0.00 0.00 33.01 33.19 3hps s GLN 145 CO 0.01 -2.50 1.77 0.00 -2.12 0.00 0.00 175.29 172.45 3hps n ARG 147 N -1.32 2.76 -0.21 0.00 1.74 -1.26 -4.47 116.66 113.90 3hps n ARG 147 Ca 0.09 0.99 0.05 0.00 -0.77 0.00 0.00 57.85 58.21 3hps n ARG 147 Cb 0.32 -2.80 0.32 0.00 -1.02 0.00 0.00 32.46 29.28 3hps n ARG 147 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3hps h PRO 148 N 5.53 0.81 -0.39 5.56 0.11 -1.96 -0.49 132.00 141.18 3hps h PRO 148 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3hps h PRO 148 Cb 1.21 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3hps h PRO 148 CO 0.85 0.54 0.13 0.93 -0.21 0.00 0.00 178.00 180.24 3hps h GLU 149 N 0.84 0.56 -0.23 1.05 3.07 -1.98 -0.70 114.58 117.18 3hps h GLU 149 Ca 0.32 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 58.93 3hps h GLU 149 Cb 0.19 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3hps h GLU 149 CO -0.10 0.48 -0.54 -0.07 -1.40 0.00 0.00 179.01 177.38 3hps h LEU 150 N 0.55 0.77 -0.41 1.33 3.38 -1.44 -1.76 115.31 117.74 3hps h LEU 150 Ca 0.13 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3hps h LEU 150 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hps h LEU 150 CO -0.01 1.16 0.02 0.40 0.09 0.00 0.00 178.44 180.10 3hps h ILE 151 N 0.54 1.26 -0.48 1.22 2.04 -1.08 -0.73 117.51 120.27 3hps h ILE 151 Ca 0.01 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 64.93 3hps h ILE 151 Cb 1.11 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3hps h ILE 151 CO 0.11 0.33 0.25 -0.33 0.00 0.00 0.00 178.15 178.51 3hps h GLU 152 N 0.55 0.47 -0.18 2.37 5.08 -1.07 -1.59 114.58 120.22 3hps h GLU 152 Ca 0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3hps h GLU 152 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3hps h GLU 152 CO 0.02 0.31 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.23 3hps h ARG 153 N 0.49 0.26 0.02 2.33 2.43 -1.13 -1.71 114.38 117.06 3hps h ARG 153 Ca 0.20 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hps h ARG 153 Cb 0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3hps h ARG 153 CO -0.14 0.30 -0.01 1.15 -1.51 0.00 0.00 179.97 179.76 3hps h THR 154 N 0.25 1.23 -0.81 0.20 2.02 -0.22 -1.00 112.91 114.59 3hps h THR 154 Ca 0.06 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.51 3hps h THR 154 Cb 0.21 1.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 3hps h THR 154 CO 0.01 0.20 0.49 -0.26 0.37 0.00 0.00 175.52 176.33 3hps h PHE 155 N -0.37 0.90 -0.77 3.16 -1.00 -1.13 -2.49 116.94 115.25 3hps h PHE 155 Ca -0.00 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.84 3hps h PHE 155 Cb 0.35 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.58 3hps h PHE 155 CO 0.04 0.45 0.48 1.96 -1.61 0.00 0.00 178.31 179.63 3hps h GLN 156 N 0.89 0.90 -0.43 1.51 4.20 -1.15 -1.68 115.11 119.34 3hps h GLN 156 Ca 0.36 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.05 3hps h GLN 156 Cb 0.18 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3hps h GLN 156 CO -0.18 0.60 0.29 0.00 -0.67 0.00 0.00 178.83 178.87 3hps h ALA 157 N 1.33 1.85 -0.14 3.87 0.00 -0.73 -2.01 119.26 123.43 3hps h ALA 157 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hps h ALA 157 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hps h ALA 157 CO -0.12 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3hps n SER 159 N 0.65 2.20 0.00 0.00 2.88 -0.76 -1.23 113.62 117.35 3hps n SER 159 Ca 0.17 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 3hps n SER 159 Cb 0.43 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3hps n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hps n GLY 160 N 2.92 1.90 3.77 0.46 0.00 -1.26 -4.99 105.19 107.99 3hps n GLY 160 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3hps n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps s ALA 161 N -2.44 3.46 0.29 4.61 0.00 -0.37 -4.94 121.76 122.38 3hps s ALA 161 Ca 0.00 1.38 0.16 0.00 0.00 0.00 0.00 51.96 53.50 3hps s ALA 161 Cb 0.00 -3.53 0.74 0.00 0.00 0.00 0.00 23.12 20.33 3hps s ALA 161 CO 0.00 -0.87 1.79 -1.00 0.00 0.00 0.00 175.76 175.69 3hps h PRO 162 N 3.03 0.00 -2.68 0.00 0.13 -1.90 -3.39 132.00 127.19 3hps h PRO 162 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 3hps h PRO 162 Cb 1.24 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 3hps h PRO 162 CO 0.64 0.38 -0.06 -0.98 -0.23 0.00 0.00 178.00 177.76 3hps s ARG 163 N -3.91 0.89 -0.09 0.86 1.70 -1.26 -0.75 118.95 116.39 3hps s ARG 163 Ca -0.02 -0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 54.87 3hps s ARG 163 Cb 0.13 0.41 0.06 0.00 -0.57 0.00 0.00 34.95 34.98 3hps s ARG 163 CO 0.70 -0.28 0.64 0.00 -1.08 0.00 0.00 175.30 175.28 3hps s ALA 164 N -1.67 -1.65 -0.27 7.88 0.00 -0.97 -4.36 121.76 120.71 3hps s ALA 164 Ca -0.10 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 3hps s ALA 164 Cb -0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3hps s ALA 164 CO 0.04 -0.35 0.26 0.42 0.00 0.00 0.00 175.76 176.13 3hps s ILE 165 N -0.89 5.26 -0.43 0.00 1.01 0.55 -0.98 121.20 125.72 3hps s ILE 165 Ca -0.09 0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.68 3hps s ILE 165 Cb -0.01 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.89 3hps s ILE 165 CO 0.08 0.22 0.59 -0.69 0.00 0.00 0.00 174.94 175.13 3hps s VAL 166 N 1.86 4.90 -0.38 2.92 1.01 0.04 -1.10 120.40 129.64 3hps s VAL 166 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 3hps s VAL 166 Cb -0.16 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3hps s VAL 166 CO 0.10 -0.55 0.24 -2.28 0.00 0.00 0.00 175.10 172.62 3hps s HIS 167 N 2.64 3.23 0.15 5.22 2.46 -0.22 -1.65 115.29 127.12 3hps s HIS 167 Ca 0.20 -0.67 0.09 0.00 0.47 0.00 0.00 55.06 55.15 3hps s HIS 167 Cb -0.15 -2.50 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 3hps s HIS 167 CO 0.17 -0.57 -0.14 -0.59 -2.47 0.00 0.00 174.74 171.15 3hps s PHE 168 N 1.63 2.57 0.11 3.88 -0.12 -0.35 -0.29 117.98 125.41 3hps s PHE 168 Ca 0.04 -0.25 -0.13 0.00 -0.05 0.00 0.00 56.93 56.54 3hps s PHE 168 Cb -0.19 -1.30 0.02 0.00 -0.63 0.00 0.00 43.02 40.92 3hps s PHE 168 CO 0.08 0.46 0.32 1.52 -0.05 0.00 0.00 175.22 177.55 3hps s TYR 169 N -1.46 -0.05 0.05 3.49 1.13 -1.10 -2.50 117.35 116.92 3hps s TYR 169 Ca 0.22 -0.31 -0.17 0.00 -1.41 0.00 0.00 57.07 55.40 3hps s TYR 169 Cb -0.09 0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.93 3hps s TYR 169 CO 0.13 -0.64 0.38 0.54 -2.51 0.00 0.00 175.55 173.44 3hps s ASN 170 N -2.83 -0.23 0.06 -0.18 4.22 -1.16 -3.92 114.94 110.90 3hps s ASN 170 Ca 0.04 -0.10 -0.31 0.00 -2.14 0.00 0.00 52.86 50.36 3hps s ASN 170 Cb 0.03 0.41 -0.06 0.00 1.28 0.00 0.00 41.25 42.92 3hps s ASN 170 CO -0.11 -0.68 1.18 -0.44 -2.04 0.00 0.00 177.10 175.02 3hps s SER 171 N -2.13 7.10 0.00 3.54 0.01 -1.26 -0.51 113.70 120.45 3hps s SER 171 Ca -0.04 2.00 0.00 0.00 1.31 0.00 0.00 55.95 59.22 3hps s SER 171 Cb -0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3hps s SER 171 CO -0.04 -0.45 0.61 0.35 0.41 0.00 0.00 173.24 174.12 3hps n THR 172 N 3.88 0.20 -1.57 1.44 -2.24 -0.55 -4.81 114.28 110.64 3hps n THR 172 Ca 0.09 -0.60 -0.34 0.00 -2.27 0.00 0.00 64.05 60.92 3hps n THR 172 Cb 0.47 0.90 0.08 0.00 -2.10 0.00 0.00 70.33 69.67 3hps n THR 172 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hps s SER 173 N -0.22 4.53 0.17 3.42 1.04 -1.26 -4.73 113.70 116.65 3hps s SER 173 Ca 0.00 2.25 -0.16 0.00 0.48 0.00 0.00 55.95 58.52 3hps s SER 173 Cb 0.00 -2.58 0.11 0.00 0.10 0.00 0.00 66.02 63.66 3hps s SER 173 CO 0.00 -2.03 1.69 0.40 0.98 0.00 0.00 173.24 174.28 3hps h ILE 174 N -0.13 0.67 -0.25 -1.02 2.04 -1.50 -0.17 117.51 117.16 3hps h ILE 174 Ca -0.48 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3hps h ILE 174 Cb 1.28 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3hps h ILE 174 CO 0.51 0.01 0.14 0.25 0.00 0.00 0.00 178.15 179.06 3hps h LEU 175 N 0.08 0.31 -0.75 1.44 5.85 -1.91 -1.98 115.31 118.35 3hps h LEU 175 Ca 0.20 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3hps h LEU 175 Cb 0.29 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3hps h LEU 175 CO -0.35 0.30 -0.04 1.56 -0.34 0.00 0.00 178.44 179.57 3hps h GLN 176 N 0.29 0.91 -0.87 1.25 4.20 -1.81 -0.40 115.11 118.68 3hps h GLN 176 Ca 0.09 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.55 3hps h GLN 176 Cb 0.06 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3hps h GLN 176 CO -0.01 0.93 0.57 0.00 -0.67 0.00 0.00 178.83 179.64 3hps h ARG 177 N 0.83 1.05 0.17 1.46 3.08 -0.84 0.08 114.38 120.20 3hps h ARG 177 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3hps h ARG 177 Cb 0.55 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hps h ARG 177 CO 0.03 0.69 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.45 3hps h ARG 178 N 1.08 -0.22 0.00 0.04 2.43 -1.00 -0.56 114.38 116.15 3hps h ARG 178 Ca 0.35 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.41 3hps h ARG 178 Cb 0.03 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hps h ARG 178 CO -0.10 0.17 -2.01 1.33 -1.51 0.00 0.00 179.97 177.84 3hps n VAL 179 N -4.92 0.46 -0.11 0.20 0.24 -0.19 -3.06 118.33 110.95 3hps n VAL 179 Ca -0.07 -0.56 -0.23 0.00 -2.04 0.00 0.00 64.34 61.43 3hps n VAL 179 Cb 0.25 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.35 3hps n VAL 179 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hps n VAL 180 N -2.36 1.53 0.05 3.34 0.31 -0.41 -4.61 118.33 116.18 3hps n VAL 180 Ca -0.13 -0.11 0.07 0.00 -0.01 0.00 0.00 64.34 64.16 3hps n VAL 180 Cb 0.72 -2.01 -0.07 0.00 -0.91 0.00 0.00 33.84 31.57 3hps n VAL 180 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hps n PHE 181 N -4.39 0.70 -4.05 3.52 3.01 -0.12 -5.00 117.46 111.13 3hps n PHE 181 Ca -0.37 0.22 -0.36 0.00 1.01 0.00 0.00 57.45 57.94 3hps n PHE 181 Cb 0.72 -0.90 -0.01 0.00 -0.01 0.00 0.00 39.48 39.28 3hps n PHE 181 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hps n ARG 182 N -2.65 -1.14 -4.14 -1.08 1.74 -0.50 -4.95 116.66 103.95 3hps n ARG 182 Ca -0.06 0.20 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 3hps n ARG 182 Cb 0.68 -3.43 -0.11 0.00 -1.02 0.00 0.00 32.46 28.57 3hps n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hps s ALA 183 N -3.82 0.97 0.81 7.54 0.00 -0.34 -5.03 121.76 121.89 3hps s ALA 183 Ca 0.27 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 3hps s ALA 183 Cb -0.13 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.13 3hps s ALA 183 CO 0.95 0.01 1.12 0.54 0.00 0.00 0.00 175.76 178.38 3hps s ASN 184 N -2.05 4.03 0.22 0.00 2.20 -1.26 -4.64 114.94 113.45 3hps s ASN 184 Ca -0.01 0.12 -0.08 0.00 -0.94 0.00 0.00 52.86 51.95 3hps s ASN 184 Cb -0.06 -0.45 0.19 0.00 -2.00 0.00 0.00 41.25 38.93 3hps s ASN 184 CO 0.01 -2.11 1.86 0.03 -2.94 0.00 0.00 177.10 173.95 3hps h ARG 185 N -0.96 1.18 -0.52 3.55 3.08 -2.00 -2.38 114.38 116.33 3hps h ARG 185 Ca -0.42 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 3hps h ARG 185 Cb 1.27 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 3hps h ARG 185 CO 0.45 0.84 0.30 0.00 -1.07 0.00 0.00 179.97 180.49 3hps h ALA 186 N 1.27 0.67 -0.60 0.04 0.00 -1.99 -0.59 119.26 118.06 3hps h ALA 186 Ca 0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3hps h ALA 186 Cb -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hps h ALA 186 CO -0.06 0.17 0.20 0.93 0.00 0.00 0.00 179.25 180.50 3hps h GLU 187 N 0.70 0.93 -0.08 0.00 5.08 -1.83 -0.59 114.58 118.79 3hps h GLU 187 Ca 0.19 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 3hps h GLU 187 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hps h GLU 187 CO -0.03 0.82 -0.70 0.28 -1.00 0.00 0.00 179.01 178.38 3hps h VAL 188 N 0.85 1.38 -0.62 3.13 2.07 -1.27 -2.69 116.25 119.10 3hps h VAL 188 Ca 0.20 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 3hps h VAL 188 Cb 0.27 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3hps h VAL 188 CO -0.01 0.63 0.26 -0.61 0.02 0.00 0.00 177.57 177.86 3hps h GLN 189 N 0.26 0.92 -0.30 1.57 4.15 -0.87 -2.88 115.11 117.96 3hps h GLN 189 Ca -0.02 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 3hps h GLN 189 Cb 1.26 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 3hps h GLN 189 CO 0.12 0.77 0.18 0.00 -1.93 0.00 0.00 178.83 177.97 3hps h ALA 190 N 1.10 1.75 -0.15 3.38 0.00 -0.95 -0.04 119.26 124.35 3hps h ALA 190 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hps h ALA 190 Cb 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hps h ALA 190 CO -0.02 0.22 -0.06 0.82 0.00 0.00 0.00 179.25 180.21 3hps h ILE 191 N 0.41 0.78 -0.02 0.00 2.04 -1.26 0.57 117.51 120.04 3hps h ILE 191 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 3hps h ILE 191 Cb -0.01 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3hps h ILE 191 CO -0.02 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.14 3hps h ALA 192 N 1.10 0.02 -0.06 1.87 0.00 -1.36 -2.19 119.26 118.65 3hps h ALA 192 Ca 0.08 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3hps h ALA 192 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hps h ALA 192 CO -0.18 -0.43 -0.56 1.79 0.00 0.00 0.00 179.25 179.87 3hps h THR 193 N -0.07 1.38 -0.52 0.00 1.35 -0.97 -1.15 112.91 112.93 3hps h THR 193 Ca 0.01 -1.89 -0.04 0.00 -0.55 0.00 0.00 66.41 63.94 3hps h THR 193 Cb 0.10 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3hps h THR 193 CO -0.00 0.55 0.17 0.44 -0.25 0.00 0.00 175.52 176.43 3hps h ASP 194 N 0.13 0.75 -0.50 5.36 3.32 -0.89 0.28 116.42 124.87 3hps h ASP 194 Ca -0.00 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 56.93 3hps h ASP 194 Cb 1.02 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.31 3hps h ASP 194 CO 0.08 0.75 0.14 1.23 -1.72 0.00 0.00 179.24 179.72 3hps h GLY 195 N 0.71 0.64 0.95 2.75 0.00 -1.13 0.23 103.07 107.22 3hps h GLY 195 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3hps h GLY 195 CO -0.01 -0.03 0.16 0.00 0.00 0.00 0.00 176.54 176.66 3hps h ALA 196 N 1.36 0.56 -0.78 3.60 0.00 -0.85 -0.06 119.26 123.10 3hps h ALA 196 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 196 Cb 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hps h ALA 196 CO -0.29 0.18 0.51 0.00 0.00 0.00 0.00 179.25 179.65 3hps h ARG 197 N 0.55 1.02 -0.68 0.00 3.08 -0.70 -1.66 114.38 115.99 3hps h ARG 197 Ca 0.14 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3hps h ARG 197 Cb 0.22 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3hps h ARG 197 CO -0.01 0.68 0.28 -0.22 -1.07 0.00 0.00 179.97 179.64 3hps h LYS 198 N 1.05 1.00 -0.60 0.04 1.63 -0.47 -1.63 116.57 117.59 3hps h LYS 198 Ca 0.28 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 3hps h LYS 198 Cb -0.12 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.31 3hps h LYS 198 CO -0.06 0.82 0.37 0.00 -3.45 0.00 0.00 179.45 177.13 3hps h VAL 200 N 0.72 1.22 -0.31 0.00 2.07 -0.93 0.29 116.25 119.31 3hps h VAL 200 Ca 0.24 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3hps h VAL 200 Cb 0.03 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3hps h VAL 200 CO -0.11 0.26 0.12 -0.08 0.02 0.00 0.00 177.57 177.79 3hps h GLU 201 N 0.85 0.46 -0.57 1.57 4.81 -0.98 -2.88 114.58 117.84 3hps h GLU 201 Ca 0.21 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3hps h GLU 201 Cb 0.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3hps h GLU 201 CO -0.02 0.47 0.00 1.96 -0.73 0.00 0.00 179.01 180.70 3hps h GLN 202 N 0.35 1.00 -0.97 1.92 1.08 -0.69 -3.02 115.11 114.78 3hps h GLN 202 Ca 0.10 -0.32 0.08 0.00 -1.45 0.00 0.00 58.65 57.07 3hps h GLN 202 Cb 0.19 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.46 3hps h GLN 202 CO -0.01 1.00 0.63 0.00 -0.95 0.00 0.00 178.83 179.49 3hps h ALA 203 N 0.97 1.48 -0.03 3.87 0.00 -0.89 -1.59 119.26 123.07 3hps h ALA 203 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 203 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hps h ALA 203 CO 0.03 0.35 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 3hps h ALA 204 N 1.49 1.58 0.00 0.00 0.00 -1.39 -2.47 119.26 118.47 3hps h ALA 204 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hps h ALA 204 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hps h ALA 204 CO -0.19 0.31 0.00 0.87 0.00 0.00 0.00 179.25 180.25 3hps h LYS 205 N 0.05 0.00 -2.13 0.00 1.57 -1.20 -3.37 116.57 111.49 3hps h LYS 205 Ca 0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 3hps h LYS 205 Cb 0.42 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.32 3hps h LYS 205 CO 0.03 0.00 -0.78 0.66 -0.57 0.00 0.00 179.45 178.79 3hps n TYR 206 N -2.37 2.27 0.60 -1.35 4.01 -0.93 -4.95 117.16 114.43 3hps n TYR 206 Ca 0.03 -3.95 0.09 0.00 -0.16 0.00 0.00 57.90 53.92 3hps n TYR 206 Cb 0.33 -0.48 0.39 0.00 -0.31 0.00 0.00 39.34 39.26 3hps n TYR 206 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hps n PRO 207 N 0.96 0.02 -0.06 -0.72 -0.04 -1.26 -2.83 135.00 131.07 3hps n PRO 207 Ca 0.27 0.21 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 3hps n PRO 207 Cb 0.46 -1.53 0.24 0.00 -0.04 0.00 0.00 33.50 32.62 3hps n PRO 207 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hps n GLY 208 N 0.34 -0.36 3.11 0.55 0.00 -1.26 -4.77 105.19 102.80 3hps n GLY 208 Ca 0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 3hps n GLY 208 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hps s THR 209 N -1.85 1.28 -0.67 2.61 2.01 -1.13 -4.69 115.64 113.20 3hps s THR 209 Ca 0.18 -0.64 -0.26 0.00 0.31 0.00 0.00 61.69 61.28 3hps s THR 209 Cb 0.09 -1.10 0.04 0.00 0.01 0.00 0.00 72.50 71.55 3hps s THR 209 CO 0.14 0.37 1.14 -1.10 -0.69 0.00 0.00 174.62 174.48 3hps s GLN 210 N -0.01 3.24 0.12 4.92 -1.52 0.07 -4.94 119.66 121.53 3hps s GLN 210 Ca -0.02 -0.31 -0.24 0.00 -1.95 0.00 0.00 55.36 52.84 3hps s GLN 210 Cb -0.10 -4.15 -0.07 0.00 -0.22 0.00 0.00 33.01 28.47 3hps s GLN 210 CO 0.01 -1.90 0.74 -1.58 -0.25 0.00 0.00 175.29 172.32 3hps s TRP 211 N 4.95 3.84 0.14 0.91 0.52 -1.26 -2.29 118.94 125.75 3hps s TRP 211 Ca 0.33 1.53 0.06 0.00 0.02 0.00 0.00 56.10 58.04 3hps s TRP 211 Cb -0.11 -2.74 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 3hps s TRP 211 CO 0.16 0.46 -0.13 1.03 0.02 0.00 0.00 176.95 178.48 3hps s ARG 212 N -0.82 1.07 0.03 4.98 0.52 -0.16 -4.96 118.95 119.61 3hps s ARG 212 Ca 0.35 -1.32 0.08 0.00 -0.52 0.00 0.00 55.73 54.32 3hps s ARG 212 Cb -0.22 -0.87 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 3hps s ARG 212 CO 0.24 0.15 -0.23 -0.06 0.02 0.00 0.00 175.30 175.43 3hps s PHE 213 N -2.48 1.99 -0.06 -0.53 0.40 -1.26 -0.78 117.98 115.25 3hps s PHE 213 Ca 0.12 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 3hps s PHE 213 Cb -0.03 -1.21 0.01 0.00 0.51 0.00 0.00 43.02 42.30 3hps s PHE 213 CO 0.03 0.07 -0.11 -2.00 0.70 0.00 0.00 175.22 173.91 3hps s GLU 214 N -1.03 1.52 -0.10 0.44 2.12 -0.66 -1.41 118.70 119.58 3hps s GLU 214 Ca 0.09 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.07 3hps s GLU 214 Cb -0.09 -1.29 -0.01 0.00 0.26 0.00 0.00 34.13 33.00 3hps s GLU 214 CO 0.01 0.03 -0.20 -0.47 -0.54 0.00 0.00 175.26 174.10 3hps s TYR 215 N 0.61 2.64 -0.15 5.30 5.04 -0.12 -1.21 117.35 129.45 3hps s TYR 215 Ca -0.13 -0.80 0.01 0.00 -2.44 0.00 0.00 57.07 53.71 3hps s TYR 215 Cb -0.15 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.43 3hps s TYR 215 CO 0.03 -0.28 -0.17 -1.12 -1.34 0.00 0.00 175.55 172.67 3hps s SER 216 N 0.19 3.50 -0.70 4.32 0.01 -1.04 -1.34 113.70 118.64 3hps s SER 216 Ca -0.12 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.36 3hps s SER 216 Cb -0.16 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.55 3hps s SER 216 CO 0.06 0.08 1.45 -2.16 0.41 0.00 0.00 173.24 173.08 3hps s PRO 217 N 0.86 3.03 0.41 12.44 0.04 -1.25 -2.98 135.00 147.55 3hps s PRO 217 Ca -0.05 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.76 3hps s PRO 217 Cb -0.15 -4.24 -0.08 0.00 0.04 0.00 0.00 34.50 30.07 3hps s PRO 217 CO -0.01 -2.32 1.16 -2.00 0.04 0.00 0.00 177.00 173.87 3hps s GLU 218 N 6.12 3.99 -1.47 4.56 -6.30 0.34 -1.78 118.70 124.16 3hps s GLU 218 Ca 0.45 1.81 -0.07 0.00 -2.50 0.00 0.00 54.97 54.66 3hps s GLU 218 Cb -0.09 -2.61 0.01 0.00 0.00 0.00 0.00 34.13 31.44 3hps s GLU 218 CO 0.17 -0.37 0.86 0.43 0.02 0.00 0.00 175.26 176.37 3hps n SER 219 N -0.06 -6.10 -0.34 -1.70 7.64 -1.26 -1.48 113.62 110.32 3hps n SER 219 Ca 0.05 -0.42 0.19 0.00 1.01 0.00 0.00 58.87 59.70 3hps n SER 219 Cb 0.47 -4.87 0.41 0.00 -1.01 0.00 0.00 64.21 59.21 3hps n SER 219 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3hps h TYR 220 N -1.95 0.94 0.00 1.43 3.20 -1.34 -0.09 116.97 119.16 3hps h TYR 220 Ca -0.55 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3hps h TYR 220 Cb 1.37 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3hps h TYR 220 CO 0.53 0.07 0.00 0.25 -1.64 0.00 0.00 178.16 177.36 3hps n THR 221 N -4.82 0.51 -0.56 1.81 -2.24 -1.20 -1.52 114.28 106.25 3hps n THR 221 Ca 0.27 0.13 0.09 0.00 -2.27 0.00 0.00 64.05 62.27 3hps n THR 221 Cb 0.78 -0.78 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 3hps n THR 221 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hps n GLY 222 N 0.58 2.84 3.42 3.38 0.00 -0.06 -4.93 105.19 110.43 3hps n GLY 222 Ca 0.07 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 3hps n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hps s THR 223 N -1.70 2.72 0.22 2.61 2.01 -0.58 -1.22 115.64 119.71 3hps s THR 223 Ca 0.46 -0.85 -0.32 0.00 0.31 0.00 0.00 61.69 61.29 3hps s THR 223 Cb 0.29 -2.03 -0.13 0.00 0.01 0.00 0.00 72.50 70.64 3hps s THR 223 CO 0.23 0.59 1.56 -0.62 -0.69 0.00 0.00 174.62 175.69 3hps n GLU 224 N 2.38 2.34 -0.24 4.92 4.71 -1.26 -4.87 120.64 128.61 3hps n GLU 224 Ca -0.17 0.84 0.02 0.00 -0.01 0.00 0.00 57.16 57.84 3hps n GLU 224 Cb 0.52 -2.59 0.14 0.00 -1.01 0.00 0.00 31.44 28.50 3hps n GLU 224 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3hps h LEU 225 N 5.37 0.39 -1.34 -4.62 3.38 -1.98 -0.80 115.31 115.71 3hps h LEU 225 Ca -0.45 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3hps h LEU 225 Cb 1.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3hps h LEU 225 CO 0.85 0.21 -0.11 1.05 0.09 0.00 0.00 178.44 180.53 3hps h GLU 226 N 0.54 0.31 -0.14 1.13 -0.00 -1.99 0.21 114.58 114.64 3hps h GLU 226 Ca 0.36 -0.07 -0.20 0.00 -0.00 0.00 0.00 59.36 59.44 3hps h GLU 226 Cb 0.42 -0.04 0.01 0.00 -0.00 0.00 0.00 28.75 29.14 3hps h GLU 226 CO -0.30 0.43 -0.71 -0.92 -0.00 0.00 0.00 179.01 177.51 3hps h TYR 227 N 0.30 0.97 -0.66 2.06 5.03 -1.77 -1.15 116.97 121.75 3hps h TYR 227 Ca 0.06 -0.43 0.06 0.00 2.58 0.00 0.00 58.73 61.00 3hps h TYR 227 Cb 0.38 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.45 3hps h TYR 227 CO 0.01 1.25 0.35 0.00 -1.32 0.00 0.00 178.16 178.45 3hps h ALA 228 N 0.52 0.88 -0.27 1.82 0.00 -0.63 -1.09 119.26 120.50 3hps h ALA 228 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hps h ALA 228 Cb 1.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hps h ALA 228 CO 0.15 0.01 0.12 -0.22 0.00 0.00 0.00 179.25 179.31 3hps h LYS 229 N 0.64 0.39 -0.59 0.00 3.64 -0.94 -1.40 116.57 118.31 3hps h LYS 229 Ca 0.30 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3hps h LYS 229 Cb 0.22 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3hps h LYS 229 CO -0.20 0.39 0.34 0.37 -2.27 0.00 0.00 179.45 178.09 3hps h GLN 230 N 0.29 0.65 -0.11 1.90 4.15 -0.62 0.10 115.11 121.48 3hps h GLN 230 Ca 0.09 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3hps h GLN 230 Cb 0.14 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3hps h GLN 230 CO -0.01 0.43 -0.04 0.28 -1.93 0.00 0.00 178.83 177.55 3hps h VAL 231 N 0.67 1.31 -0.17 2.39 2.07 -1.07 -1.45 116.25 120.00 3hps h VAL 231 Ca 0.25 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hps h VAL 231 Cb 0.08 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hps h VAL 231 CO -0.13 0.30 0.04 0.00 0.02 0.00 0.00 177.57 177.80 3hps h ASP 233 N 0.11 0.37 -0.64 0.00 3.45 -0.76 0.61 116.42 119.56 3hps h ASP 233 Ca 0.07 0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.51 3hps h ASP 233 Cb 0.06 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 3hps h ASP 233 CO -0.09 0.21 0.07 0.00 -1.57 0.00 0.00 179.24 177.86 3hps h ALA 234 N 1.42 0.90 -0.46 3.45 0.00 -0.77 -1.56 119.26 122.24 3hps h ALA 234 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hps h ALA 234 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hps h ALA 234 CO -0.28 0.67 0.26 0.28 0.00 0.00 0.00 179.25 180.17 3hps h VAL 235 N 1.01 1.16 -0.81 0.00 2.07 -0.39 -2.81 116.25 116.47 3hps h VAL 235 Ca 0.19 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3hps h VAL 235 Cb 0.48 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3hps h VAL 235 CO 0.02 0.17 0.54 1.23 0.02 0.00 0.00 177.57 179.55 3hps h GLY 236 N 0.61 1.15 1.52 2.17 0.00 -0.60 -0.98 103.07 106.93 3hps h GLY 236 Ca 0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hps h GLY 236 CO -0.03 0.42 0.24 0.83 0.00 0.00 0.00 176.54 178.00 3hps h GLU 237 N 1.10 0.63 -0.00 4.80 4.39 -1.04 0.48 114.58 124.94 3hps h GLU 237 Ca 0.30 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 3hps h GLU 237 Cb -0.12 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 3hps h GLU 237 CO -0.07 0.48 -0.04 0.28 -1.16 0.00 0.00 179.01 178.50 3hps h VAL 238 N 0.64 1.57 -0.22 3.13 2.07 -1.21 -3.31 116.25 118.92 3hps h VAL 238 Ca 0.16 -1.72 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 3hps h VAL 238 Cb 0.03 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3hps h VAL 238 CO -0.03 0.45 -0.15 0.40 0.02 0.00 0.00 177.57 178.26 3hps h ILE 239 N -0.68 1.22 -5.81 4.57 1.08 -0.88 -3.48 117.51 113.53 3hps h ILE 239 Ca -0.00 -0.97 -0.34 0.00 -0.39 0.00 0.00 64.86 63.15 3hps h ILE 239 Cb 0.76 1.22 0.14 0.00 -3.07 0.00 0.00 36.82 35.87 3hps h ILE 239 CO 0.01 0.31 -0.88 0.00 -0.69 0.00 0.00 178.15 176.90 3hps n ALA 240 N -2.48 -2.41 -1.38 1.87 0.00 0.16 -5.00 120.51 111.27 3hps n ALA 240 Ca -0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 3hps n ALA 240 Cb 0.32 -4.48 0.13 0.00 0.00 0.00 0.00 19.45 15.41 3hps n ALA 240 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hps s PRO 241 N -5.20 1.43 0.22 0.00 0.04 -1.26 -5.07 135.00 125.16 3hps s PRO 241 Ca 0.37 0.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 3hps s PRO 241 Cb -0.08 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3hps s PRO 241 CO 0.79 -2.07 0.17 0.95 0.04 0.00 0.00 177.00 176.87 3hps s THR 242 N -3.07 0.00 0.53 1.26 -4.23 -0.94 -4.91 115.64 104.29 3hps s THR 242 Ca 0.63 -1.98 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 3hps s THR 242 Cb -0.16 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.48 3hps s THR 242 CO 0.55 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 176.15 3hps h PRO 243 N 2.53 0.00 0.03 3.99 0.11 -1.88 -1.91 132.00 134.86 3hps h PRO 243 Ca -0.34 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.53 3hps h PRO 243 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3hps h PRO 243 CO 0.50 0.03 -1.23 0.93 -0.21 0.00 0.00 178.00 178.01 3hps h GLU 244 N 0.00 0.05 -2.24 1.05 3.07 -1.96 -3.38 114.58 111.18 3hps h GLU 244 Ca -0.00 -0.09 -0.59 0.00 -0.50 0.00 0.00 59.36 58.18 3hps h GLU 244 Cb 0.05 0.03 -0.41 0.00 -0.84 0.00 0.00 28.75 27.59 3hps h GLU 244 CO 0.00 0.93 -0.78 0.54 -1.40 0.00 0.00 179.01 178.31 3hps n ARG 245 N -3.32 1.73 -1.50 2.33 3.00 -0.91 -5.12 116.66 112.87 3hps n ARG 245 Ca -0.06 -4.10 -0.31 0.00 -0.01 0.00 0.00 57.85 53.37 3hps n ARG 245 Cb 0.98 -1.89 0.07 0.00 0.00 0.00 0.00 32.46 31.62 3hps n ARG 245 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3hps s PRO 246 N -1.80 2.56 0.17 5.56 0.04 -0.77 -2.20 135.00 138.55 3hps s PRO 246 Ca 0.36 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 3hps s PRO 246 Cb 0.13 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 3hps s PRO 246 CO -0.07 -1.36 0.41 -1.50 0.04 0.00 0.00 177.00 174.52 3hps s ILE 247 N -3.04 5.13 -0.25 0.56 2.07 -0.48 -4.65 121.20 120.54 3hps s ILE 247 Ca 0.59 0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.80 3hps s ILE 247 Cb -0.15 -3.63 -0.05 0.00 0.13 0.00 0.00 42.46 38.76 3hps s ILE 247 CO 0.55 -0.01 0.20 -0.63 -1.91 0.00 0.00 174.94 173.15 3hps s ILE 248 N -1.71 5.32 -0.27 2.00 1.01 -0.50 -0.39 121.20 126.66 3hps s ILE 248 Ca 0.42 0.25 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 3hps s ILE 248 Cb -0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3hps s ILE 248 CO 0.25 0.30 0.12 -0.36 0.00 0.00 0.00 174.94 175.25 3hps s PHE 249 N 1.30 3.14 -0.17 3.97 2.99 -0.73 -0.94 117.98 127.55 3hps s PHE 249 Ca 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 56.93 56.68 3hps s PHE 249 Cb -0.14 -2.30 -0.02 0.00 0.00 0.00 0.00 43.02 40.56 3hps s PHE 249 CO 0.07 -0.33 -0.05 1.21 -0.00 0.00 0.00 175.22 176.12 3hps s ASN 250 N 1.65 4.54 -0.49 1.36 2.47 -0.45 -0.23 114.94 123.79 3hps s ASN 250 Ca 0.06 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.11 3hps s ASN 250 Cb -0.16 -1.74 0.13 0.00 -1.45 0.00 0.00 41.25 38.03 3hps s ASN 250 CO 0.06 0.12 0.26 -0.76 -3.72 0.00 0.00 177.10 173.06 3hps s LEU 251 N 0.65 4.91 0.10 3.21 1.43 0.60 -3.97 118.68 125.62 3hps s LEU 251 Ca -0.03 -2.57 -0.24 0.00 -1.03 0.00 0.00 54.13 50.26 3hps s LEU 251 Cb -0.15 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.26 3hps s LEU 251 CO 0.02 -0.38 0.73 -2.16 0.23 0.00 0.00 176.35 174.80 3hps s PRO 252 N 0.35 4.47 -1.27 1.29 0.04 -1.26 -3.11 135.00 135.51 3hps s PRO 252 Ca 0.14 1.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.07 3hps s PRO 252 Cb -0.22 -3.29 0.12 0.00 0.04 0.00 0.00 34.50 31.15 3hps s PRO 252 CO -0.04 0.48 1.67 0.00 0.04 0.00 0.00 177.00 179.15 3hps n ALA 253 N 2.05 4.06 -0.22 8.56 0.00 -0.27 -3.22 120.51 131.49 3hps n ALA 253 Ca -0.05 -4.07 0.01 0.00 0.00 0.00 0.00 53.44 49.32 3hps n ALA 253 Cb 0.50 -3.30 0.12 0.00 0.00 0.00 0.00 19.45 16.77 3hps n ALA 253 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hps h THR 254 N 4.83 0.76 -3.49 0.00 2.02 -1.92 -2.36 112.91 112.76 3hps h THR 254 Ca 0.40 -0.15 -0.67 0.00 0.77 0.00 0.00 66.41 66.76 3hps h THR 254 Cb 0.82 0.29 -0.29 0.00 -1.74 0.00 0.00 68.15 67.23 3hps h THR 254 CO 1.42 0.08 -0.82 -0.69 0.37 0.00 0.00 175.52 175.88 3hps s VAL 255 N -6.08 2.58 -0.34 3.16 1.01 -1.26 -4.76 120.40 114.71 3hps s VAL 255 Ca -0.13 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3hps s VAL 255 Cb 0.18 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 3hps s VAL 255 CO 0.75 0.55 1.45 -0.70 0.00 0.00 0.00 175.10 177.15 3hps s GLU 256 N 0.18 3.70 -0.12 2.72 2.12 -1.24 -4.79 118.70 121.27 3hps s GLU 256 Ca -0.11 1.21 0.19 0.00 0.36 0.00 0.00 54.97 56.61 3hps s GLU 256 Cb -0.16 -4.00 -0.26 0.00 0.26 0.00 0.00 34.13 29.98 3hps s GLU 256 CO 0.06 -1.41 0.29 -1.33 -0.54 0.00 0.00 175.26 172.34 3hps n MET 257 N 7.80 0.67 -1.35 4.30 2.81 -1.26 -4.36 117.12 125.72 3hps n MET 257 Ca 0.17 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3hps n MET 257 Cb 0.47 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3hps n MET 257 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hps n THR 258 N -2.66 0.00 -1.87 2.03 5.66 -1.26 -4.87 114.28 111.30 3hps n THR 258 Ca -0.22 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.44 3hps n THR 258 Cb 0.97 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.79 3hps n THR 258 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hps s THR 259 N -2.59 3.22 0.32 1.09 -4.23 -1.26 -4.87 115.64 107.31 3hps s THR 259 Ca 0.00 0.61 0.26 0.00 -1.18 0.00 0.00 61.69 61.38 3hps s THR 259 Cb 0.00 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 70.96 3hps s THR 259 CO 0.00 -0.31 1.98 1.55 -0.54 0.00 0.00 174.62 177.31 3hps h PRO 260 N 0.31 0.00 -0.00 3.99 0.13 -1.92 -1.65 132.00 132.85 3hps h PRO 260 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 3hps h PRO 260 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3hps h PRO 260 CO 0.55 0.16 -0.21 -2.95 -0.23 0.00 0.00 178.00 175.32 3hps h ASN 261 N 0.00 0.00 0.11 1.44 -1.07 -1.92 0.10 115.58 114.24 3hps h ASN 261 Ca -0.00 -0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.11 3hps h ASN 261 Cb 0.48 -0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.76 3hps h ASN 261 CO 0.02 0.21 -1.09 0.58 0.07 0.00 0.00 177.43 177.23 3hps h VAL 262 N 0.00 1.34 -0.65 6.14 2.07 -1.67 -0.63 116.25 122.85 3hps h VAL 262 Ca -0.00 -2.41 0.05 0.00 0.82 0.00 0.00 66.70 65.15 3hps h VAL 262 Cb 0.38 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.86 3hps h VAL 262 CO 0.03 0.72 0.37 0.22 0.02 0.00 0.00 177.57 178.93 3hps h TYR 263 N 0.12 0.69 -0.71 1.57 3.20 -1.37 -1.29 116.97 119.18 3hps h TYR 263 Ca -0.17 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3hps h TYR 263 Cb 1.79 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.81 3hps h TYR 263 CO 0.13 0.35 0.43 0.00 -1.64 0.00 0.00 178.16 177.43 3hps h ALA 264 N 1.32 0.90 -0.69 1.82 0.00 -0.69 -0.42 119.26 121.49 3hps h ALA 264 Ca 0.28 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hps h ALA 264 Cb 0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hps h ALA 264 CO -0.15 0.37 0.44 -0.44 0.00 0.00 0.00 179.25 179.46 3hps h ASP 265 N 0.96 0.72 -0.80 0.00 3.32 -0.78 -0.63 116.42 119.21 3hps h ASP 265 Ca 0.25 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3hps h ASP 265 Cb -0.04 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3hps h ASP 265 CO -0.05 0.50 0.34 0.77 -1.72 0.00 0.00 179.24 179.09 3hps h SER 266 N 0.86 1.08 -0.61 6.45 4.64 -0.24 -0.49 113.55 125.23 3hps h SER 266 Ca 0.28 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3hps h SER 266 Cb 0.01 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 3hps h SER 266 CO -0.10 0.95 0.11 0.40 -0.87 0.00 0.00 176.83 177.32 3hps h ILE 267 N 1.15 1.26 -0.43 0.95 1.08 -0.62 -0.98 117.51 119.93 3hps h ILE 267 Ca 0.27 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 3hps h ILE 267 Cb 0.18 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3hps h ILE 267 CO -0.03 0.36 0.02 -0.08 -0.69 0.00 0.00 178.15 177.74 3hps h GLU 268 N 0.92 0.74 -0.20 2.37 4.81 -0.73 0.35 114.58 122.84 3hps h GLU 268 Ca 0.19 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3hps h GLU 268 Cb 0.41 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3hps h GLU 268 CO 0.01 0.80 -0.02 2.35 -0.73 0.00 0.00 179.01 181.42 3hps h TRP 269 N 0.58 -0.05 -0.78 0.92 7.01 -0.90 -1.03 115.95 121.70 3hps h TRP 269 Ca 0.12 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.17 3hps h TRP 269 Cb 0.45 0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.52 3hps h TRP 269 CO 0.03 -0.05 0.50 0.52 -2.79 0.00 0.00 178.44 176.65 3hps h MET 270 N 0.03 0.95 -0.69 2.65 2.86 -0.91 -0.39 114.93 119.43 3hps h MET 270 Ca 0.09 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3hps h MET 270 Cb 0.13 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3hps h MET 270 CO -0.18 0.63 0.25 1.03 1.06 0.00 0.00 176.91 179.70 3hps h SER 271 N 0.97 0.95 0.55 1.22 0.87 -0.65 0.52 113.55 117.98 3hps h SER 271 Ca 0.31 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 3hps h SER 271 Cb -0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 3hps h SER 271 CO -0.11 0.86 -0.77 0.03 -0.53 0.00 0.00 176.83 176.31 3hps h ARG 272 N 1.00 0.17 0.00 2.24 3.08 -0.87 -3.40 114.38 116.60 3hps h ARG 272 Ca 0.23 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3hps h ARG 272 Cb 0.22 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3hps h ARG 272 CO -0.02 0.86 -1.73 0.09 -1.07 0.00 0.00 179.97 178.10 3hps n ASN 273 N -3.72 1.79 -4.69 7.04 3.02 -0.18 -4.98 115.26 113.54 3hps n ASN 273 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 3hps n ASN 273 Cb 0.74 1.36 -0.01 0.00 -0.61 0.00 0.00 39.78 41.25 3hps n ASN 273 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hps n LEU 274 N -2.16 3.34 -4.76 3.41 7.99 0.13 -4.94 117.00 120.01 3hps n LEU 274 Ca -0.09 1.19 -0.38 0.00 -0.01 0.00 0.00 56.01 56.72 3hps n LEU 274 Cb 0.56 -1.46 0.02 0.00 -0.11 0.00 0.00 43.42 42.43 3hps n LEU 274 CO 0.29 -0.53 0.93 0.00 -1.51 0.00 0.00 177.39 176.57 3hps s ALA 275 N -0.79 2.92 -1.37 -1.18 0.00 -1.26 -3.70 121.76 116.38 3hps s ALA 275 Ca 0.59 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.68 3hps s ALA 275 Cb -0.60 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.05 3hps s ALA 275 CO 0.58 -1.07 0.94 -1.71 0.00 0.00 0.00 175.76 174.50 3hps n ASN 276 N -0.72 -3.46 -0.13 0.00 5.15 -1.26 -4.84 115.26 110.00 3hps n ASN 276 Ca 0.09 -0.72 0.16 0.00 -0.60 0.00 0.00 54.58 53.51 3hps n ASN 276 Cb 0.46 -4.39 0.54 0.00 -0.53 0.00 0.00 39.78 35.86 3hps n ASN 276 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3hps h ARG 277 N -2.11 0.33 0.00 1.20 9.65 -1.93 -0.49 114.38 121.03 3hps h ARG 277 Ca -0.59 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 3hps h ARG 277 Cb 1.36 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3hps h ARG 277 CO 0.58 0.22 0.00 0.39 2.80 0.00 0.00 179.97 183.96 3hps n GLU 278 N -4.46 0.16 -0.61 0.20 4.71 -1.26 -1.76 120.64 117.62 3hps n GLU 278 Ca 0.13 0.42 0.08 0.00 -0.01 0.00 0.00 57.16 57.79 3hps n GLU 278 Cb 0.53 -1.83 0.33 0.00 -1.01 0.00 0.00 31.44 29.46 3hps n GLU 278 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3hps n SER 279 N -2.13 4.63 -4.21 1.62 7.64 -0.19 -4.26 113.62 116.72 3hps n SER 279 Ca 0.02 -2.69 -0.30 0.00 1.01 0.00 0.00 58.87 56.90 3hps n SER 279 Cb 0.20 -0.57 -0.17 0.00 -1.01 0.00 0.00 64.21 62.67 3hps n SER 279 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hps s VAL 280 N -2.29 1.90 -0.36 0.44 1.01 -0.72 -1.38 120.40 119.00 3hps s VAL 280 Ca 0.47 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 3hps s VAL 280 Cb 0.34 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3hps s VAL 280 CO 0.17 0.53 0.35 -0.63 0.00 0.00 0.00 175.10 175.52 3hps s ILE 281 N 0.15 5.18 -0.27 2.22 1.01 0.47 -4.95 121.20 125.01 3hps s ILE 281 Ca -0.11 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 3hps s ILE 281 Cb -0.15 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3hps s ILE 281 CO 0.06 -0.14 0.58 -0.22 0.00 0.00 0.00 174.94 175.21 3hps s LEU 282 N 1.98 4.09 0.04 2.97 0.20 -1.26 -1.76 118.68 124.94 3hps s LEU 282 Ca 0.11 0.53 0.06 0.00 0.69 0.00 0.00 54.13 55.52 3hps s LEU 282 Cb -0.17 -2.76 -0.03 0.00 -0.43 0.00 0.00 46.19 42.80 3hps s LEU 282 CO 0.12 -0.37 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.11 3hps s SER 283 N 1.56 4.04 -0.01 3.68 0.15 0.69 -0.23 113.70 123.57 3hps s SER 283 Ca 0.24 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.54 3hps s SER 283 Cb -0.15 -0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 63.39 3hps s SER 283 CO 0.10 0.25 -0.06 -0.76 1.20 0.00 0.00 173.24 173.97 3hps s LEU 284 N -1.54 3.21 -0.41 3.45 1.43 -0.52 -0.29 118.68 124.00 3hps s LEU 284 Ca 0.16 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3hps s LEU 284 Cb -0.11 -1.81 0.20 0.00 0.03 0.00 0.00 46.19 44.50 3hps s LEU 284 CO 0.07 0.30 0.43 1.57 0.23 0.00 0.00 176.35 178.95 3hps n HIS 285 N 1.68 -1.01 -3.41 0.29 -0.00 -1.18 -1.00 115.22 110.58 3hps n HIS 285 Ca -0.16 -3.22 -0.38 0.00 0.46 0.00 0.00 57.72 54.42 3hps n HIS 285 Cb 0.53 0.20 -0.06 0.00 -0.12 0.00 0.00 29.99 30.53 3hps n HIS 285 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3hps s PRO 286 N -0.23 4.07 0.56 1.57 0.02 -1.26 -1.11 135.00 138.61 3hps s PRO 286 Ca 0.33 0.49 0.08 0.00 0.02 0.00 0.00 61.00 61.92 3hps s PRO 286 Cb 0.08 -3.27 0.07 0.00 0.02 0.00 0.00 34.50 31.40 3hps s PRO 286 CO -0.17 0.57 0.76 -1.01 -0.33 0.00 0.00 177.00 176.82 3hps s HIS 287 N -0.72 1.78 -0.25 6.54 3.76 -0.89 -1.82 115.29 123.69 3hps s HIS 287 Ca 0.25 -0.59 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 3hps s HIS 287 Cb -0.17 -2.35 0.46 0.00 1.11 0.00 0.00 32.58 31.63 3hps s HIS 287 CO 0.14 -1.05 1.33 -1.71 -0.85 0.00 0.00 174.74 172.61 3hps n ASN 288 N -2.22 2.08 0.13 1.40 5.15 -0.88 -4.23 115.26 116.69 3hps n ASN 288 Ca 0.14 -3.83 0.15 0.00 -0.60 0.00 0.00 54.58 50.44 3hps n ASN 288 Cb 0.61 -0.58 0.69 0.00 -0.53 0.00 0.00 39.78 39.97 3hps n ASN 288 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3hps h ASP 289 N 0.99 0.00 -0.42 1.20 3.32 -1.87 -0.58 116.42 119.05 3hps h ASP 289 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hps h ASP 289 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3hps h ASP 289 CO 0.18 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.24 3hps n ARG 290 N -4.36 2.64 -1.23 3.56 1.74 -1.26 -4.96 116.66 112.79 3hps n ARG 290 Ca 0.04 -2.16 -0.08 0.00 -0.77 0.00 0.00 57.85 54.88 3hps n ARG 290 Cb 0.36 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3hps n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hps n GLY 291 N 0.88 0.98 0.29 -0.13 0.00 -0.23 -4.93 105.19 102.06 3hps n GLY 291 Ca 0.15 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.68 3hps n GLY 291 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hps n THR 292 N -2.73 1.92 -0.13 2.61 -2.24 -1.26 -4.82 114.28 107.63 3hps n THR 292 Ca -0.08 -2.53 -0.08 0.00 -2.27 0.00 0.00 64.05 59.08 3hps n THR 292 Cb 0.28 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3hps n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hps h ALA 293 N 0.37 0.51 -0.30 6.98 0.00 -1.87 0.58 119.26 125.52 3hps h ALA 293 Ca -0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hps h ALA 293 Cb 1.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3hps h ALA 293 CO 0.00 0.01 0.04 0.28 0.00 0.00 0.00 179.25 179.58 3hps h VAL 294 N 0.52 0.83 -0.88 0.00 2.07 -1.92 -0.43 116.25 116.44 3hps h VAL 294 Ca 0.14 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3hps h VAL 294 Cb 0.01 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3hps h VAL 294 CO -0.03 0.03 0.56 0.00 0.02 0.00 0.00 177.57 178.15 3hps h ALA 295 N 1.23 1.12 -0.87 1.67 0.00 -1.82 -1.18 119.26 119.41 3hps h ALA 295 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hps h ALA 295 Cb 0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3hps h ALA 295 CO -0.20 0.55 0.51 0.00 0.00 0.00 0.00 179.25 180.11 3hps h ALA 296 N 1.31 1.12 -0.29 0.00 0.00 -0.27 -0.59 119.26 120.54 3hps h ALA 296 Ca 0.32 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3hps h ALA 296 Cb -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3hps h ALA 296 CO -0.07 0.60 -0.20 0.00 0.00 0.00 0.00 179.25 179.58 3hps h ALA 297 N 1.28 0.41 -0.16 0.00 0.00 -0.76 0.10 119.26 120.14 3hps h ALA 297 Ca 0.31 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hps h ALA 297 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hps h ALA 297 CO -0.06 0.36 -0.09 0.93 0.00 0.00 0.00 179.25 180.39 3hps h GLU 298 N 0.39 0.34 -0.34 0.00 5.08 -1.02 0.80 114.58 119.83 3hps h GLU 298 Ca 0.06 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 3hps h GLU 298 Cb 0.74 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3hps h GLU 298 CO 0.05 0.67 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.35 3hps h LEU 299 N 0.01 0.77 -1.31 1.33 3.38 -1.16 -2.11 115.31 116.21 3hps h LEU 299 Ca 0.03 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3hps h LEU 299 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3hps h LEU 299 CO 0.03 1.03 0.18 1.23 0.09 0.00 0.00 178.44 181.00 3hps h GLY 300 N 0.96 0.70 1.15 0.83 0.00 -0.70 -0.84 103.07 105.16 3hps h GLY 300 Ca 0.07 -0.34 -0.22 0.00 0.00 0.00 0.00 47.33 46.84 3hps h GLY 300 CO 0.07 0.32 -0.76 -2.75 0.00 0.00 0.00 176.54 173.42 3hps h PHE 301 N 0.65 1.04 0.00 5.60 -0.00 -0.67 -2.44 116.94 121.14 3hps h PHE 301 Ca 0.16 -0.47 -0.02 0.00 -0.00 0.00 0.00 57.97 57.64 3hps h PHE 301 Cb 0.13 -0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 35.92 3hps h PHE 301 CO 0.01 1.30 -0.10 0.00 -0.00 0.00 0.00 178.31 179.52 3hps h ALA 302 N 0.53 1.38 0.00 2.41 0.00 -1.10 -2.03 119.26 120.45 3hps h ALA 302 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hps h ALA 302 Cb 1.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hps h ALA 302 CO 0.16 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3hps n ALA 303 N -2.31 2.53 0.00 0.00 0.00 -0.34 -4.52 120.51 115.87 3hps n ALA 303 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3hps n ALA 303 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3hps n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hps n GLY 304 N 0.79 0.97 3.75 0.00 0.00 -0.77 -3.84 105.19 106.09 3hps n GLY 304 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3hps n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps s ALA 305 N -2.00 2.17 -0.11 4.61 0.00 -1.10 -4.88 121.76 120.45 3hps s ALA 305 Ca 0.00 0.37 0.16 0.00 0.00 0.00 0.00 51.96 52.49 3hps s ALA 305 Cb 0.00 -3.31 -0.24 0.00 0.00 0.00 0.00 23.12 19.57 3hps s ALA 305 CO 0.00 -1.84 0.39 -0.25 0.00 0.00 0.00 175.76 174.06 3hps n ASP 306 N -3.43 1.27 -3.75 0.00 8.00 0.67 -4.83 116.55 114.48 3hps n ASP 306 Ca 0.10 -0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 3hps n ASP 306 Cb 0.53 1.63 -0.09 0.00 -0.02 0.00 0.00 41.12 43.17 3hps n ASP 306 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hps s ARG 307 N -3.02 0.58 -0.06 -1.24 3.52 -0.94 -1.78 118.95 116.00 3hps s ARG 307 Ca -0.04 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 3hps s ARG 307 Cb 0.10 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 3hps s ARG 307 CO 0.66 -0.14 -0.04 0.42 -0.81 0.00 0.00 175.30 175.39 3hps s ILE 308 N -0.77 0.58 -0.05 4.11 1.01 -0.28 -1.44 121.20 124.36 3hps s ILE 308 Ca -0.09 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 3hps s ILE 308 Cb -0.04 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 3hps s ILE 308 CO 0.03 0.26 0.40 -1.61 0.00 0.00 0.00 174.94 174.02 3hps s GLU 309 N 1.30 4.05 0.00 2.79 2.02 -0.17 -1.09 118.70 127.60 3hps s GLU 309 Ca -0.05 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.31 3hps s GLU 309 Cb -0.14 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.80 3hps s GLU 309 CO -0.02 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.19 3hps n GLY 310 N 2.34 1.71 3.20 -1.39 0.00 -0.66 -4.41 105.19 105.99 3hps n GLY 310 Ca -0.12 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 3hps n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hps s LEU 312 N -1.71 4.38 -1.86 0.00 1.43 -1.26 -0.79 118.68 118.87 3hps s LEU 312 Ca 0.01 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3hps s LEU 312 Cb -0.10 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3hps s LEU 312 CO 0.03 -0.93 0.00 0.49 0.23 0.00 0.00 176.35 176.17 3hps n PHE 313 N 4.73 -0.82 -2.45 0.29 3.72 -1.26 -3.32 117.46 118.36 3hps n PHE 313 Ca 0.16 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.40 3hps n PHE 313 Cb 0.38 -3.89 0.00 0.00 -0.94 0.00 0.00 39.48 35.03 3hps n PHE 313 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hps n GLY 314 N -0.91 -0.27 3.72 1.37 0.00 -1.12 -4.96 105.19 103.02 3hps n GLY 314 Ca -0.24 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3hps n GLY 314 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hps s ASN 315 N -2.43 3.55 0.00 1.61 2.47 -1.21 -3.87 114.94 115.06 3hps s ASN 315 Ca 0.06 1.53 0.00 0.00 0.42 0.00 0.00 52.86 54.88 3hps s ASN 315 Cb -0.03 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 3hps s ASN 315 CO 0.08 -2.60 0.00 0.61 -3.72 0.00 0.00 177.10 171.47 3hps n GLY 316 N -1.10 1.41 3.63 1.21 0.00 -1.26 -1.10 105.19 107.98 3hps n GLY 316 Ca 0.07 -2.02 -0.49 0.00 0.00 0.00 0.00 46.02 43.58 3hps n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hps n GLU 317 N -1.69 1.60 0.00 1.61 -0.58 -1.25 -3.24 120.64 117.09 3hps n GLU 317 Ca 0.00 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 3hps n GLU 317 Cb 0.00 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 3hps n GLU 317 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hps n ARG 318 N 3.04 0.00 0.00 3.49 1.74 -1.26 -0.14 116.66 123.53 3hps n ARG 318 Ca 0.18 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.40 3hps n ARG 318 Cb 0.23 0.00 0.67 0.00 -1.02 0.00 0.00 32.46 32.34 3hps n ARG 318 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hps n THR 319 N 0.00 0.00 0.00 0.55 -2.24 -1.26 -5.02 114.28 106.31 3hps n THR 319 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3hps n THR 319 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3hps n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hps n GLY 320 N 1.31 2.11 3.86 3.38 0.00 0.81 -4.53 105.19 112.13 3hps n GLY 320 Ca 0.13 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3hps n GLY 320 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hps s ASN 321 N 0.00 5.50 0.44 1.61 -0.87 -0.26 -2.08 114.94 119.29 3hps s ASN 321 Ca 0.00 1.29 -0.25 0.00 -1.57 0.00 0.00 52.86 52.33 3hps s ASN 321 Cb 0.00 -2.16 -0.09 0.00 -0.02 0.00 0.00 41.25 38.98 3hps s ASN 321 CO 0.00 -1.32 1.27 0.55 -2.57 0.00 0.00 177.10 175.03 3hps n VAL 322 N -3.02 2.74 -2.68 1.60 3.14 -0.76 -4.33 118.33 115.02 3hps n VAL 322 Ca 0.07 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.52 3hps n VAL 322 Cb 0.56 -1.57 -0.02 0.00 -1.06 0.00 0.00 33.84 31.74 3hps n VAL 322 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hps h LEU 324 N 10.16 0.00 0.00 0.00 3.38 -1.30 -2.06 115.31 125.50 3hps h LEU 324 Ca -0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hps h LEU 324 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hps h LEU 324 CO 1.03 0.34 -0.00 0.58 0.09 0.00 0.00 178.44 180.47 3hps h VAL 325 N 0.00 1.31 -0.38 1.22 2.07 -1.91 -0.67 116.25 117.89 3hps h VAL 325 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3hps h VAL 325 Cb 0.67 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3hps h VAL 325 CO 0.04 0.24 0.24 0.74 0.02 0.00 0.00 177.57 178.86 3hps h THR 326 N -0.41 1.12 -0.70 2.57 2.02 -1.84 -0.99 112.91 114.68 3hps h THR 326 Ca -0.00 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3hps h THR 326 Cb 0.40 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3hps h THR 326 CO 0.00 0.12 0.45 -0.07 0.37 0.00 0.00 175.52 176.39 3hps h LEU 327 N 0.51 0.76 -0.17 2.58 3.38 -1.37 0.91 115.31 121.91 3hps h LEU 327 Ca 0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3hps h LEU 327 Cb -0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3hps h LEU 327 CO -0.03 0.54 -0.27 1.23 0.09 0.00 0.00 178.44 180.00 3hps h GLY 328 N 0.90 0.53 2.00 0.83 0.00 -0.78 -2.88 103.07 103.66 3hps h GLY 328 Ca 0.27 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3hps h GLY 328 CO -0.08 0.53 -0.33 1.41 0.00 0.00 0.00 176.54 178.07 3hps h LEU 329 N 0.12 0.00 -2.00 3.11 3.38 -1.15 -2.04 115.31 116.73 3hps h LEU 329 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hps h LEU 329 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hps h LEU 329 CO 0.06 0.33 -0.09 0.78 0.09 0.00 0.00 178.44 179.61 3hps h ASN 330 N 0.00 0.00 0.04 -0.43 2.35 -0.72 -1.12 115.58 115.69 3hps h ASN 330 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3hps h ASN 330 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3hps h ASN 330 CO 0.04 0.09 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.83 3hps h LEU 331 N 0.00 -0.04 -0.74 1.61 3.38 -1.24 -3.32 115.31 114.96 3hps h LEU 331 Ca -0.00 -0.57 0.16 0.00 0.09 0.00 0.00 57.88 57.56 3hps h LEU 331 Cb 0.20 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 3hps h LEU 331 CO 0.01 0.71 -0.04 0.15 0.09 0.00 0.00 178.44 179.36 3hps h PHE 332 N -0.95 -0.13 0.00 1.13 3.57 -0.68 -0.29 116.94 119.59 3hps h PHE 332 Ca -0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hps h PHE 332 Cb 0.61 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3hps h PHE 332 CO 0.16 -0.26 0.00 -1.13 -2.23 0.00 0.00 178.31 174.85 3hps n SER 333 N -5.38 0.00 -0.78 0.41 3.41 -0.44 -1.56 113.62 109.28 3hps n SER 333 Ca 0.12 0.18 0.04 0.00 -0.26 0.00 0.00 58.87 58.95 3hps n SER 333 Cb 0.45 -0.38 0.20 0.00 -0.26 0.00 0.00 64.21 64.22 3hps n SER 333 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hps n ARG 334 N -1.38 1.94 -1.25 4.33 5.12 -0.39 -4.98 116.66 120.05 3hps n ARG 334 Ca 0.09 -3.01 -0.05 0.00 -1.93 0.00 0.00 57.85 52.95 3hps n ARG 334 Cb 0.22 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 3hps n ARG 334 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hps n GLY 335 N -1.04 0.73 3.34 -0.13 0.00 -0.60 -5.05 105.19 102.44 3hps n GLY 335 Ca 0.24 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3hps n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hps s VAL 336 N -2.21 3.11 -0.08 1.61 1.01 -0.26 -4.99 120.40 118.60 3hps s VAL 336 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3hps s VAL 336 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3hps s VAL 336 CO 0.00 0.50 1.60 -0.62 0.00 0.00 0.00 175.10 176.58 3hps s ASP 337 N 0.72 6.68 0.06 3.32 2.15 -1.26 -1.91 116.67 126.43 3hps s ASP 337 Ca -0.05 2.12 0.24 0.00 0.43 0.00 0.00 52.55 55.29 3hps s ASP 337 Cb -0.15 -2.53 0.98 0.00 -0.30 0.00 0.00 42.92 40.92 3hps s ASP 337 CO 0.02 -0.93 1.76 -0.81 -0.17 0.00 0.00 175.17 175.04 3hps n PRO 338 N 7.10 0.06 -1.88 4.34 -0.04 -1.26 -3.99 135.00 139.33 3hps n PRO 338 Ca 0.17 0.14 -0.15 0.00 -0.04 0.00 0.00 63.50 63.62 3hps n PRO 338 Cb 0.43 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 3hps n PRO 338 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hps n GLN 339 N -1.70 -1.14 -4.16 0.54 6.02 -1.26 -4.86 117.38 110.82 3hps n GLN 339 Ca 0.05 0.89 -0.16 0.00 -0.01 0.00 0.00 57.00 57.77 3hps n GLN 339 Cb 0.30 -5.14 -0.14 0.00 1.02 0.00 0.00 30.24 26.29 3hps n GLN 339 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hps s ILE 340 N -2.67 0.51 -0.32 5.09 -1.09 -1.26 -4.78 121.20 116.68 3hps s ILE 340 Ca 0.00 -0.49 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 3hps s ILE 340 Cb 0.00 -0.47 -0.01 0.00 -1.58 0.00 0.00 42.46 40.40 3hps s ILE 340 CO 0.00 -0.00 0.61 -0.62 -1.23 0.00 0.00 174.94 173.69 3hps s ASP 341 N -0.54 6.45 -0.17 3.58 2.15 0.09 -4.89 116.67 123.34 3hps s ASP 341 Ca -0.01 0.33 0.16 0.00 0.43 0.00 0.00 52.55 53.46 3hps s ASP 341 Cb -0.04 -2.32 0.37 0.00 -0.30 0.00 0.00 42.92 40.63 3hps s ASP 341 CO -0.00 -0.48 1.23 0.49 -0.17 0.00 0.00 175.17 176.24 3hps n PHE 342 N 5.86 0.20 0.31 -5.34 3.72 -1.26 -4.78 117.46 116.17 3hps n PHE 342 Ca -0.02 -1.16 0.17 0.00 -0.05 0.00 0.00 57.45 56.39 3hps n PHE 342 Cb 0.49 -0.22 0.73 0.00 -0.94 0.00 0.00 39.48 39.54 3hps n PHE 342 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hps h SER 343 N 0.56 0.00 -2.72 4.37 0.02 -1.86 -3.19 113.55 110.73 3hps h SER 343 Ca 0.02 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.37 3hps h SER 343 Cb 1.11 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.25 3hps h SER 343 CO 0.06 0.00 -0.81 0.21 -1.14 0.00 0.00 176.83 175.15 3hps s ASN 344 N -5.15 2.89 0.38 3.07 3.84 -1.25 -1.84 114.94 116.87 3hps s ASN 344 Ca 0.00 -3.31 0.17 0.00 0.21 0.00 0.00 52.86 49.93 3hps s ASN 344 Cb 0.10 -0.93 0.73 0.00 -0.55 0.00 0.00 41.25 40.60 3hps s ASN 344 CO 0.46 -0.15 1.77 -0.29 -2.79 0.00 0.00 177.10 176.11 3hps h ILE 345 N 4.59 1.01 -0.45 -5.21 2.10 -1.17 -2.66 117.51 115.73 3hps h ILE 345 Ca 0.20 -1.45 -0.08 0.00 1.08 0.00 0.00 64.86 64.61 3hps h ILE 345 Cb 0.85 1.84 -0.02 0.00 -1.09 0.00 0.00 36.82 38.41 3hps h ILE 345 CO 0.51 0.37 -0.06 0.44 -1.08 0.00 0.00 178.15 178.33 3hps h ASP 346 N 0.00 0.74 -0.62 2.19 3.32 -1.90 0.31 116.42 120.46 3hps h ASP 346 Ca -0.00 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 3hps h ASP 346 Cb 0.81 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3hps h ASP 346 CO 0.05 0.85 0.04 -0.08 -1.72 0.00 0.00 179.24 178.37 3hps h GLU 347 N 0.71 1.08 -0.14 3.56 4.81 -1.87 0.12 114.58 122.84 3hps h GLU 347 Ca 0.13 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3hps h GLU 347 Cb 0.51 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hps h GLU 347 CO 0.03 1.03 0.07 0.82 -0.73 0.00 0.00 179.01 180.22 3hps h ILE 348 N 0.99 1.13 -0.26 2.32 2.04 -1.25 -2.04 117.51 120.44 3hps h ILE 348 Ca 0.18 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3hps h ILE 348 Cb 0.52 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3hps h ILE 348 CO 0.02 0.12 0.17 -0.09 0.00 0.00 0.00 178.15 178.38 3hps h ARG 349 N 0.10 0.34 -0.81 2.37 2.43 -0.66 0.42 114.38 118.58 3hps h ARG 349 Ca 0.05 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3hps h ARG 349 Cb 0.13 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3hps h ARG 349 CO -0.01 0.23 0.35 0.00 -1.51 0.00 0.00 179.97 179.03 3hps h ARG 350 N 0.35 1.18 -0.27 0.20 3.08 -0.75 0.11 114.38 118.28 3hps h ARG 350 Ca 0.10 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3hps h ARG 350 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3hps h ARG 350 CO -0.02 0.93 -0.05 1.15 -1.07 0.00 0.00 179.97 180.91 3hps h THR 351 N 1.16 1.28 -0.67 2.04 2.02 -1.03 -1.42 112.91 116.28 3hps h THR 351 Ca 0.27 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.42 3hps h THR 351 Cb 0.17 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3hps h THR 351 CO -0.03 0.33 0.42 0.58 0.37 0.00 0.00 175.52 177.19 3hps h VAL 352 N 0.28 1.09 -0.58 3.16 2.07 -0.58 -0.47 116.25 121.21 3hps h VAL 352 Ca 0.07 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 3hps h VAL 352 Cb 0.52 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3hps h VAL 352 CO 0.02 0.15 -0.06 -0.33 0.02 0.00 0.00 177.57 177.38 3hps h GLU 353 N 0.82 1.06 -0.07 1.57 5.08 -0.93 0.99 114.58 123.09 3hps h GLU 353 Ca 0.27 -0.37 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3hps h GLU 353 Cb 0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3hps h GLU 353 CO -0.11 1.06 -0.04 -0.92 -1.00 0.00 0.00 179.01 178.00 3hps h TYR 354 N 0.94 -0.10 -0.33 4.33 3.20 -0.92 0.15 116.97 124.24 3hps h TYR 354 Ca 0.16 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3hps h TYR 354 Cb 0.63 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3hps h TYR 354 CO 0.04 -0.07 0.06 0.00 -1.64 0.00 0.00 178.16 176.55 3hps h ASN 356 N 0.38 0.00 -4.92 0.00 2.35 -0.84 -3.43 115.58 109.12 3hps h ASN 356 Ca 0.10 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.45 3hps h ASN 356 Cb 0.34 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.74 3hps h ASN 356 CO 0.01 0.36 -0.61 0.00 -1.65 0.00 0.00 177.43 175.54 3hps n GLN 357 N -2.82 -4.82 -4.14 0.81 6.02 0.52 -4.78 117.38 108.18 3hps n GLN 357 Ca -0.06 0.78 -0.17 0.00 -0.01 0.00 0.00 57.00 57.54 3hps n GLN 357 Cb 0.73 -5.63 -0.15 0.00 1.02 0.00 0.00 30.24 26.21 3hps n GLN 357 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hps s LEU 358 N -6.72 1.67 0.54 1.08 1.02 -1.25 -5.01 118.68 110.01 3hps s LEU 358 Ca 0.37 -0.10 -0.18 0.00 0.02 0.00 0.00 54.13 54.24 3hps s LEU 358 Cb -0.17 -0.33 -0.06 0.00 0.02 0.00 0.00 46.19 45.65 3hps s LEU 358 CO 0.46 0.00 1.06 -2.16 0.02 0.00 0.00 176.35 175.73 3hps s PRO 359 N 0.37 3.53 -0.11 1.29 0.04 -1.26 -4.44 135.00 134.42 3hps s PRO 359 Ca -0.04 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.08 3hps s PRO 359 Cb -0.08 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3hps s PRO 359 CO -0.00 -0.66 0.92 0.08 0.04 0.00 0.00 177.00 177.38 3hps s VAL 360 N -2.10 4.85 0.53 -0.36 1.01 -1.26 -5.03 120.40 118.03 3hps s VAL 360 Ca 0.67 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 64.30 3hps s VAL 360 Cb -0.18 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 3hps s VAL 360 CO 0.27 0.05 1.15 1.57 0.00 0.00 0.00 175.10 178.15 3hps n HIS 361 N 4.85 1.58 -0.05 5.22 -0.00 -1.26 -4.81 115.22 120.75 3hps n HIS 361 Ca 0.06 0.46 0.23 0.00 0.46 0.00 0.00 57.72 58.93 3hps n HIS 361 Cb 0.49 -2.26 0.70 0.00 -0.12 0.00 0.00 29.99 28.80 3hps n HIS 361 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3hps h GLU 362 N 1.19 0.00 -0.46 1.57 3.07 -1.96 -1.28 114.58 116.72 3hps h GLU 362 Ca -0.49 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3hps h GLU 362 Cb 1.33 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3hps h GLU 362 CO 0.55 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.70 3hps n ARG 363 N -4.34 3.02 -1.95 2.33 1.74 -1.26 -1.46 116.66 114.74 3hps n ARG 363 Ca 0.12 -2.43 -0.42 0.00 -0.77 0.00 0.00 57.85 54.35 3hps n ARG 363 Cb 0.71 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 3hps n ARG 363 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hps s HIS 364 N -1.44 3.03 0.18 -1.55 2.46 -0.48 -4.83 115.29 112.66 3hps s HIS 364 Ca 0.36 0.77 -0.33 0.00 0.47 0.00 0.00 55.06 56.33 3hps s HIS 364 Cb 0.22 -3.90 -0.15 0.00 -0.13 0.00 0.00 32.58 28.61 3hps s HIS 364 CO 0.19 -3.18 1.18 -2.30 -2.47 0.00 0.00 174.74 168.17 3hps n PRO 365 N 3.32 1.24 0.00 2.88 -0.02 -1.26 -0.75 135.00 140.42 3hps n PRO 365 Ca 0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3hps n PRO 365 Cb 0.39 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3hps n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hps n TYR 366 N 1.51 0.00 -0.01 6.00 4.01 -1.26 -4.38 117.16 123.02 3hps n TYR 366 Ca 0.15 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.95 3hps n TYR 366 Cb 0.25 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.16 3hps n TYR 366 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hps n GLY 367 N 0.00 -0.72 3.75 2.72 0.00 -1.10 -5.00 105.19 104.84 3hps n GLY 367 Ca 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3hps n GLY 367 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hps s GLY 368 N -3.90 2.62 0.39 -0.02 0.00 0.07 -4.91 107.32 101.57 3hps s GLY 368 Ca -0.06 0.94 0.15 0.00 0.00 0.00 0.00 44.72 45.76 3hps s GLY 368 CO 0.65 1.33 1.82 -0.55 0.00 0.00 0.00 173.10 176.35 3hps h ASP 369 N 0.61 0.49 -0.01 1.64 3.32 -1.63 -2.97 116.42 117.88 3hps h ASP 369 Ca -0.50 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3hps h ASP 369 Cb 1.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3hps h ASP 369 CO 0.54 0.17 -0.13 0.18 -1.72 0.00 0.00 179.24 178.28 3hps n LEU 370 N -4.58 2.47 0.08 1.55 4.77 -0.53 -4.59 117.00 116.17 3hps n LEU 370 Ca 0.21 -0.84 0.12 0.00 -0.03 0.00 0.00 56.01 55.48 3hps n LEU 370 Cb 0.71 -0.01 0.46 0.00 -2.33 0.00 0.00 43.42 42.25 3hps n LEU 370 CO 0.28 0.42 0.87 1.33 -1.33 0.00 0.00 177.39 178.97 3hps n VAL 371 N 0.76 0.60 -1.33 4.08 0.24 -1.12 -2.25 118.33 119.31 3hps n VAL 371 Ca 0.13 -0.02 0.03 0.00 -2.04 0.00 0.00 64.34 62.44 3hps n VAL 371 Cb 0.52 -0.78 0.20 0.00 -1.47 0.00 0.00 33.84 32.31 3hps n VAL 371 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3hps n TYR 372 N -2.03 0.59 -4.06 6.34 4.01 -1.26 -4.99 117.16 115.76 3hps n TYR 372 Ca 0.05 -1.33 -0.32 0.00 -0.16 0.00 0.00 57.90 56.14 3hps n TYR 372 Cb 0.33 -0.33 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 3hps n TYR 372 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3hps s THR 373 N -3.10 4.76 -0.06 -0.72 2.01 -0.95 -1.49 115.64 116.09 3hps s THR 373 Ca 0.40 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.90 3hps s THR 373 Cb 0.36 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3hps s THR 373 CO 0.00 0.26 -0.07 0.00 -0.69 0.00 0.00 174.62 174.13 3hps s ALA 374 N -1.29 0.95 -0.19 7.40 0.00 -0.49 -4.96 121.76 123.17 3hps s ALA 374 Ca 0.26 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3hps s ALA 374 Cb -0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 23.12 22.29 3hps s ALA 374 CO 0.18 -0.09 -0.14 1.19 0.00 0.00 0.00 175.76 176.90 3hps n PHE 375 N 4.23 0.00 -1.95 0.00 3.01 -1.26 -1.61 117.46 119.89 3hps n PHE 375 Ca -0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.84 3hps n PHE 375 Cb 0.51 -0.76 -0.03 0.00 -0.01 0.00 0.00 39.48 39.19 3hps n PHE 375 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hps s SER 376 N -5.77 6.59 0.23 4.37 0.15 -1.26 -4.88 113.70 113.13 3hps s SER 376 Ca -0.24 2.64 -0.06 0.00 0.70 0.00 0.00 55.95 58.99 3hps s SER 376 Cb 0.07 -2.60 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 3hps s SER 376 CO 0.48 -0.80 1.76 1.23 1.20 0.00 0.00 173.24 177.11 3hps h GLY 377 N 6.31 1.07 1.38 9.45 0.00 -1.95 -0.90 103.07 118.42 3hps h GLY 377 Ca -0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 3hps h GLY 377 CO 0.88 -0.00 0.03 1.48 0.00 0.00 0.00 176.54 178.92 3hps h SER 378 N 0.53 0.72 -0.32 0.19 4.64 -1.99 -0.74 113.55 116.58 3hps h SER 378 Ca 0.37 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3hps h SER 378 Cb 0.45 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3hps h SER 378 CO -0.32 0.77 0.02 0.45 -0.87 0.00 0.00 176.83 176.88 3hps h HIS 379 N 0.72 0.59 -0.64 4.77 -0.00 -1.85 -1.70 115.15 117.05 3hps h HIS 379 Ca 0.15 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 3hps h HIS 379 Cb 0.40 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 3hps h HIS 379 CO 0.02 0.66 0.41 1.96 -0.00 0.00 0.00 177.93 180.98 3hps h GLN 380 N 0.35 0.80 -0.28 2.45 4.20 -0.88 -0.09 115.11 121.67 3hps h GLN 380 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hps h GLN 380 Cb 0.41 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hps h GLN 380 CO 0.01 0.53 0.18 0.22 -0.67 0.00 0.00 178.83 179.10 3hps h ASP 381 N 0.82 0.33 -0.45 1.46 3.58 -1.07 -1.05 116.42 120.04 3hps h ASP 381 Ca 0.24 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 3hps h ASP 381 Cb -0.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 3hps h ASP 381 CO -0.08 0.25 0.03 0.00 -2.88 0.00 0.00 179.24 176.57 3hps h ALA 382 N 1.09 1.08 -0.22 -0.78 0.00 -0.90 -0.82 119.26 118.72 3hps h ALA 382 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hps h ALA 382 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hps h ALA 382 CO -0.02 0.58 0.10 0.82 0.00 0.00 0.00 179.25 180.74 3hps h ILE 383 N 0.79 1.14 -0.74 0.00 2.04 -0.78 -0.47 117.51 119.49 3hps h ILE 383 Ca 0.16 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.68 3hps h ILE 383 Cb 0.44 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3hps h ILE 383 CO 0.02 0.14 0.41 0.78 0.00 0.00 0.00 178.15 179.50 3hps h ASN 384 N 0.22 0.60 -0.67 1.72 2.35 -0.91 0.66 115.58 119.54 3hps h ASN 384 Ca 0.07 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3hps h ASN 384 Cb 0.13 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3hps h ASN 384 CO -0.01 0.37 0.17 0.11 -1.65 0.00 0.00 177.43 176.43 3hps h LYS 385 N 0.74 1.07 -0.35 0.81 1.57 -0.96 0.19 116.57 119.64 3hps h LYS 385 Ca 0.34 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3hps h LYS 385 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hps h LYS 385 CO -0.21 0.95 0.16 0.78 -0.57 0.00 0.00 179.45 180.57 3hps h GLY 386 N 1.00 0.54 0.96 3.86 0.00 -0.57 -0.86 103.07 107.99 3hps h GLY 386 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3hps h GLY 386 CO 0.00 0.25 0.15 1.41 0.00 0.00 0.00 176.54 178.36 3hps h LEU 387 N 0.42 0.33 -0.65 3.11 4.07 -0.71 -1.21 115.31 120.67 3hps h LEU 387 Ca 0.12 -0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.01 3hps h LEU 387 Cb 0.12 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 3hps h LEU 387 CO -0.01 0.31 0.43 0.44 -1.08 0.00 0.00 178.44 178.52 3hps h ASP 388 N 0.33 0.73 -0.51 -0.43 3.45 -0.81 -1.35 116.42 117.84 3hps h ASP 388 Ca 0.10 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.46 3hps h ASP 388 Cb 0.05 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 3hps h ASP 388 CO -0.02 0.53 0.05 0.00 -1.57 0.00 0.00 179.24 178.23 3hps h ALA 389 N 1.25 1.03 -0.47 3.45 0.00 -0.85 -0.97 119.26 122.69 3hps h ALA 389 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hps h ALA 389 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hps h ALA 389 CO -0.06 0.61 0.26 0.52 0.00 0.00 0.00 179.25 180.58 3hps h MET 390 N 0.86 0.65 -0.55 0.00 2.86 -0.92 -1.41 114.93 116.42 3hps h MET 390 Ca 0.17 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3hps h MET 390 Cb 0.45 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3hps h MET 390 CO 0.02 0.50 0.37 0.87 1.06 0.00 0.00 176.91 179.72 3hps h LYS 391 N 0.62 0.72 -0.56 1.72 1.57 -0.85 -1.19 116.57 118.60 3hps h LYS 391 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hps h LYS 391 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3hps h LYS 391 CO -0.03 0.48 0.36 1.37 -0.57 0.00 0.00 179.45 181.06 3hps h LEU 392 N 0.75 0.65 -1.15 2.94 -0.00 -1.00 -0.47 115.31 117.03 3hps h LEU 392 Ca 0.20 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 3hps h LEU 392 Cb -0.08 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 3hps h LEU 392 CO -0.05 0.49 0.02 0.44 -0.00 0.00 0.00 178.44 179.35 3hps h ASP 393 N 0.76 0.58 -0.20 0.17 3.32 -1.00 -2.35 116.42 117.70 3hps h ASP 393 Ca 0.20 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3hps h ASP 393 Cb -0.07 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3hps h ASP 393 CO -0.04 0.64 -0.07 0.00 -1.72 0.00 0.00 179.24 178.05 3hps h ALA 394 N 1.44 0.28 -0.76 3.45 0.00 -0.81 -2.22 119.26 120.65 3hps h ALA 394 Ca 0.13 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hps h ALA 394 Cb 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3hps h ALA 394 CO 0.01 0.08 0.44 -0.44 0.00 0.00 0.00 179.25 179.34 3hps h ASP 395 N 0.11 0.66 0.70 0.00 3.32 -0.98 -1.25 116.42 118.98 3hps h ASP 395 Ca 0.05 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3hps h ASP 395 Cb 0.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3hps h ASP 395 CO 0.02 0.41 -0.44 0.00 -1.72 0.00 0.00 179.24 177.52 3hps h ALA 396 N 1.39 1.04 -0.60 3.45 0.00 -1.37 -3.01 119.26 120.16 3hps h ALA 396 Ca 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hps h ALA 396 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hps h ALA 396 CO -0.19 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3hps n ALA 397 N -2.35 2.62 -3.80 0.00 0.00 -0.81 -4.96 120.51 111.21 3hps n ALA 397 Ca -0.01 -1.17 -0.29 0.00 0.00 0.00 0.00 53.44 51.97 3hps n ALA 397 Cb 0.52 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.00 3hps n ALA 397 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hps n ASP 398 N 1.17 -4.95 -3.87 0.00 9.92 -0.70 -4.97 116.55 113.15 3hps n ASP 398 Ca 0.21 -0.98 -0.10 0.00 -0.53 0.00 0.00 54.79 53.38 3hps n ASP 398 Cb 0.61 -2.09 -0.09 0.00 -0.64 0.00 0.00 41.12 38.92 3hps n ASP 398 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hps s ASP 400 N -1.93 7.16 0.49 0.00 -1.08 -1.26 -4.49 116.67 115.56 3hps s ASP 400 Ca -0.07 1.47 0.18 0.00 -0.52 0.00 0.00 52.55 53.61 3hps s ASP 400 Cb -0.03 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 40.10 3hps s ASP 400 CO -0.03 -0.57 2.03 1.62 0.52 0.00 0.00 175.17 178.74 3hps h VAL 401 N 5.28 0.87 0.00 1.11 3.04 -1.91 -0.94 116.25 123.70 3hps h VAL 401 Ca -0.25 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3hps h VAL 401 Cb 1.10 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 3hps h VAL 401 CO 0.92 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.98 3hps n ASP 402 N -4.45 0.00 -0.60 3.17 8.00 -1.26 -2.21 116.55 119.19 3hps n ASP 402 Ca 0.06 0.45 0.09 0.00 0.71 0.00 0.00 54.79 56.11 3hps n ASP 402 Cb 0.37 -0.48 0.04 0.00 -0.02 0.00 0.00 41.12 41.04 3hps n ASP 402 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hps n ASP 403 N -1.48 2.22 -4.98 -2.24 8.00 -0.36 -5.02 116.55 112.69 3hps n ASP 403 Ca 0.04 -1.61 -0.20 0.00 0.71 0.00 0.00 54.79 53.74 3hps n ASP 403 Cb 0.18 0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 3hps n ASP 403 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hps s MET 404 N -1.87 3.20 -0.30 -1.24 -1.94 -0.94 -5.01 119.30 111.21 3hps s MET 404 Ca 0.19 -0.94 -0.42 0.00 -1.71 0.00 0.00 55.69 52.81 3hps s MET 404 Cb 0.16 -2.83 -0.18 0.00 2.01 0.00 0.00 34.83 33.99 3hps s MET 404 CO 0.35 0.19 1.60 -0.11 -0.01 0.00 0.00 175.02 177.05 3hps n LEU 405 N -1.55 1.72 -4.66 -0.03 7.94 -1.26 -4.87 117.00 114.30 3hps n LEU 405 Ca -0.03 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.57 3hps n LEU 405 Cb 0.58 -1.04 -0.02 0.00 0.53 0.00 0.00 43.42 43.46 3hps n LEU 405 CO 0.43 -0.75 1.17 0.86 -1.11 0.00 0.00 177.39 178.00 3hps s TRP 406 N 2.79 2.58 -0.44 1.96 -0.11 -1.26 -4.95 118.94 119.50 3hps s TRP 406 Ca 0.99 0.74 0.06 0.00 1.22 0.00 0.00 56.10 59.11 3hps s TRP 406 Cb -1.22 -3.64 0.21 0.00 -1.50 0.00 0.00 33.47 27.32 3hps s TRP 406 CO 0.69 -2.43 0.47 1.04 -4.62 0.00 0.00 176.95 172.10 3hps n GLN 407 N 6.65 0.73 -3.77 5.86 1.13 -1.26 -5.07 117.38 121.65 3hps n GLN 407 Ca 0.15 -3.40 -0.23 0.00 -1.94 0.00 0.00 57.00 51.58 3hps n GLN 407 Cb 0.44 -1.54 -0.18 0.00 0.11 0.00 0.00 30.24 29.08 3hps n GLN 407 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hps s VAL 408 N -0.83 0.38 0.45 5.09 1.01 -1.26 -4.64 120.40 120.60 3hps s VAL 408 Ca 0.34 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 3hps s VAL 408 Cb 0.11 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 3hps s VAL 408 CO -0.14 0.25 1.24 -2.65 0.00 0.00 0.00 175.10 173.80 3hps n PRO 409 N 5.14 1.77 -0.39 2.72 -0.02 -1.26 -2.88 135.00 140.08 3hps n PRO 409 Ca -0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3hps n PRO 409 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3hps n PRO 409 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hps n TYR 410 N -0.46 0.00 -3.87 6.00 4.02 -1.26 -4.48 117.16 117.10 3hps n TYR 410 Ca 0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.66 3hps n TYR 410 Cb 0.41 -0.12 -0.15 0.00 -0.02 0.00 0.00 39.34 39.46 3hps n TYR 410 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hps s LEU 411 N 0.00 3.38 0.50 7.72 1.43 -1.14 -5.00 118.68 125.57 3hps s LEU 411 Ca 0.00 -1.85 0.15 0.00 -1.03 0.00 0.00 54.13 51.39 3hps s LEU 411 Cb 0.00 -1.22 1.19 0.00 0.03 0.00 0.00 46.19 46.19 3hps s LEU 411 CO 0.00 -0.39 2.13 1.55 0.23 0.00 0.00 176.35 179.86 3hps h PRO 412 N 7.87 0.08 -4.93 1.29 0.13 -1.92 -3.43 132.00 131.10 3hps h PRO 412 Ca -0.09 -0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.74 3hps h PRO 412 Cb 1.02 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.98 3hps h PRO 412 CO 0.49 0.07 -0.71 0.96 -0.23 0.00 0.00 178.00 178.58 3hps s ILE 413 N -5.11 0.99 -0.09 -3.56 -4.36 -1.26 -5.00 121.20 102.82 3hps s ILE 413 Ca -0.05 -1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 58.08 3hps s ILE 413 Cb 0.17 -1.72 -0.06 0.00 1.25 0.00 0.00 42.46 42.10 3hps s ILE 413 CO 0.68 -0.76 1.78 -0.62 0.24 0.00 0.00 174.94 176.26 3hps s ASP 414 N -3.02 6.42 0.57 4.36 3.68 -1.26 -4.88 116.67 122.53 3hps s ASP 414 Ca 0.14 2.16 0.25 0.00 2.13 0.00 0.00 52.55 57.23 3hps s ASP 414 Cb 0.03 -2.53 1.57 0.00 -1.45 0.00 0.00 42.92 40.54 3hps s ASP 414 CO -0.01 -1.15 2.14 -0.65 0.13 0.00 0.00 175.17 175.63 3hps h PRO 415 N 10.67 0.00 0.00 4.34 0.11 -1.94 0.14 132.00 145.32 3hps h PRO 415 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3hps h PRO 415 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hps h PRO 415 CO 0.96 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.71 3hps h ARG 416 N 0.00 0.00 0.00 1.05 -0.00 -1.84 0.47 114.38 114.06 3hps h ARG 416 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 3hps h ARG 416 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.29 3hps h ARG 416 CO -0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.97 179.76 3hps n ASP 417 N -3.54 0.06 -0.07 7.04 8.00 0.04 -1.72 116.55 126.36 3hps n ASP 417 Ca -0.02 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.05 3hps n ASP 417 Cb 0.14 -0.52 0.09 0.00 -0.02 0.00 0.00 41.12 40.81 3hps n ASP 417 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hps n VAL 418 N -1.56 1.55 -1.07 2.53 0.24 -0.75 -4.37 118.33 114.89 3hps n VAL 418 Ca 0.05 -1.81 -0.02 0.00 -2.04 0.00 0.00 64.34 60.52 3hps n VAL 418 Cb 0.25 0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.61 3hps n VAL 418 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 419 N -1.11 0.58 3.97 7.63 0.00 -0.70 -1.29 105.19 114.28 3hps n GLY 419 Ca 0.11 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 3hps n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hps s ARG 420 N -1.54 2.23 -0.02 1.61 1.81 0.08 -4.89 118.95 118.23 3hps s ARG 420 Ca 0.00 -1.91 0.03 0.00 -1.72 0.00 0.00 55.73 52.13 3hps s ARG 420 Cb 0.00 -2.33 -0.00 0.00 -0.45 0.00 0.00 34.95 32.17 3hps s ARG 420 CO 0.00 -0.82 -0.10 0.99 -0.68 0.00 0.00 175.30 174.69 3hps s THR 421 N -2.77 0.84 0.27 0.02 2.01 -1.26 -2.63 115.64 112.11 3hps s THR 421 Ca 0.46 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 3hps s THR 421 Cb -0.04 -0.73 -0.11 0.00 0.01 0.00 0.00 72.50 71.63 3hps s THR 421 CO 0.29 0.25 1.60 -0.47 -0.69 0.00 0.00 174.62 175.60 3hps s TYR 422 N 0.03 2.83 -0.23 4.92 5.04 -1.26 -4.88 117.35 123.80 3hps s TYR 422 Ca -0.01 0.73 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 3hps s TYR 422 Cb -0.07 -4.05 0.05 0.00 0.35 0.00 0.00 41.96 38.25 3hps s TYR 422 CO 0.00 -3.60 -0.09 -2.00 -1.34 0.00 0.00 175.55 168.52 3hps s GLU 423 N -0.11 1.97 -0.41 4.97 2.12 -0.55 -5.02 118.70 121.67 3hps s GLU 423 Ca 0.65 -1.02 -0.21 0.00 0.36 0.00 0.00 54.97 54.75 3hps s GLU 423 Cb -0.47 -2.60 0.02 0.00 0.26 0.00 0.00 34.13 31.34 3hps s GLU 423 CO 0.44 -0.51 0.67 0.00 -0.54 0.00 0.00 175.26 175.32 3hps s ALA 424 N 1.32 3.38 -0.12 6.30 0.00 -1.26 -1.40 121.76 129.97 3hps s ALA 424 Ca -0.05 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3hps s ALA 424 Cb -0.18 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3hps s ALA 424 CO -0.07 -1.65 0.44 0.08 0.00 0.00 0.00 175.76 174.57 3hps s VAL 425 N 2.88 5.20 -0.15 0.00 1.01 -0.63 -4.46 120.40 124.26 3hps s VAL 425 Ca 0.25 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 3hps s VAL 425 Cb -0.14 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3hps s VAL 425 CO 0.18 0.35 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 3hps s ILE 426 N 0.54 3.41 0.31 2.22 -1.09 -1.26 -4.62 121.20 120.70 3hps s ILE 426 Ca 0.24 -0.53 -0.27 0.00 -2.23 0.00 0.00 60.65 57.86 3hps s ILE 426 Cb -0.15 -2.47 -0.10 0.00 -1.58 0.00 0.00 42.46 38.17 3hps s ILE 426 CO 0.09 0.51 0.97 -0.13 -1.23 0.00 0.00 174.94 175.14 3hps s ARG 427 N 0.42 4.62 -0.37 2.79 3.00 -1.26 -4.61 118.95 123.55 3hps s ARG 427 Ca -0.07 1.43 -0.16 0.00 0.00 0.00 0.00 55.73 56.93 3hps s ARG 427 Cb -0.15 -2.93 -0.00 0.00 0.00 0.00 0.00 34.95 31.87 3hps s ARG 427 CO 0.04 0.29 0.38 0.08 0.00 0.00 0.00 175.30 176.09 3hps s VAL 428 N -1.48 5.15 -0.83 3.52 1.01 -1.26 -2.13 120.40 124.38 3hps s VAL 428 Ca 0.48 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 3hps s VAL 428 Cb -0.22 -3.88 0.22 0.00 0.00 0.00 0.00 36.38 32.50 3hps s VAL 428 CO 0.28 -0.19 0.76 0.54 0.00 0.00 0.00 175.10 176.49 3hps s ASN 429 N 1.75 6.66 0.01 3.32 6.03 0.30 -4.51 114.94 128.49 3hps s ASN 429 Ca 0.12 -2.80 -0.10 0.00 -1.03 0.00 0.00 52.86 49.05 3hps s ASN 429 Cb -0.17 -2.17 -0.05 0.00 -3.03 0.00 0.00 41.25 35.83 3hps s ASN 429 CO 0.12 -0.52 0.26 1.17 -2.03 0.00 0.00 177.10 176.09 3hps n LYS 434 N 3.80 0.00 -0.47 3.55 3.00 -1.26 -4.56 118.16 122.22 3hps n LYS 434 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 3hps n LYS 434 Cb 0.45 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 35.11 3hps n LYS 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hps n GLY 435 N 0.41 6.85 0.00 3.14 0.00 -1.26 -4.88 105.19 109.45 3hps n GLY 435 Ca 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3hps n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hps n GLY 436 N 4.63 2.12 0.26 -0.02 0.00 -1.26 -4.59 105.19 106.33 3hps n GLY 436 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3hps n GLY 436 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hps h VAL 437 N 0.00 0.47 -0.45 1.61 2.07 -1.96 -2.06 116.25 115.92 3hps h VAL 437 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3hps h VAL 437 Cb 0.00 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 3hps h VAL 437 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 3hps h ALA 438 N 0.49 0.41 0.11 1.67 0.00 -1.97 -0.83 119.26 119.15 3hps h ALA 438 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hps h ALA 438 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hps h ALA 438 CO -0.20 -0.39 -0.05 -0.92 0.00 0.00 0.00 179.25 177.68 3hps h TYR 439 N 0.10 -0.14 -0.63 0.00 3.20 -1.74 -2.63 116.97 115.13 3hps h TYR 439 Ca 0.23 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 3hps h TYR 439 Cb 0.33 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 3hps h TYR 439 CO -0.30 0.17 0.40 0.82 -1.64 0.00 0.00 178.16 177.61 3hps h ILE 440 N -0.46 1.11 -0.91 1.81 1.08 -1.25 0.08 117.51 118.98 3hps h ILE 440 Ca -0.02 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3hps h ILE 440 Cb 0.37 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.31 3hps h ILE 440 CO 0.03 0.15 0.60 0.24 -0.69 0.00 0.00 178.15 178.47 3hps h MET 441 N 0.80 1.14 -0.00 2.37 2.86 -1.13 0.18 114.93 121.15 3hps h MET 441 Ca 0.24 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3hps h MET 441 Cb -0.03 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.38 3hps h MET 441 CO -0.08 0.75 -0.02 -0.22 1.06 0.00 0.00 176.91 178.40 3hps h LYS 442 N 1.17 0.02 -0.53 1.72 1.63 -1.16 -2.04 116.57 117.38 3hps h LYS 442 Ca 0.36 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.02 3hps h LYS 442 Cb -0.03 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3hps h LYS 442 CO -0.10 0.70 -0.13 1.15 -3.45 0.00 0.00 179.45 177.62 3hps h THR 443 N -0.67 1.27 0.00 1.00 2.02 -0.77 -1.24 112.91 114.52 3hps h THR 443 Ca -0.00 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.78 3hps h THR 443 Cb 0.71 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3hps h THR 443 CO 0.00 0.45 -1.72 0.47 0.37 0.00 0.00 175.52 175.10 3hps n ASP 444 N -4.15 0.39 0.00 4.18 9.92 0.62 -4.64 116.55 122.87 3hps n ASP 444 Ca 0.01 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 3hps n ASP 444 Cb 0.41 1.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.92 3hps n ASP 444 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3hps n HIS 445 N -2.60 0.00 -1.23 1.24 8.25 -0.82 -5.04 115.22 115.03 3hps n HIS 445 Ca -0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 3hps n HIS 445 Cb 0.74 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.82 3hps n HIS 445 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hps n GLY 446 N 0.04 1.00 3.46 -1.41 0.00 -0.47 -4.94 105.19 102.87 3hps n GLY 446 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3hps n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hps s LEU 447 N -1.82 3.27 -0.60 0.99 1.43 -1.08 -4.72 118.68 116.13 3hps s LEU 447 Ca 0.00 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 3hps s LEU 447 Cb 0.00 -1.82 0.11 0.00 0.03 0.00 0.00 46.19 44.52 3hps s LEU 447 CO 0.00 0.09 0.69 -0.44 0.23 0.00 0.00 176.35 176.92 3hps s SER 448 N 0.85 6.22 -0.01 2.29 0.01 -1.26 -2.51 113.70 119.28 3hps s SER 448 Ca 0.00 -1.57 -0.30 0.00 1.31 0.00 0.00 55.95 55.39 3hps s SER 448 Cb -0.14 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3hps s SER 448 CO 0.02 -1.05 1.14 -0.76 0.41 0.00 0.00 173.24 173.00 3hps s LEU 449 N 2.40 4.32 0.46 2.44 1.43 -1.26 -5.00 118.68 123.47 3hps s LEU 449 Ca 0.11 1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.80 3hps s LEU 449 Cb -0.24 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 3hps s LEU 449 CO 0.04 -0.47 1.02 -2.65 0.23 0.00 0.00 176.35 174.52 3hps n PRO 450 N 4.52 1.30 -0.34 1.29 -0.02 -1.26 -4.73 135.00 135.75 3hps n PRO 450 Ca 0.09 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 3hps n PRO 450 Cb 0.47 -2.10 0.28 0.00 -0.02 0.00 0.00 33.50 32.13 3hps n PRO 450 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hps h ARG 451 N 1.34 0.88 0.00 -0.52 -0.00 -2.00 -0.10 114.38 113.99 3hps h ARG 451 Ca -0.46 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.98 59.38 3hps h ARG 451 Cb 1.34 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 3hps h ARG 451 CO 0.56 0.59 -0.41 0.00 -0.00 0.00 0.00 179.97 180.70 3hps h ARG 452 N 0.91 0.00 -0.34 0.08 3.08 -2.00 -1.75 114.38 114.36 3hps h ARG 452 Ca 0.50 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.43 3hps h ARG 452 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3hps h ARG 452 CO -0.27 0.41 -0.23 1.25 -1.07 0.00 0.00 179.97 180.06 3hps h LEU 453 N 0.00 0.79 -0.62 3.04 6.46 -1.41 -2.08 115.31 121.49 3hps h LEU 453 Ca -0.00 -0.44 0.08 0.00 -0.12 0.00 0.00 57.88 57.40 3hps h LEU 453 Cb 0.82 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.46 3hps h LEU 453 CO 0.05 1.05 0.29 1.56 -0.62 0.00 0.00 178.44 180.77 3hps h GLN 454 N 0.52 0.50 -0.23 1.25 4.20 -0.70 0.13 115.11 120.78 3hps h GLN 454 Ca 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3hps h GLN 454 Cb 0.79 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3hps h GLN 454 CO 0.06 0.33 0.09 0.82 -0.67 0.00 0.00 178.83 179.47 3hps h ILE 455 N 0.52 1.17 -0.50 2.54 2.04 -1.33 -0.50 117.51 121.45 3hps h ILE 455 Ca 0.30 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3hps h ILE 455 Cb 0.30 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3hps h ILE 455 CO -0.25 0.17 0.22 -0.08 0.00 0.00 0.00 178.15 178.21 3hps h GLU 456 N 0.22 0.72 -0.51 2.37 4.81 -0.90 -2.39 114.58 118.89 3hps h GLU 456 Ca 0.08 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3hps h GLU 456 Cb 0.18 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3hps h GLU 456 CO -0.01 0.62 -0.14 0.35 -0.73 0.00 0.00 179.01 179.10 3hps h PHE 457 N 0.66 1.13 -0.38 0.92 3.57 -0.64 -2.42 116.94 119.78 3hps h PHE 457 Ca 0.17 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3hps h PHE 457 Cb 0.15 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3hps h PHE 457 CO -0.00 1.07 0.24 0.77 -2.23 0.00 0.00 178.31 178.16 3hps h SER 458 N 0.87 0.44 -0.57 0.41 0.02 -0.97 -0.42 113.55 113.32 3hps h SER 458 Ca 0.13 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 3hps h SER 458 Cb 0.72 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3hps h SER 458 CO 0.05 0.32 -0.06 -0.61 -1.14 0.00 0.00 176.83 175.40 3hps h GLN 459 N 0.51 1.05 0.17 3.45 5.75 -1.11 0.77 115.11 125.69 3hps h GLN 459 Ca 0.14 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3hps h GLN 459 Cb -0.05 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 3hps h GLN 459 CO -0.03 1.06 -0.15 0.28 -2.65 0.00 0.00 178.83 177.34 3hps h VAL 460 N 0.95 0.67 -0.93 2.39 2.07 -0.91 -1.45 116.25 119.04 3hps h VAL 460 Ca 0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 3hps h VAL 460 Cb 0.62 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 3hps h VAL 460 CO 0.04 0.00 0.57 0.40 0.02 0.00 0.00 177.57 178.60 3hps h ILE 461 N -0.33 0.93 -0.43 4.57 1.08 -0.92 -2.45 117.51 119.96 3hps h ILE 461 Ca -0.00 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 3hps h ILE 461 Cb 0.31 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 3hps h ILE 461 CO -0.03 0.17 0.26 -0.61 -0.69 0.00 0.00 178.15 177.26 3hps h GLN 462 N 0.93 0.57 0.00 2.37 -0.00 -0.59 -3.51 115.11 114.88 3hps h GLN 462 Ca 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 3hps h GLN 462 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.76 3hps h GLN 462 CO -0.25 0.41 0.00 1.63 0.00 0.00 0.00 178.83 180.62 3hps n LYS 463 N -4.76 0.00 0.00 1.69 5.02 -0.57 -5.09 118.16 114.45 3hps n LYS 463 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3hps n LYS 463 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 3hps n LYS 463 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3hps n VAL 475 N 0.00 0.00 -2.35 -0.18 3.14 -0.91 -4.72 118.33 113.31 3hps n VAL 475 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 3hps n VAL 475 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3hps n VAL 475 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3hps s SER 476 N 0.00 6.44 0.26 6.55 1.04 -1.26 0.11 113.70 126.84 3hps s SER 476 Ca 0.00 1.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 3hps s SER 476 Cb 0.00 -2.43 0.55 0.00 0.10 0.00 0.00 66.02 64.24 3hps s SER 476 CO 0.00 -0.64 1.68 -0.65 0.98 0.00 0.00 173.24 174.61 3hps h PRO 477 N 0.52 0.27 -0.55 4.02 0.11 -1.93 -1.28 132.00 133.16 3hps h PRO 477 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3hps h PRO 477 Cb 1.19 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3hps h PRO 477 CO 0.62 0.18 0.28 0.87 -0.21 0.00 0.00 178.00 179.74 3hps h LYS 478 N 0.28 0.78 -0.62 1.05 6.56 -1.98 -0.77 116.57 121.87 3hps h LYS 478 Ca 0.46 -0.10 -0.03 0.00 -1.06 0.00 0.00 60.65 59.93 3hps h LYS 478 Cb 0.84 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 32.32 3hps h LYS 478 CO -0.55 0.62 0.28 0.93 -2.06 0.00 0.00 179.45 178.68 3hps h GLU 479 N 0.74 0.90 -0.04 3.15 5.08 -1.68 -0.11 114.58 122.61 3hps h GLU 479 Ca 0.19 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hps h GLU 479 Cb 0.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hps h GLU 479 CO -0.03 0.73 0.02 1.98 -1.00 0.00 0.00 179.01 180.72 3hps h MET 480 N 0.85 0.06 -0.29 2.33 4.05 -1.12 -0.64 114.93 120.18 3hps h MET 480 Ca 0.21 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.63 3hps h MET 480 Cb 0.14 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3hps h MET 480 CO -0.02 0.17 0.18 2.35 0.23 0.00 0.00 176.91 179.82 3hps h TRP 481 N -0.06 0.35 -0.97 1.39 2.91 -0.92 0.22 115.95 118.87 3hps h TRP 481 Ca 0.01 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.06 3hps h TRP 481 Cb 0.13 -0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 28.61 3hps h TRP 481 CO -0.03 0.21 0.64 -0.44 -1.03 0.00 0.00 178.44 177.80 3hps h ASP 482 N 0.37 1.11 -0.63 2.65 3.32 -0.92 0.74 116.42 123.07 3hps h ASP 482 Ca 0.11 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3hps h ASP 482 Cb -0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3hps h ASP 482 CO -0.03 0.80 0.07 0.00 -1.72 0.00 0.00 179.24 178.36 3hps h ALA 483 N 1.36 0.84 -0.09 3.45 0.00 -0.80 -1.51 119.26 122.52 3hps h ALA 483 Ca 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hps h ALA 483 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3hps h ALA 483 CO -0.08 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.19 3hps h PHE 484 N 0.97 0.12 -0.52 0.00 3.57 -0.34 -2.14 116.94 118.61 3hps h PHE 484 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3hps h PHE 484 Cb 0.48 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3hps h PHE 484 CO 0.04 0.19 0.25 0.00 -2.23 0.00 0.00 178.31 176.56 3hps h ALA 485 N 0.92 0.66 -0.52 2.41 0.00 -0.84 -0.85 119.26 121.05 3hps h ALA 485 Ca 0.03 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hps h ALA 485 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3hps h ALA 485 CO -0.00 0.23 0.35 1.05 0.00 0.00 0.00 179.25 180.87 3hps h GLU 486 N 0.69 0.50 0.00 0.00 -0.00 -1.17 0.10 114.58 114.70 3hps h GLU 486 Ca 0.18 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.51 3hps h GLU 486 Cb 0.12 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 3hps h GLU 486 CO -0.02 0.33 -0.00 0.93 -0.00 0.00 0.00 179.01 180.25 3hps h GLU 487 N 0.52 -0.00 0.00 1.06 4.39 -1.03 -3.38 114.58 116.13 3hps h GLU 487 Ca 0.22 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.73 3hps h GLU 487 Cb 0.22 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3hps h GLU 487 CO -0.06 0.96 -1.86 0.66 -1.16 0.00 0.00 179.01 177.55 3hps n TYR 488 N -4.62 0.00 -0.08 4.33 4.02 -0.36 -4.53 117.16 115.93 3hps n TYR 488 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 3hps n TYR 488 Cb 0.46 -0.59 -0.08 0.00 -0.02 0.00 0.00 39.34 39.12 3hps n TYR 488 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hps n LEU 489 N -2.38 2.91 0.09 7.72 4.77 -0.53 -4.49 117.00 125.08 3hps n LEU 489 Ca -0.17 -0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.56 3hps n LEU 489 Cb 0.81 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 3hps n LEU 489 CO 0.29 0.76 0.01 0.00 -1.33 0.00 0.00 177.39 177.12 3hps h ALA 490 N -0.03 0.14 -2.65 -1.18 0.00 -1.08 -3.48 119.26 110.99 3hps h ALA 490 Ca -0.37 -0.81 -0.56 0.00 0.00 0.00 0.00 54.91 53.18 3hps h ALA 490 Cb 1.56 0.03 0.10 0.00 0.00 0.00 0.00 17.79 19.49 3hps h ALA 490 CO -0.07 0.85 0.66 -2.30 0.00 0.00 0.00 179.25 178.39 3hps n PRO 491 N -3.66 2.37 0.00 0.00 -0.02 -1.26 -4.89 135.00 127.53 3hps n PRO 491 Ca -0.10 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hps n PRO 491 Cb 0.96 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3hps n PRO 491 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hps n VAL 492 N 0.91 0.29 -4.09 -1.45 0.31 -1.26 -4.94 118.33 108.10 3hps n VAL 492 Ca 0.05 -0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 63.79 3hps n VAL 492 Cb 0.36 1.06 -0.13 0.00 -0.91 0.00 0.00 33.84 34.22 3hps n VAL 492 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hps s ARG 493 N -0.29 0.46 0.07 5.55 3.00 -1.26 -3.42 118.95 123.06 3hps s ARG 493 Ca 0.00 -0.50 0.20 0.00 0.00 0.00 0.00 55.73 55.43 3hps s ARG 493 Cb 0.00 -0.31 0.81 0.00 0.00 0.00 0.00 34.95 35.45 3hps s ARG 493 CO 0.00 0.07 1.62 -0.35 0.00 0.00 0.00 175.30 176.64 3hps n PRO 494 N 2.12 0.06 -4.75 3.54 -0.04 -1.26 -4.81 135.00 129.87 3hps n PRO 494 Ca -0.18 0.25 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 3hps n PRO 494 Cb 0.56 -1.61 -0.17 0.00 -0.04 0.00 0.00 33.50 32.25 3hps n PRO 494 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hps s LEU 495 N -3.45 2.00 -0.03 1.53 0.20 -1.25 0.61 118.68 118.30 3hps s LEU 495 Ca 0.08 -0.54 0.06 0.00 0.69 0.00 0.00 54.13 54.41 3hps s LEU 495 Cb 0.11 -1.34 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 3hps s LEU 495 CO 0.36 0.08 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.61 3hps s GLU 496 N 0.74 1.74 -0.31 1.98 2.12 0.19 -4.50 118.70 120.65 3hps s GLU 496 Ca -0.10 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.46 3hps s GLU 496 Cb -0.16 -1.60 0.01 0.00 0.26 0.00 0.00 34.13 32.64 3hps s GLU 496 CO 0.01 0.37 0.10 0.50 -0.54 0.00 0.00 175.26 175.69 3hps s ARG 497 N -0.28 3.04 -0.14 4.30 3.52 -1.26 -0.37 118.95 127.75 3hps s ARG 497 Ca 0.03 -0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 54.58 3hps s ARG 497 Cb -0.09 -3.43 -0.12 0.00 -1.56 0.00 0.00 34.95 29.75 3hps s ARG 497 CO 0.01 -0.49 0.24 0.82 -0.81 0.00 0.00 175.30 175.07 3hps h ILE 498 N 5.88 0.74 -2.82 4.11 1.08 -1.19 -3.49 117.51 121.82 3hps h ILE 498 Ca -0.30 -1.65 0.07 0.00 -0.39 0.00 0.00 64.86 62.59 3hps h ILE 498 Cb 1.12 1.49 -0.08 0.00 -3.07 0.00 0.00 36.82 36.28 3hps h ILE 498 CO 0.61 0.25 0.29 0.00 -0.69 0.00 0.00 178.15 178.61 3hps s ARG 499 N -2.05 1.45 0.08 2.37 1.70 -1.18 -5.02 118.95 116.30 3hps s ARG 499 Ca -0.15 -0.72 -0.17 0.00 -0.47 0.00 0.00 55.73 54.22 3hps s ARG 499 Cb 0.01 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.97 3hps s ARG 499 CO 0.37 -0.66 0.41 1.14 -1.08 0.00 0.00 175.30 175.49 3hps s GLN 500 N -3.68 0.99 -0.30 3.89 0.00 -1.26 -0.68 119.66 118.63 3hps s GLN 500 Ca 0.08 -0.51 -0.05 0.00 -0.00 0.00 0.00 55.36 54.88 3hps s GLN 500 Cb -0.03 0.44 0.02 0.00 0.00 0.00 0.00 33.01 33.44 3hps s GLN 500 CO -0.01 -0.36 0.05 -1.58 0.00 0.00 0.00 175.29 173.39 3hps s HIS 501 N -3.06 3.16 -0.35 9.60 2.46 0.91 -5.00 115.29 123.02 3hps s HIS 501 Ca -0.02 -1.26 -0.13 0.00 0.47 0.00 0.00 55.06 54.12 3hps s HIS 501 Cb 0.00 -2.21 -0.01 0.00 -0.13 0.00 0.00 32.58 30.24 3hps s HIS 501 CO -0.07 -0.66 0.25 0.08 -2.47 0.00 0.00 174.74 171.88 3hps s VAL 502 N 1.42 5.28 -0.67 0.89 1.01 -1.26 -2.05 120.40 125.02 3hps s VAL 502 Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 3hps s VAL 502 Cb -0.18 -3.76 0.17 0.00 0.00 0.00 0.00 36.38 32.61 3hps s VAL 502 CO 0.01 -0.07 0.58 -0.62 0.00 0.00 0.00 175.10 175.00 3hps s ASP 503 N 1.71 6.21 -0.20 3.32 2.15 0.83 -4.98 116.67 125.72 3hps s ASP 503 Ca 0.06 -2.37 -0.16 0.00 0.43 0.00 0.00 52.55 50.51 3hps s ASP 503 Cb -0.18 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.28 3hps s ASP 503 CO 0.10 -0.63 0.40 0.00 -0.17 0.00 0.00 175.17 174.88 3hps s ALA 504 N 0.68 3.55 0.51 3.66 0.00 -1.26 -0.40 121.76 128.50 3hps s ALA 504 Ca 0.12 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.34 3hps s ALA 504 Cb -0.19 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 3hps s ALA 504 CO -0.04 -0.29 1.28 0.00 0.00 0.00 0.00 175.76 176.72 3hps n ALA 505 N 4.44 1.34 0.11 0.00 0.00 -0.40 -4.91 120.51 121.09 3hps n ALA 505 Ca -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 3hps n ALA 505 Cb 0.51 -2.30 0.06 0.00 0.00 0.00 0.00 19.45 17.72 3hps n ALA 505 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hps h ASP 506 N 1.57 0.02 -3.07 0.00 5.19 -1.97 -3.46 116.42 114.70 3hps h ASP 506 Ca -0.50 -0.02 -0.60 0.00 -0.62 0.00 0.00 57.03 55.30 3hps h ASP 506 Cb 1.31 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.76 3hps h ASP 506 CO 0.57 0.78 -0.24 -1.81 -3.12 0.00 0.00 179.24 175.42 3hps s ASP 507 N -6.81 6.68 0.24 6.45 1.11 -1.26 -5.03 116.67 118.05 3hps s ASP 507 Ca -0.01 0.83 -0.31 0.00 0.18 0.00 0.00 52.55 53.24 3hps s ASP 507 Cb 0.12 -2.20 -0.14 0.00 1.07 0.00 0.00 42.92 41.77 3hps s ASP 507 CO 0.79 0.22 1.35 0.47 1.18 0.00 0.00 175.17 179.18 3hps n ASP 508 N 1.18 2.49 0.00 0.27 8.00 -1.26 -1.28 116.55 125.95 3hps n ASP 508 Ca -0.10 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.55 3hps n ASP 508 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3hps n ASP 508 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hps n GLY 509 N 2.03 1.13 3.89 0.44 0.00 -1.26 -5.04 105.19 106.37 3hps n GLY 509 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3hps n GLY 509 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hps s GLY 510 N -1.76 1.68 0.29 -0.02 0.00 -0.40 -5.05 107.32 102.05 3hps s GLY 510 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.57 3hps s GLY 510 CO 0.00 -0.26 0.89 -1.59 0.00 0.00 0.00 173.10 172.14 3hps s THR 511 N -3.66 4.29 -0.09 0.90 2.01 -1.26 -4.78 115.64 113.04 3hps s THR 511 Ca 0.68 1.70 -0.01 0.00 0.31 0.00 0.00 61.69 64.37 3hps s THR 511 Cb -0.08 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 3hps s THR 511 CO 0.52 0.18 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.70 3hps s THR 512 N -1.57 4.02 0.17 -0.82 2.01 0.28 -1.27 115.64 118.46 3hps s THR 512 Ca 0.48 -0.35 0.10 0.00 0.31 0.00 0.00 61.69 62.22 3hps s THR 512 Cb -0.18 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3hps s THR 512 CO 0.23 0.58 -0.20 -0.44 -0.69 0.00 0.00 174.62 174.10 3hps s SER 513 N -0.61 2.95 -0.04 3.53 0.01 0.47 -1.13 113.70 118.88 3hps s SER 513 Ca 0.10 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.47 3hps s SER 513 Cb -0.12 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 65.94 3hps s SER 513 CO 0.02 0.02 0.09 -0.51 0.41 0.00 0.00 173.24 173.27 3hps s ILE 514 N -1.89 -0.02 -0.11 1.44 -1.16 -0.31 -0.12 121.20 119.03 3hps s ILE 514 Ca 0.17 0.08 0.03 0.00 -0.51 0.00 0.00 60.65 60.42 3hps s ILE 514 Cb -0.07 -0.14 -0.00 0.00 0.61 0.00 0.00 42.46 42.86 3hps s ILE 514 CO 0.08 0.03 -0.21 -0.89 -2.81 0.00 0.00 174.94 171.14 3hps s THR 515 N 0.48 2.31 -0.01 4.00 2.01 -0.87 -1.82 115.64 121.74 3hps s THR 515 Ca -0.04 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.09 3hps s THR 515 Cb -0.05 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 3hps s THR 515 CO -0.02 0.55 -0.17 0.00 -0.69 0.00 0.00 174.62 174.29 3hps s ALA 516 N 0.38 1.44 -0.30 7.40 0.00 -0.08 -0.06 121.76 130.54 3hps s ALA 516 Ca -0.16 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 3hps s ALA 516 Cb -0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3hps s ALA 516 CO 0.07 0.35 0.53 0.99 0.00 0.00 0.00 175.76 177.70 3hps s THR 517 N -0.44 5.03 0.14 0.00 2.01 0.15 -1.54 115.64 120.99 3hps s THR 517 Ca 0.07 0.67 0.05 0.00 0.31 0.00 0.00 61.69 62.78 3hps s THR 517 Cb -0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3hps s THR 517 CO -0.00 -0.06 -0.11 0.68 -0.69 0.00 0.00 174.62 174.43 3hps s VAL 518 N 2.39 1.22 -0.21 3.82 -7.23 -0.17 -0.55 120.40 119.68 3hps s VAL 518 Ca 0.21 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 3hps s VAL 518 Cb -0.15 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 3hps s VAL 518 CO 0.11 -0.63 0.02 -1.59 -0.31 0.00 0.00 175.10 172.70 3hps s LYS 519 N -3.34 3.66 -0.36 4.82 -2.85 0.50 0.08 119.74 122.25 3hps s LYS 519 Ca 0.14 -0.50 -0.10 0.00 -1.00 0.00 0.00 55.97 54.51 3hps s LYS 519 Cb -0.00 -3.14 0.02 0.00 -2.06 0.00 0.00 37.83 32.65 3hps s LYS 519 CO 0.02 -0.00 0.18 0.42 0.10 0.00 0.00 175.35 176.06 3hps s ILE 520 N 1.06 4.45 -1.47 3.79 1.01 0.24 -0.64 121.20 129.64 3hps s ILE 520 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 3hps s ILE 520 Cb -0.14 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.88 3hps s ILE 520 CO 0.02 -0.18 0.28 0.59 0.00 0.00 0.00 174.94 175.66 3hps n ASN 521 N 4.97 0.06 0.00 3.58 3.02 0.20 -1.02 115.26 126.07 3hps n ASN 521 Ca -0.12 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3hps n ASN 521 Cb 0.46 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 3hps n ASN 521 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hps n GLY 522 N -2.17 2.73 3.58 7.41 0.00 -1.26 -5.00 105.19 110.47 3hps n GLY 522 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3hps n GLY 522 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hps s VAL 523 N -2.12 4.94 0.22 1.61 0.11 -0.19 -4.95 120.40 120.02 3hps s VAL 523 Ca 0.00 0.62 -0.31 0.00 -2.93 0.00 0.00 61.98 59.36 3hps s VAL 523 Cb 0.00 -4.01 -0.11 0.00 -1.53 0.00 0.00 36.38 30.73 3hps s VAL 523 CO 0.00 -0.22 1.60 -0.70 -3.33 0.00 0.00 175.10 172.45 3hps s GLU 524 N 2.58 4.17 0.32 1.54 2.12 -1.26 -0.60 118.70 127.58 3hps s GLU 524 Ca 0.23 2.47 -0.09 0.00 0.36 0.00 0.00 54.97 57.94 3hps s GLU 524 Cb -0.15 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.16 3hps s GLU 524 CO 0.13 -0.63 0.55 -0.08 -0.54 0.00 0.00 175.26 174.69 3hps s THR 525 N 0.76 0.00 -0.12 -1.70 -1.32 0.11 -4.93 115.64 108.44 3hps s THR 525 Ca 0.69 -1.40 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 3hps s THR 525 Cb -0.46 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.01 3hps s THR 525 CO 0.36 0.00 -0.16 -0.70 -2.21 0.00 0.00 174.62 171.91 3hps s GLU 526 N -3.23 2.36 0.18 7.08 2.56 -1.26 -1.00 118.70 125.40 3hps s GLU 526 Ca 0.24 -0.61 0.11 0.00 0.00 0.00 0.00 54.97 54.72 3hps s GLU 526 Cb -0.02 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 34.07 3hps s GLU 526 CO 0.14 -0.08 -0.24 0.96 -0.56 0.00 0.00 175.26 175.49 3hps s ILE 527 N 1.02 2.37 -0.02 -3.70 -4.36 -0.59 -4.98 121.20 110.94 3hps s ILE 527 Ca -0.05 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 3hps s ILE 527 Cb -0.15 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3hps s ILE 527 CO -0.03 -0.08 0.07 -0.94 0.24 0.00 0.00 174.94 174.21 3hps s SER 528 N -2.57 -0.01 0.26 4.36 1.04 -1.26 -0.90 113.70 114.61 3hps s SER 528 Ca 0.20 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 3hps s SER 528 Cb -0.08 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.23 3hps s SER 528 CO 0.09 -0.14 0.69 -0.83 0.98 0.00 0.00 173.24 174.03 3hps s GLY 529 N -0.47 -0.17 0.10 7.32 0.00 -0.75 -4.05 107.32 109.29 3hps s GLY 529 Ca -0.05 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.53 3hps s GLY 529 CO 0.00 -0.06 -0.10 -0.56 0.00 0.00 0.00 173.10 172.37 3hps s SER 530 N -2.89 1.49 0.04 1.64 0.01 -1.26 -1.17 113.70 111.57 3hps s SER 530 Ca 0.09 -0.80 -0.07 0.00 1.31 0.00 0.00 55.95 56.48 3hps s SER 530 Cb -0.05 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.21 3hps s SER 530 CO 0.03 -0.25 0.33 0.61 0.41 0.00 0.00 173.24 174.37 3hps n GLY 531 N 0.59 0.97 0.00 3.44 0.00 -0.28 -4.25 105.19 105.66 3hps n GLY 531 Ca -0.16 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.01 3hps n GLY 531 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hps n ASN 532 N -0.72 0.00 -2.40 1.61 0.23 -1.26 -0.55 115.26 112.17 3hps n ASN 532 Ca -0.00 0.11 -0.07 0.00 -0.53 0.00 0.00 54.58 54.09 3hps n ASN 532 Cb 0.18 -0.36 0.02 0.00 -2.08 0.00 0.00 39.78 37.54 3hps n ASN 532 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hps n GLY 533 N 0.94 1.21 0.29 4.83 0.00 -1.26 -4.62 105.19 106.59 3hps n GLY 533 Ca 0.10 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 3hps n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hps h PRO 534 N 0.00 0.72 -0.04 1.61 0.13 -1.89 -1.41 132.00 131.13 3hps h PRO 534 Ca -0.26 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3hps h PRO 534 Cb 0.97 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hps h PRO 534 CO 0.33 0.66 -0.03 1.25 -0.23 0.00 0.00 178.00 179.98 3hps h LEU 535 N 0.70 0.09 -0.70 1.56 6.46 -1.96 -1.43 115.31 120.04 3hps h LEU 535 Ca 0.16 -0.47 0.08 0.00 -0.12 0.00 0.00 57.88 57.53 3hps h LEU 535 Cb 0.27 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.11 3hps h LEU 535 CO -0.00 0.54 0.36 0.00 -0.62 0.00 0.00 178.44 178.72 3hps h ALA 536 N 0.55 0.95 -0.37 1.25 0.00 -1.91 -0.20 119.26 119.52 3hps h ALA 536 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hps h ALA 536 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hps h ALA 536 CO 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 179.25 179.36 3hps h ALA 537 N 1.40 0.49 -0.43 0.00 0.00 -1.17 -0.70 119.26 118.85 3hps h ALA 537 Ca 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hps h ALA 537 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hps h ALA 537 CO -0.24 0.13 0.10 0.35 0.00 0.00 0.00 179.25 179.60 3hps h PHE 538 N 0.46 0.72 -0.72 0.00 3.57 -0.91 -0.09 116.94 119.97 3hps h PHE 538 Ca 0.12 -0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3hps h PHE 538 Cb 0.26 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 3hps h PHE 538 CO 0.01 0.68 0.37 0.28 -2.23 0.00 0.00 178.31 177.42 3hps h VAL 539 N 0.56 0.87 -0.12 1.41 2.07 -0.81 -0.77 116.25 119.46 3hps h VAL 539 Ca 0.13 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 3hps h VAL 539 Cb 0.32 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3hps h VAL 539 CO 0.00 0.12 -0.54 0.45 0.02 0.00 0.00 177.57 177.62 3hps h HIS 540 N 0.64 0.44 -0.67 1.57 3.86 -0.74 -2.24 115.15 118.01 3hps h HIS 540 Ca 0.35 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3hps h HIS 540 Cb 0.34 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 3hps h HIS 540 CO -0.10 0.81 0.43 0.00 0.86 0.00 0.00 177.93 179.94 3hps h ALA 541 N 1.16 0.86 -0.28 2.45 0.00 -0.46 -3.12 119.26 119.86 3hps h ALA 541 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3hps h ALA 541 Cb 1.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3hps h ALA 541 CO 0.09 0.23 -0.24 -0.07 0.00 0.00 0.00 179.25 179.26 3hps h LEU 542 N 0.87 0.55 -1.47 0.00 3.38 -0.82 -2.91 115.31 114.91 3hps h LEU 542 Ca 0.26 -0.19 0.21 0.00 0.09 0.00 0.00 57.88 58.25 3hps h LEU 542 Cb -0.05 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3hps h LEU 542 CO -0.08 0.79 0.61 0.00 0.09 0.00 0.00 178.44 179.85 3hps h ALA 543 N 1.26 2.20 0.00 1.53 0.00 -1.02 -1.16 119.26 122.06 3hps h ALA 543 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hps h ALA 543 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hps h ALA 543 CO 0.05 -0.50 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 3hps n ASP 544 N -4.53 0.74 -0.76 0.00 8.00 -1.10 -2.56 116.55 116.34 3hps n ASP 544 Ca 0.20 0.66 0.04 0.00 0.71 0.00 0.00 54.79 56.41 3hps n ASP 544 Cb 0.73 -0.82 0.21 0.00 -0.02 0.00 0.00 41.12 41.21 3hps n ASP 544 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hps n VAL 545 N -2.29 2.28 -0.85 2.53 0.24 -0.48 -4.98 118.33 114.77 3hps n VAL 545 Ca 0.03 -2.45 0.00 0.00 -2.04 0.00 0.00 64.34 59.88 3hps n VAL 545 Cb 0.27 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3hps n VAL 545 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hps n GLY 546 N -1.01 0.49 3.23 7.63 0.00 -1.06 -4.92 105.19 109.55 3hps n GLY 546 Ca 0.24 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3hps n GLY 546 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hps s PHE 547 N -2.00 3.35 -0.43 1.61 0.40 -0.92 -0.98 117.98 119.02 3hps s PHE 547 Ca 0.00 -1.72 -0.20 0.00 -0.60 0.00 0.00 56.93 54.41 3hps s PHE 547 Cb 0.00 -2.68 0.02 0.00 0.51 0.00 0.00 43.02 40.87 3hps s PHE 547 CO 0.00 -0.83 0.61 0.34 0.70 0.00 0.00 175.22 176.04 3hps s ASP 548 N 1.72 6.31 -0.42 1.36 2.15 0.35 -2.36 116.67 125.77 3hps s ASP 548 Ca 0.01 -0.37 -0.06 0.00 0.43 0.00 0.00 52.55 52.56 3hps s ASP 548 Cb -0.21 -2.30 0.11 0.00 -0.30 0.00 0.00 42.92 40.21 3hps s ASP 548 CO 0.01 -0.74 0.24 -0.69 -0.17 0.00 0.00 175.17 173.82 3hps s VAL 549 N 2.70 3.67 -0.51 1.11 1.01 -1.26 -0.94 120.40 126.18 3hps s VAL 549 Ca 0.21 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.13 3hps s VAL 549 Cb -0.15 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.86 3hps s VAL 549 CO 0.18 -0.66 0.67 0.00 0.00 0.00 0.00 175.10 175.29 3hps s ALA 550 N 1.25 3.35 -0.04 5.51 0.00 -0.36 -4.95 121.76 126.52 3hps s ALA 550 Ca 0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 3hps s ALA 550 Cb -0.24 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3hps s ALA 550 CO -0.02 -2.05 1.30 0.08 0.00 0.00 0.00 175.76 175.06 3hps s VAL 551 N 2.83 4.02 -0.21 0.00 1.01 -1.26 -0.49 120.40 126.30 3hps s VAL 551 Ca 0.18 1.36 0.13 0.00 0.00 0.00 0.00 61.98 63.65 3hps s VAL 551 Cb -0.18 -3.87 -0.22 0.00 0.00 0.00 0.00 36.38 32.11 3hps s VAL 551 CO 0.13 -0.01 -0.01 0.18 0.00 0.00 0.00 175.10 175.39 3hps n LEU 552 N 5.43 0.79 -3.66 3.92 4.77 0.13 -4.94 117.00 123.44 3hps n LEU 552 Ca 0.12 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 3hps n LEU 552 Cb 0.45 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3hps n LEU 552 CO 0.57 0.60 0.54 -0.62 -1.33 0.00 0.00 177.39 177.15 3hps s ASP 553 N -5.68 -0.34 -0.27 -1.43 -1.08 -1.02 -4.97 116.67 101.87 3hps s ASP 553 Ca -0.16 -0.30 -0.22 0.00 -0.52 0.00 0.00 52.55 51.35 3hps s ASP 553 Cb 0.07 0.58 0.07 0.00 -1.46 0.00 0.00 42.92 42.18 3hps s ASP 553 CO 0.74 -1.03 0.71 -0.47 0.52 0.00 0.00 175.17 175.64 3hps s TYR 554 N -3.60 -0.88 0.02 -5.34 5.04 -1.26 -1.10 117.35 110.23 3hps s TYR 554 Ca 0.08 1.99 -0.02 0.00 -2.44 0.00 0.00 57.07 56.68 3hps s TYR 554 Cb -0.03 0.39 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 3hps s TYR 554 CO -0.02 -0.43 0.02 0.71 -1.34 0.00 0.00 175.55 174.49 3hps s TYR 555 N 0.80 0.22 -0.08 4.97 1.51 -0.28 -5.00 117.35 119.49 3hps s TYR 555 Ca -0.03 -0.47 -0.17 0.00 -1.01 0.00 0.00 57.07 55.39 3hps s TYR 555 Cb -0.05 -0.17 0.04 0.00 -0.11 0.00 0.00 41.96 41.67 3hps s TYR 555 CO -0.06 -0.24 0.40 -2.00 -1.11 0.00 0.00 175.55 172.54 3hps s GLU 556 N -1.72 0.64 0.08 -0.62 2.12 -1.26 -0.56 118.70 117.38 3hps s GLU 556 Ca -0.13 0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.27 3hps s GLU 556 Cb -0.07 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.63 3hps s GLU 556 CO -0.01 -0.15 0.28 -3.38 -0.54 0.00 0.00 175.26 171.46 3hps s HIS 557 N -0.65 -0.03 0.45 5.30 -3.43 -0.33 -4.99 115.29 111.61 3hps s HIS 557 Ca -0.07 -0.28 -0.23 0.00 -0.80 0.00 0.00 55.06 53.68 3hps s HIS 557 Cb -0.04 0.07 -0.08 0.00 -1.43 0.00 0.00 32.58 31.11 3hps s HIS 557 CO 0.03 -0.57 1.13 0.00 -2.00 0.00 0.00 174.74 173.33 3hps s ALA 558 N -3.39 2.98 -2.60 -1.38 0.00 -1.26 -0.97 121.76 115.14 3hps s ALA 558 Ca 0.01 0.85 0.24 0.00 0.00 0.00 0.00 51.96 53.06 3hps s ALA 558 Cb 0.02 -3.35 0.30 0.00 0.00 0.00 0.00 23.12 20.10 3hps s ALA 558 CO -0.09 -0.53 1.31 -1.33 0.00 0.00 0.00 175.76 175.12 3hps n MET 559 N -0.46 1.85 -2.81 0.00 2.81 0.27 -4.88 117.12 113.91 3hps n MET 559 Ca 0.07 -1.46 -0.04 0.00 -1.81 0.00 0.00 57.70 54.46 3hps n MET 559 Cb 0.49 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.55 3hps n MET 559 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hps n SER 560 N 0.70 -1.33 -4.61 7.83 3.41 -1.26 -4.95 113.62 113.41 3hps n SER 560 Ca 0.13 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.59 3hps n SER 560 Cb 0.51 2.20 0.13 0.00 -0.26 0.00 0.00 64.21 66.79 3hps n SER 560 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hps s ALA 561 N -1.67 2.51 0.00 7.33 0.00 -1.26 -4.82 121.76 123.85 3hps s ALA 561 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3hps s ALA 561 Cb -0.03 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3hps s ALA 561 CO 0.06 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.27 3hps n GLY 562 N -3.48 1.62 0.29 0.00 0.00 -1.26 -4.32 105.19 98.03 3hps n GLY 562 Ca 0.11 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.73 3hps n GLY 562 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hps h ASP 563 N 0.00 0.00 -0.53 1.61 2.03 -2.04 -2.22 116.42 115.28 3hps h ASP 563 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hps h ASP 563 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hps h ASP 563 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.31 3hps n ASP 564 N -3.05 2.93 -4.64 4.15 5.75 -1.26 -4.98 116.55 115.45 3hps n ASP 564 Ca -0.00 -1.99 -0.36 0.00 -0.01 0.00 0.00 54.79 52.43 3hps n ASP 564 Cb 0.25 -0.35 0.08 0.00 -1.03 0.00 0.00 41.12 40.07 3hps n ASP 564 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hps n ALA 565 N 1.11 0.09 -1.77 2.12 0.00 -0.84 -4.98 120.51 116.25 3hps n ALA 565 Ca 0.18 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 3hps n ALA 565 Cb 0.47 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3hps n ALA 565 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hps s GLN 566 N -3.33 3.75 -0.08 0.00 -1.52 -1.26 -4.73 119.66 112.49 3hps s GLN 566 Ca 0.76 2.00 0.01 0.00 -1.95 0.00 0.00 55.36 56.17 3hps s GLN 566 Cb -0.36 -2.53 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 3hps s GLN 566 CO 0.48 -0.62 -0.07 0.00 -0.25 0.00 0.00 175.29 174.82 3hps s ALA 567 N -1.38 2.96 -0.17 6.09 0.00 0.39 -0.56 121.76 129.08 3hps s ALA 567 Ca 0.62 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3hps s ALA 567 Cb -0.34 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 3hps s ALA 567 CO 0.43 0.53 -0.08 0.00 0.00 0.00 0.00 175.76 176.64 3hps s ALA 568 N -0.68 2.75 0.15 0.00 0.00 -0.15 -1.45 121.76 122.39 3hps s ALA 568 Ca 0.10 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.17 3hps s ALA 568 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3hps s ALA 568 CO 0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 175.76 175.51 3hps s ALA 569 N 0.82 2.54 -0.03 0.00 0.00 0.41 -1.19 121.76 124.32 3hps s ALA 569 Ca -0.03 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.46 3hps s ALA 569 Cb -0.15 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.53 3hps s ALA 569 CO 0.01 0.52 -0.01 0.71 0.00 0.00 0.00 175.76 176.99 3hps s TYR 570 N -1.29 0.38 -0.09 0.00 2.02 0.28 -1.18 117.35 117.47 3hps s TYR 570 Ca 0.18 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 3hps s TYR 570 Cb -0.10 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 3hps s TYR 570 CO 0.09 -0.11 -0.13 0.08 -1.57 0.00 0.00 175.55 173.90 3hps s VAL 571 N 0.79 1.30 -0.14 0.71 1.01 -0.42 -1.13 120.40 122.53 3hps s VAL 571 Ca -0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3hps s VAL 571 Cb -0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3hps s VAL 571 CO -0.01 0.40 0.21 -0.70 0.00 0.00 0.00 175.10 175.00 3hps s GLU 572 N 0.90 3.93 -0.11 2.72 2.12 -0.26 -0.19 118.70 127.81 3hps s GLU 572 Ca -0.09 -0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.03 3hps s GLU 572 Cb -0.15 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.96 3hps s GLU 572 CO 0.01 0.49 0.46 0.00 -0.54 0.00 0.00 175.26 175.68 3hps s ALA 573 N -0.24 -1.16 -0.41 6.30 0.00 -0.31 0.19 121.76 126.13 3hps s ALA 573 Ca 0.15 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.94 3hps s ALA 573 Cb -0.13 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3hps s ALA 573 CO 0.04 -0.26 0.66 0.45 0.00 0.00 0.00 175.76 176.64 3hps s SER 574 N -0.45 6.38 -0.15 0.00 0.15 0.36 -1.15 113.70 118.84 3hps s SER 574 Ca -0.06 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 3hps s SER 574 Cb -0.03 -2.33 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 3hps s SER 574 CO 0.03 -0.72 -0.08 -0.69 1.20 0.00 0.00 173.24 172.98 3hps s VAL 575 N 2.84 3.48 -0.14 4.45 1.01 -0.20 -1.23 120.40 130.61 3hps s VAL 575 Ca 0.24 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3hps s VAL 575 Cb -0.14 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 3hps s VAL 575 CO 0.18 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.72 3hps s THR 576 N 0.47 2.55 -0.13 3.92 2.01 -0.11 -1.78 115.64 122.57 3hps s THR 576 Ca -0.06 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 3hps s THR 576 Cb -0.15 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 3hps s THR 576 CO 0.04 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 3hps s ILE 577 N 0.65 3.27 0.78 1.82 1.01 -1.26 -0.50 121.20 126.97 3hps s ILE 577 Ca -0.09 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 3hps s ILE 577 Cb -0.16 -2.38 0.07 0.00 0.01 0.00 0.00 42.46 40.00 3hps s ILE 577 CO 0.02 0.53 1.18 0.00 0.00 0.00 0.00 174.94 176.67 3hps s ALA 578 N 0.23 1.96 -0.60 9.38 0.00 -0.15 -4.86 121.76 127.71 3hps s ALA 578 Ca -0.07 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3hps s ALA 578 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3hps s ALA 578 CO 0.05 -2.11 0.00 -1.13 0.00 0.00 0.00 175.76 172.57 3hps n SER 579 N -3.20 -3.22 -0.58 0.00 3.41 -1.26 -5.06 113.62 103.71 3hps n SER 579 Ca 0.13 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3hps n SER 579 Cb 0.51 -1.79 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 3hps n SER 579 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hps n THR 614 N -3.30 0.00 -4.04 6.66 -1.04 -1.26 -5.31 114.28 106.00 3hps n THR 614 Ca -0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.65 3hps n THR 614 Cb 0.34 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.80 3hps n THR 614 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hps s SER 615 N -3.99 5.66 -0.05 8.00 1.04 -1.26 -4.43 113.70 118.67 3hps s SER 615 Ca 0.00 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.46 3hps s SER 615 Cb 0.00 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.58 3hps s SER 615 CO 0.00 0.14 -0.11 -0.54 0.98 0.00 0.00 173.24 173.71 3hps s LYS 616 N -2.60 1.38 -0.16 4.02 1.02 -0.74 -4.91 119.74 117.74 3hps s LYS 616 Ca 0.31 -0.38 -0.25 0.00 0.02 0.00 0.00 55.97 55.67 3hps s LYS 616 Cb -0.12 -1.20 -0.02 0.00 -0.52 0.00 0.00 37.83 35.97 3hps s LYS 616 CO 0.23 0.09 0.80 0.99 -0.92 0.00 0.00 175.35 176.54 3hps s THR 617 N 0.41 4.91 0.14 2.17 2.01 -1.26 -1.03 115.64 122.98 3hps s THR 617 Ca -0.08 1.58 -0.06 0.00 0.31 0.00 0.00 61.69 63.44 3hps s THR 617 Cb -0.12 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 3hps s THR 617 CO 0.02 0.06 0.18 0.68 -0.69 0.00 0.00 174.62 174.87 3hps s VAL 618 N 2.00 0.09 0.12 3.82 -7.23 -0.30 -4.99 120.40 113.92 3hps s VAL 618 Ca 0.37 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 3hps s VAL 618 Cb -0.17 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3hps s VAL 618 CO 0.13 -0.41 0.08 0.26 -0.31 0.00 0.00 175.10 174.85 3hps s TRP 619 N -3.99 3.11 0.17 2.82 0.52 -1.26 -1.16 118.94 119.16 3hps s TRP 619 Ca 0.18 0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.39 3hps s TRP 619 Cb 0.05 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.78 3hps s TRP 619 CO -0.01 0.51 -0.17 0.20 0.02 0.00 0.00 176.95 177.51 3hps s GLY 620 N -2.71 1.39 -0.04 0.98 0.00 0.73 -4.31 107.32 103.36 3hps s GLY 620 Ca 0.29 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.52 3hps s GLY 620 CO 0.22 -1.59 -0.14 0.14 0.00 0.00 0.00 173.10 171.73 3hps s VAL 621 N -2.27 1.20 0.00 1.40 1.01 -1.26 -1.30 120.40 119.18 3hps s VAL 621 Ca 0.17 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3hps s VAL 621 Cb -0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3hps s VAL 621 CO 0.07 0.36 -0.09 -0.83 0.00 0.00 0.00 175.10 174.60 3hps s GLY 622 N 0.19 0.46 -0.07 4.51 0.00 -0.33 -4.22 107.32 107.85 3hps s GLY 622 Ca -0.05 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.25 3hps s GLY 622 CO 0.02 -0.39 -0.13 -0.42 0.00 0.00 0.00 173.10 172.19 3hps s ILE 623 N -0.34 1.20 0.15 0.90 1.01 -1.26 -0.45 121.20 122.41 3hps s ILE 623 Ca 0.02 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 3hps s ILE 623 Cb -0.04 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.40 3hps s ILE 623 CO -0.00 0.37 0.63 0.00 0.00 0.00 0.00 174.94 175.94 3hps s ALA 624 N 0.77 -1.61 -0.08 9.38 0.00 -0.53 -4.84 121.76 124.86 3hps s ALA 624 Ca -0.12 0.51 0.31 0.00 0.00 0.00 0.00 51.96 52.65 3hps s ALA 624 Cb -0.16 0.85 1.15 0.00 0.00 0.00 0.00 23.12 24.96 3hps s ALA 624 CO 0.02 -0.77 1.89 -1.00 0.00 0.00 0.00 175.76 175.90 3hps h PRO 625 N 2.00 0.00 -5.21 0.00 0.13 -1.86 0.11 132.00 127.17 3hps h PRO 625 Ca -0.32 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.20 3hps h PRO 625 Cb 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 3hps h PRO 625 CO 0.37 0.00 -0.48 0.45 -0.23 0.00 0.00 178.00 178.11 3hps s SER 626 N -5.54 6.19 0.32 1.44 0.15 -1.26 -4.67 113.70 110.31 3hps s SER 626 Ca 0.03 0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.97 3hps s SER 626 Cb 0.08 -2.10 0.87 0.00 -1.71 0.00 0.00 66.02 63.16 3hps s SER 626 CO 0.54 0.12 1.73 0.40 1.20 0.00 0.00 173.24 177.23 3hps h ILE 627 N 4.82 0.54 0.06 6.45 2.04 -1.92 -0.74 117.51 128.76 3hps h ILE 627 Ca -0.40 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3hps h ILE 627 Cb 1.16 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3hps h ILE 627 CO 0.72 0.10 -0.03 0.74 0.00 0.00 0.00 178.15 179.68 3hps h THR 628 N 0.57 1.23 -0.25 -0.27 2.02 -1.95 -3.12 112.91 111.14 3hps h THR 628 Ca 0.64 -1.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3hps h THR 628 Cb 1.20 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3hps h THR 628 CO -0.48 0.28 -0.09 0.74 0.37 0.00 0.00 175.52 176.35 3hps h THR 629 N -0.62 1.20 -0.96 3.16 2.02 -1.87 -2.51 112.91 113.33 3hps h THR 629 Ca -0.01 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.33 3hps h THR 629 Cb 0.53 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3hps h THR 629 CO 0.01 0.28 0.63 0.00 0.37 0.00 0.00 175.52 176.82 3hps h ALA 630 N 1.53 1.22 -0.55 6.16 0.00 -1.18 -0.08 119.26 126.37 3hps h ALA 630 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3hps h ALA 630 Cb 0.39 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hps h ALA 630 CO 0.02 0.60 -0.03 0.66 0.00 0.00 0.00 179.25 180.49 3hps h SER 631 N 1.29 0.98 -0.47 0.00 4.64 -1.39 -1.68 113.55 116.92 3hps h SER 631 Ca 0.36 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3hps h SER 631 Cb -0.13 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.67 3hps h SER 631 CO -0.08 1.07 0.30 -0.07 -0.87 0.00 0.00 176.83 177.18 3hps h LEU 632 N 0.87 0.55 -1.26 5.97 3.38 -1.16 -2.19 115.31 121.47 3hps h LEU 632 Ca 0.15 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3hps h LEU 632 Cb 0.58 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3hps h LEU 632 CO 0.03 0.42 0.53 0.03 0.09 0.00 0.00 178.44 179.54 3hps h ARG 633 N 0.64 0.87 -0.46 1.13 3.08 -0.83 -2.03 114.38 116.78 3hps h ARG 633 Ca 0.17 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 3hps h ARG 633 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3hps h ARG 633 CO -0.04 0.57 0.02 0.00 -1.07 0.00 0.00 179.97 179.46 3hps h ALA 634 N 1.56 1.17 -0.28 0.04 0.00 -0.92 -0.53 119.26 120.30 3hps h ALA 634 Ca 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hps h ALA 634 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hps h ALA 634 CO -0.12 0.54 0.04 0.28 0.00 0.00 0.00 179.25 179.98 3hps h VAL 635 N 0.70 1.24 -0.60 0.00 2.07 -0.79 -1.57 116.25 117.30 3hps h VAL 635 Ca 0.14 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3hps h VAL 635 Cb 0.41 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3hps h VAL 635 CO 0.01 0.27 0.35 0.58 0.02 0.00 0.00 177.57 178.81 3hps h VAL 636 N 0.29 1.05 -0.62 2.57 2.07 -1.09 -1.89 116.25 118.62 3hps h VAL 636 Ca 0.08 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3hps h VAL 636 Cb 0.36 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3hps h VAL 636 CO 0.01 0.13 0.39 -1.28 0.02 0.00 0.00 177.57 176.83 3hps h SER 637 N 0.69 0.63 -0.29 0.57 0.87 -0.96 -1.76 113.55 113.30 3hps h SER 637 Ca 0.25 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3hps h SER 637 Cb 0.05 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3hps h SER 637 CO -0.12 0.44 0.14 0.00 -0.53 0.00 0.00 176.83 176.77 3hps h ALA 638 N 1.27 0.37 -0.32 6.23 0.00 -0.83 0.64 119.26 126.62 3hps h ALA 638 Ca 0.25 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hps h ALA 638 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hps h ALA 638 CO -0.10 -0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.43 3hps h VAL 639 N 0.34 0.86 -0.13 0.00 2.07 -1.01 -0.56 116.25 117.82 3hps h VAL 639 Ca 0.10 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 3hps h VAL 639 Cb 0.11 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3hps h VAL 639 CO -0.01 0.03 -0.39 0.78 0.02 0.00 0.00 177.57 178.00 3hps h ASN 640 N 0.19 0.28 -0.60 0.57 2.35 -1.15 -2.20 115.58 115.02 3hps h ASN 640 Ca 0.15 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3hps h ASN 640 Cb 0.15 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3hps h ASN 640 CO -0.19 0.65 0.24 0.03 -1.65 0.00 0.00 177.43 176.51 3hps h ARG 641 N 0.23 0.94 0.00 0.81 2.47 -0.47 -2.96 114.38 115.41 3hps h ARG 641 Ca 0.02 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3hps h ARG 641 Cb 0.79 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3hps h ARG 641 CO 0.06 0.78 -0.07 0.00 0.56 0.00 0.00 179.97 181.30 3hps h ALA 642 N 1.34 1.15 -0.01 0.04 0.00 -0.46 -2.36 119.26 118.96 3hps h ALA 642 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hps h ALA 642 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hps h ALA 642 CO -0.02 0.09 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 3hps n ALA 643 N -2.19 2.94 1.90 0.00 0.00 -1.12 -4.96 120.51 117.08 3hps n ALA 643 Ca -0.01 -0.35 0.16 0.00 0.00 0.00 0.00 53.44 53.24 3hps n ALA 643 Cb 0.23 -1.22 0.87 0.00 0.00 0.00 0.00 19.45 19.33 3hps n ALA 643 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04