#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6x s LYS 9 N 0.00 4.28 0.41 3.23 -0.14 -1.26 -5.08 119.74 121.18 2a6x s LYS 9 Ca 0.00 0.89 0.07 0.00 -1.36 0.00 0.00 55.97 55.57 2a6x s LYS 9 Cb 0.00 -2.97 -0.08 0.00 -1.68 0.00 0.00 37.83 33.11 2a6x s LYS 9 CO 0.00 0.45 0.03 1.67 -0.76 0.00 0.00 175.35 176.73 2a6x s TRP 10 N -1.43 2.53 -0.67 3.18 -2.14 -1.26 -4.86 118.94 114.29 2a6x s TRP 10 Ca 0.40 -0.65 -0.23 0.00 2.66 0.00 0.00 56.10 58.29 2a6x s TRP 10 Cb -0.18 -1.78 0.07 0.00 -3.10 0.00 0.00 33.47 28.48 2a6x s TRP 10 CO 0.22 0.42 1.00 1.21 -2.66 0.00 0.00 176.95 177.14 2a6x s ASN 11 N -3.73 6.17 0.51 -2.66 3.84 0.28 -4.93 114.94 114.42 2a6x s ASN 11 Ca 0.36 -0.94 0.21 0.00 0.21 0.00 0.00 52.86 52.70 2a6x s ASN 11 Cb 0.09 -2.43 1.32 0.00 -0.55 0.00 0.00 41.25 39.68 2a6x s ASN 11 CO 0.19 -1.48 2.09 0.11 -2.79 0.00 0.00 177.10 175.21 2a6x h LYS 12 N 9.62 0.00 0.00 0.43 1.57 -1.94 -2.19 116.57 124.05 2a6x h LYS 12 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2a6x h LYS 12 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2a6x h LYS 12 CO 1.19 0.10 0.00 0.78 -0.57 0.00 0.00 179.45 180.96 2a6x h GLY 13 N 0.44 0.00 -0.92 3.86 0.00 -1.96 -2.77 103.07 101.72 2a6x h GLY 13 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2a6x h GLY 13 CO 0.01 0.00 -0.39 -1.72 0.00 0.00 0.00 176.54 174.44 2a6x n TYR 14 N -2.77 0.00 -4.53 5.60 4.01 -0.84 -4.87 117.16 113.76 2a6x n TYR 14 Ca -0.01 -0.91 -0.25 0.00 -0.16 0.00 0.00 57.90 56.58 2a6x n TYR 14 Cb 0.15 -0.16 -0.11 0.00 -0.31 0.00 0.00 39.34 38.91 2a6x n TYR 14 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2a6x s SER 15 N -2.53 3.21 0.18 7.72 0.01 -1.05 -4.05 113.70 117.20 2a6x s SER 15 Ca 0.29 -1.34 -0.22 0.00 1.31 0.00 0.00 55.95 55.99 2a6x s SER 15 Cb 0.27 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 66.17 2a6x s SER 15 CO -0.04 -0.47 0.73 -0.76 0.41 0.00 0.00 173.24 173.12 2a6x s LEU 16 N -3.59 4.47 1.00 2.44 1.43 -0.48 -4.98 118.68 118.96 2a6x s LEU 16 Ca 0.35 1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 2a6x s LEU 16 Cb 0.08 -3.38 0.19 0.00 0.03 0.00 0.00 46.19 43.11 2a6x s LEU 16 CO 0.16 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.82 2a6x s PRO 17 N -1.52 0.43 -0.16 1.29 0.04 -1.26 -4.63 135.00 129.19 2a6x s PRO 17 Ca 0.38 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2a6x s PRO 17 Cb -0.20 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2a6x s PRO 17 CO 0.23 -2.72 2.12 1.21 0.04 0.00 0.00 177.00 177.88 2a6x s ASN 18 N -3.53 5.73 0.22 6.66 3.84 -1.26 -4.85 114.94 121.76 2a6x s ASN 18 Ca 0.65 2.04 0.03 0.00 0.21 0.00 0.00 52.86 55.79 2a6x s ASN 18 Cb -0.18 -2.52 0.20 0.00 -0.55 0.00 0.00 41.25 38.20 2a6x s ASN 18 CO 0.57 -1.72 1.53 -0.07 -2.79 0.00 0.00 177.10 174.62 2a6x h LEU 19 N 13.87 0.34 -1.04 3.21 3.38 -1.82 -2.54 115.31 130.71 2a6x h LEU 19 Ca -0.42 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.42 2a6x h LEU 19 Cb 1.23 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2a6x h LEU 19 CO 0.96 0.88 0.64 0.25 0.09 0.00 0.00 178.44 181.26 2a6x h LEU 20 N 0.22 0.99 -0.23 1.67 5.85 -1.89 -2.79 115.31 119.14 2a6x h LEU 20 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2a6x h LEU 20 Cb 1.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2a6x h LEU 20 CO 0.10 0.61 -0.13 -0.62 -0.34 0.00 0.00 178.44 178.06 2a6x n GLU 21 N -4.52 0.64 -2.01 1.25 1.02 -0.97 -4.86 120.64 111.18 2a6x n GLU 21 Ca 0.16 -0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 2a6x n GLU 21 Cb 0.23 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 2a6x n GLU 21 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2a6x s VAL 22 N -2.52 3.20 -0.05 2.62 1.01 -1.05 -4.87 120.40 118.74 2a6x s VAL 22 Ca 0.27 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.98 2a6x s VAL 22 Cb 0.20 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 2a6x s VAL 22 CO 0.49 0.00 0.08 0.35 0.00 0.00 0.00 175.10 176.02 2a6x n THR 23 N 4.63 0.33 -3.73 3.92 -2.24 -1.26 -4.93 114.28 111.01 2a6x n THR 23 Ca 0.15 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 2a6x n THR 23 Cb 0.41 -0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.10 2a6x n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a6x s ASP 24 N -3.56 3.70 0.17 3.42 -1.08 -1.26 -5.03 116.67 113.02 2a6x s ASP 24 Ca -0.03 -1.38 -0.11 0.00 -0.52 0.00 0.00 52.55 50.51 2a6x s ASP 24 Cb 0.03 -0.76 0.07 0.00 -1.46 0.00 0.00 42.92 40.80 2a6x s ASP 24 CO 0.32 -0.38 1.69 1.56 0.52 0.00 0.00 175.17 178.88 2a6x h GLN 25 N 8.15 0.95 -0.45 4.34 4.20 -1.97 -0.48 115.11 129.85 2a6x h GLN 25 Ca -0.15 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 2a6x h GLN 25 Cb 1.04 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 2a6x h GLN 25 CO 0.43 0.86 0.13 1.96 -0.67 0.00 0.00 178.83 181.54 2a6x h GLN 26 N 0.86 0.71 -0.35 1.46 4.20 -1.96 -0.21 115.11 119.82 2a6x h GLN 26 Ca 0.19 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2a6x h GLN 26 Cb 0.33 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2a6x h GLN 26 CO -0.00 0.69 0.12 -0.22 -0.67 0.00 0.00 178.83 178.75 2a6x h LYS 27 N 0.59 0.54 0.00 1.46 3.64 -1.95 -3.07 116.57 117.79 2a6x h LYS 27 Ca 0.14 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2a6x h LYS 27 Cb 0.29 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2a6x h LYS 27 CO -0.00 0.55 -1.24 0.39 -2.27 0.00 0.00 179.45 176.88 2a6x n GLU 28 N -4.66 0.36 -0.51 1.90 1.02 -0.21 -4.14 120.64 114.40 2a6x n GLU 28 Ca -0.01 -0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.13 2a6x n GLU 28 Cb 0.16 -1.58 0.21 0.00 -0.02 0.00 0.00 31.44 30.21 2a6x n GLU 28 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a6x n LEU 29 N -2.03 3.58 0.25 -4.62 4.77 -0.10 -4.71 117.00 114.14 2a6x n LEU 29 Ca 0.01 -3.36 0.17 0.00 -0.03 0.00 0.00 56.01 52.79 2a6x n LEU 29 Cb 0.46 -0.55 0.82 0.00 -2.33 0.00 0.00 43.42 41.82 2a6x n LEU 29 CO 0.42 0.94 1.01 0.77 -1.33 0.00 0.00 177.39 179.19 2a6x h SER 30 N 1.11 0.00 -0.23 -1.43 4.64 -1.69 -1.22 113.55 114.72 2a6x h SER 30 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2a6x h SER 30 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2a6x h SER 30 CO 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 2a6x n GLN 31 N -2.78 1.63 -4.60 4.77 1.13 -1.26 -4.87 117.38 111.40 2a6x n GLN 31 Ca -0.01 -0.97 -0.23 0.00 -1.94 0.00 0.00 57.00 53.85 2a6x n GLN 31 Cb 0.16 -1.28 -0.16 0.00 0.11 0.00 0.00 30.24 29.07 2a6x n GLN 31 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2a6x s TRP 32 N -1.70 1.33 -0.30 1.08 0.52 -0.46 -0.35 118.94 119.06 2a6x s TRP 32 Ca 0.24 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 55.83 2a6x s TRP 32 Cb 0.12 -0.92 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 2a6x s TRP 32 CO 0.18 -0.15 0.42 0.99 0.02 0.00 0.00 176.95 178.42 2a6x s THR 33 N 0.18 5.12 -0.35 2.01 2.01 0.54 -4.93 115.64 120.23 2a6x s THR 33 Ca -0.05 0.47 -0.19 0.00 0.31 0.00 0.00 61.69 62.23 2a6x s THR 33 Cb -0.11 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 2a6x s THR 33 CO 0.01 0.02 0.57 -0.76 -0.69 0.00 0.00 174.62 173.77 2a6x s LEU 34 N 2.17 4.28 0.00 4.42 1.02 -1.26 -1.61 118.68 127.70 2a6x s LEU 34 Ca 0.16 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.41 2a6x s LEU 34 Cb -0.16 -2.69 -0.04 0.00 0.02 0.00 0.00 46.19 43.33 2a6x s LEU 34 CO 0.11 -0.52 0.05 -0.83 0.02 0.00 0.00 176.35 175.18 2a6x s GLY 35 N 1.76 1.96 0.00 -3.19 0.00 0.41 -4.97 107.32 103.28 2a6x s GLY 35 Ca 0.22 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2a6x s GLY 35 CO 0.14 -0.79 0.00 1.22 0.00 0.00 0.00 173.10 173.67 2a6x n ASP 36 N 1.23 0.00 -1.21 1.64 8.00 -1.26 -2.14 116.55 122.81 2a6x n ASP 36 Ca -0.13 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.48 2a6x n ASP 36 Cb 0.53 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.89 2a6x n ASP 36 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2a6x n LYS 37 N 14.00 2.55 -1.73 -1.24 4.76 0.13 -4.96 118.16 131.67 2a6x n LYS 37 Ca 0.00 -2.37 -0.42 0.00 -2.87 0.00 0.00 58.31 52.64 2a6x n LYS 37 Cb 0.00 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 2a6x n LYS 37 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2a6x n VAL 38 N 1.50 1.59 -3.76 -0.18 3.14 -1.15 -4.60 118.33 114.86 2a6x n VAL 38 Ca 0.21 -0.40 -0.13 0.00 -2.96 0.00 0.00 64.34 61.07 2a6x n VAL 38 Cb 0.60 -1.79 -0.10 0.00 -1.06 0.00 0.00 33.84 31.49 2a6x n VAL 38 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2a6x s LYS 39 N -1.37 0.46 -0.22 1.45 -2.85 -0.70 -4.89 119.74 111.63 2a6x s LYS 39 Ca 0.59 0.29 -0.29 0.00 -1.00 0.00 0.00 55.97 55.56 2a6x s LYS 39 Cb -0.53 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 35.46 2a6x s LYS 39 CO 0.57 -0.08 1.05 -1.17 0.10 0.00 0.00 175.35 175.82 2a6x s LEU 40 N -0.22 4.11 -0.03 2.77 2.96 -1.26 -0.99 118.68 126.02 2a6x s LEU 40 Ca -0.04 1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 55.27 2a6x s LEU 40 Cb -0.03 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.15 2a6x s LEU 40 CO 0.01 -0.66 0.06 -0.70 -1.32 0.00 0.00 176.35 173.75 2a6x s GLU 41 N 3.13 -0.03 -1.38 1.98 2.12 0.35 -4.87 118.70 120.01 2a6x s GLU 41 Ca 0.45 0.28 -0.11 0.00 0.36 0.00 0.00 54.97 55.94 2a6x s GLU 41 Cb -0.15 -0.30 0.09 0.00 0.26 0.00 0.00 34.13 34.03 2a6x s GLU 41 CO 0.07 -0.21 0.58 0.39 -0.54 0.00 0.00 175.26 175.55 2a6x n GLU 42 N 4.50 -3.52 -0.59 4.30 -0.58 -1.26 -1.71 120.64 121.78 2a6x n GLU 42 Ca -0.21 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2a6x n GLU 42 Cb 0.50 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.18 2a6x n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a6x n GLY 43 N -1.25 0.73 3.15 0.62 0.00 -1.26 -4.97 105.19 102.21 2a6x n GLY 43 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2a6x n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a6x s ARG 44 N -0.41 0.90 -0.08 1.61 3.03 -0.69 -3.60 118.95 119.71 2a6x s ARG 44 Ca 0.00 -1.42 -0.21 0.00 2.03 0.00 0.00 55.73 56.13 2a6x s ARG 44 Cb 0.00 0.24 -0.04 0.00 -1.03 0.00 0.00 34.95 34.12 2a6x s ARG 44 CO 0.00 -0.25 0.59 -0.06 -1.13 0.00 0.00 175.30 174.45 2a6x s PHE 45 N -4.04 3.56 -0.36 5.89 0.08 -0.25 -0.49 117.98 122.38 2a6x s PHE 45 Ca 0.23 1.09 -0.10 0.00 0.12 0.00 0.00 56.93 58.27 2a6x s PHE 45 Cb 0.07 -2.67 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 2a6x s PHE 45 CO 0.01 0.16 0.18 0.08 -0.10 0.00 0.00 175.22 175.54 2a6x s VAL 46 N 0.60 4.41 0.19 -0.44 1.01 -0.16 -0.84 120.40 125.17 2a6x s VAL 46 Ca 0.32 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2a6x s VAL 46 Cb -0.17 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2a6x s VAL 46 CO 0.15 -0.18 1.53 -0.07 0.00 0.00 0.00 175.10 176.53 2a6x h LEU 47 N 8.38 0.72 -6.24 3.92 3.38 -1.17 -1.86 115.31 122.45 2a6x h LEU 47 Ca -0.26 -0.34 -0.59 0.00 0.09 0.00 0.00 57.88 56.78 2a6x h LEU 47 Cb 1.11 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 41.25 2a6x h LEU 47 CO 0.65 1.06 -0.82 0.35 0.09 0.00 0.00 178.44 179.77 2a6x n THR 48 N -4.02 0.77 0.58 0.22 -2.24 -1.24 -2.67 114.28 105.69 2a6x n THR 48 Ca -0.02 -4.54 0.11 0.00 -2.27 0.00 0.00 64.05 57.32 2a6x n THR 48 Cb 0.55 -2.01 0.44 0.00 -2.10 0.00 0.00 70.33 67.21 2a6x n THR 48 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2a6x n PRO 49 N 1.39 0.09 -4.34 -0.78 -0.04 -1.26 -4.49 135.00 125.57 2a6x n PRO 49 Ca 0.25 0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 63.76 2a6x n PRO 49 Cb 0.46 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 2a6x n PRO 49 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2a6x s GLY 50 N -3.24 2.26 0.23 0.55 0.00 -1.26 -5.09 107.32 100.77 2a6x s GLY 50 Ca 0.08 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 42.71 2a6x s GLY 50 CO 0.40 -1.57 1.51 0.54 0.00 0.00 0.00 173.10 173.98 2a6x s LYS 51 N -3.65 4.22 -1.28 2.90 1.02 -1.26 -3.10 119.74 118.59 2a6x s LYS 51 Ca 0.36 2.38 -0.06 0.00 0.02 0.00 0.00 55.97 58.66 2a6x s LYS 51 Cb 0.03 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 2a6x s LYS 51 CO 0.21 -0.52 0.64 0.09 -0.92 0.00 0.00 175.35 174.86 2a6x n ASN 52 N 2.81 -2.32 -4.63 2.83 4.13 -0.71 -4.93 115.26 112.44 2a6x n ASN 52 Ca 0.09 -0.93 -0.24 0.00 1.68 0.00 0.00 54.58 55.18 2a6x n ASN 52 Cb 0.39 -3.59 -0.08 0.00 -1.54 0.00 0.00 39.78 34.96 2a6x n ASN 52 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2a6x s THR 53 N -3.69 2.93 0.10 3.41 -4.23 -1.18 -4.97 115.64 108.00 2a6x s THR 53 Ca 0.16 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 2a6x s THR 53 Cb -0.05 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 2a6x s THR 53 CO 0.85 -0.28 -0.07 -1.59 -0.54 0.00 0.00 174.62 172.99 2a6x s LYS 54 N -3.69 0.82 0.01 3.99 -2.85 -1.26 -1.95 119.74 114.80 2a6x s LYS 54 Ca 0.33 -1.30 -0.28 0.00 -1.00 0.00 0.00 55.97 53.72 2a6x s LYS 54 Cb -0.03 -0.22 0.08 0.00 -2.06 0.00 0.00 37.83 35.60 2a6x s LYS 54 CO 0.19 -0.01 0.71 0.20 0.10 0.00 0.00 175.35 176.54 2a6x s GLY 55 N -2.95 -0.55 0.02 0.59 0.00 -0.79 -0.69 107.32 102.95 2a6x s GLY 55 Ca 0.10 1.11 -0.21 0.00 0.00 0.00 0.00 44.72 45.72 2a6x s GLY 55 CO -0.04 0.66 0.48 -1.35 0.00 0.00 0.00 173.10 172.85 2a6x s SER 56 N -1.79 -0.39 -0.12 1.64 1.04 -0.91 -1.14 113.70 112.03 2a6x s SER 56 Ca -0.05 0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 2a6x s SER 56 Cb -0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2a6x s SER 56 CO -0.00 -0.64 -0.07 -0.76 0.98 0.00 0.00 173.24 172.75 2a6x s LEU 57 N -1.76 1.21 -0.09 2.42 1.43 0.02 -0.45 118.68 121.46 2a6x s LEU 57 Ca -0.07 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 2a6x s LEU 57 Cb -0.01 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2a6x s LEU 57 CO 0.01 -0.13 -0.20 0.26 0.23 0.00 0.00 176.35 176.51 2a6x s TRP 58 N 1.71 2.20 0.08 0.29 0.52 -0.63 -0.99 118.94 122.12 2a6x s TRP 58 Ca 0.04 -0.88 -0.30 0.00 0.02 0.00 0.00 56.10 54.98 2a6x s TRP 58 Cb -0.13 -1.50 -0.06 0.00 -1.15 0.00 0.00 33.47 30.63 2a6x s TRP 58 CO -0.08 -0.38 1.17 -1.17 0.02 0.00 0.00 176.95 176.52 2a6x s LEU 59 N 0.46 4.39 -0.05 2.99 2.96 -0.22 -0.34 118.68 128.86 2a6x s LEU 59 Ca -0.17 2.02 -0.24 0.00 -0.22 0.00 0.00 54.13 55.51 2a6x s LEU 59 Cb -0.17 -3.58 -0.19 0.00 0.50 0.00 0.00 46.19 42.74 2a6x s LEU 59 CO 0.07 -0.42 1.02 0.11 -1.32 0.00 0.00 176.35 175.81 2a6x h LYS 60 N 6.46 -0.09 -6.82 1.98 1.57 -1.02 -3.41 116.57 115.24 2a6x h LYS 60 Ca -0.42 0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.84 2a6x h LYS 60 Cb 1.21 0.02 0.06 0.00 0.08 0.00 0.00 32.23 33.60 2a6x h LYS 60 CO 0.79 0.47 0.67 -1.25 -0.57 0.00 0.00 179.45 179.56 2a6x s PRO 61 N -3.56 4.34 -0.02 3.15 0.04 -1.26 -5.00 135.00 132.70 2a6x s PRO 61 Ca -0.15 2.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 2a6x s PRO 61 Cb 0.00 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.39 2a6x s PRO 61 CO 0.59 -0.25 0.44 -1.21 0.04 0.00 0.00 177.00 176.61 2a6x s GLU 62 N -1.23 4.03 -0.20 4.56 2.02 -1.26 -4.80 118.70 121.82 2a6x s GLU 62 Ca 0.52 0.45 -0.09 0.00 0.02 0.00 0.00 54.97 55.87 2a6x s GLU 62 Cb -0.40 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2a6x s GLU 62 CO 0.49 0.58 0.12 -0.47 0.02 0.00 0.00 175.26 175.99 2a6x s TYR 63 N -0.75 3.36 -0.32 1.61 5.04 -0.04 -4.78 117.35 121.46 2a6x s TYR 63 Ca 0.24 0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 55.02 2a6x s TYR 63 Cb -0.17 -2.15 -0.00 0.00 0.35 0.00 0.00 41.96 39.99 2a6x s TYR 63 CO 0.13 0.23 0.17 -1.12 -1.34 0.00 0.00 175.55 173.62 2a6x s SER 64 N 0.45 5.63 0.52 4.32 0.01 -1.26 -0.31 113.70 123.07 2a6x s SER 64 Ca 0.07 -0.59 -0.19 0.00 1.31 0.00 0.00 55.95 56.55 2a6x s SER 64 Cb -0.12 -2.02 -0.07 0.00 0.21 0.00 0.00 66.02 64.03 2a6x s SER 64 CO -0.01 -0.23 1.08 -0.51 0.41 0.00 0.00 173.24 173.98 2a6x s ILE 65 N 1.62 3.52 0.00 1.44 2.07 -1.26 -5.06 121.20 123.53 2a6x s ILE 65 Ca 0.04 0.92 0.00 0.00 -1.41 0.00 0.00 60.65 60.20 2a6x s ILE 65 Cb -0.17 -3.37 0.00 0.00 0.13 0.00 0.00 42.46 39.05 2a6x s ILE 65 CO 0.07 -0.23 0.00 0.29 -1.91 0.00 0.00 174.94 173.15 2a6x n LYS 66 N -1.25 0.00 0.01 3.50 4.76 -1.26 -4.97 118.16 118.95 2a6x n LYS 66 Ca 0.10 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 2a6x n LYS 66 Cb 0.52 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.75 2a6x n LYS 66 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2a6x h ASP 67 N 0.00 0.62 -4.91 4.39 3.45 -1.96 -3.45 116.42 114.56 2a6x h ASP 67 Ca 0.00 -0.34 0.09 0.00 0.43 0.00 0.00 57.03 57.21 2a6x h ASP 67 Cb 0.00 -0.18 -0.12 0.00 -0.56 0.00 0.00 39.33 38.47 2a6x h ASP 67 CO 0.00 1.06 0.40 0.00 -1.57 0.00 0.00 179.24 179.14 2a6x s ALA 68 N -3.95 -1.68 0.01 3.45 0.00 -1.26 -2.80 121.76 115.53 2a6x s ALA 68 Ca -0.07 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 2a6x s ALA 68 Cb 0.11 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2a6x s ALA 68 CO 0.84 -0.81 0.14 0.00 0.00 0.00 0.00 175.76 175.93 2a6x s MET 69 N -3.38 0.53 -0.06 0.00 0.23 -0.38 -2.71 119.30 113.53 2a6x s MET 69 Ca 0.06 -0.47 0.04 0.00 -1.03 0.00 0.00 55.69 54.29 2a6x s MET 69 Cb -0.02 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.51 2a6x s MET 69 CO -0.06 -0.13 -0.17 0.99 -2.03 0.00 0.00 175.02 173.62 2a6x s THR 70 N -1.69 1.48 -0.12 3.16 2.01 -0.71 -1.48 115.64 118.28 2a6x s THR 70 Ca -0.12 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2a6x s THR 70 Cb -0.06 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.17 2a6x s THR 70 CO 0.00 0.43 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.51 2a6x s ILE 71 N 0.30 2.09 -0.16 1.82 1.01 0.34 -0.30 121.20 126.30 2a6x s ILE 71 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.57 2a6x s ILE 71 Cb -0.14 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.53 2a6x s ILE 71 CO 0.04 0.55 -0.19 -1.61 0.00 0.00 0.00 174.94 173.73 2a6x s GLU 72 N 0.62 2.87 -0.11 2.79 2.02 0.30 -0.59 118.70 126.59 2a6x s GLU 72 Ca -0.12 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 2a6x s GLU 72 Cb -0.16 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 2a6x s GLU 72 CO 0.02 -0.16 -0.08 -1.58 0.02 0.00 0.00 175.26 173.49 2a6x s TRP 73 N 1.19 2.92 -0.20 1.61 0.52 -0.15 -1.31 118.94 123.52 2a6x s TRP 73 Ca 0.02 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 2a6x s TRP 73 Cb -0.14 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 2a6x s TRP 73 CO -0.09 0.05 -0.04 0.99 0.02 0.00 0.00 176.95 177.87 2a6x s THR 74 N -0.08 3.55 0.14 2.01 2.01 -0.43 -0.33 115.64 122.52 2a6x s THR 74 Ca 0.00 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 2a6x s THR 74 Cb -0.13 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 2a6x s THR 74 CO 0.03 0.44 0.12 0.72 -0.69 0.00 0.00 174.62 175.24 2a6x s PHE 75 N 1.13 0.77 0.09 4.92 -0.12 -0.32 -0.32 117.98 124.13 2a6x s PHE 75 Ca 0.02 -1.13 -0.12 0.00 -0.05 0.00 0.00 56.93 55.65 2a6x s PHE 75 Cb -0.15 -0.38 0.01 0.00 -0.63 0.00 0.00 43.02 41.88 2a6x s PHE 75 CO -0.00 -0.58 0.28 -0.98 -0.05 0.00 0.00 175.22 173.89 2a6x s ARG 76 N -4.04 0.91 -0.09 1.99 1.70 -0.42 -0.98 118.95 118.03 2a6x s ARG 76 Ca 0.24 -0.80 0.04 0.00 -0.47 0.00 0.00 55.73 54.74 2a6x s ARG 76 Cb 0.06 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2a6x s ARG 76 CO 0.02 -0.31 -0.23 0.45 -1.08 0.00 0.00 175.30 174.15 2a6x s SER 77 N -2.70 3.20 0.02 -2.89 0.15 -1.26 -0.79 113.70 109.42 2a6x s SER 77 Ca 0.03 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2a6x s SER 77 Cb 0.03 -1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2a6x s SER 77 CO -0.10 0.20 -0.03 0.12 1.20 0.00 0.00 173.24 174.63 2a6x s PHE 78 N 0.12 0.23 0.00 3.44 2.19 -0.27 -1.33 117.98 122.36 2a6x s PHE 78 Ca -0.12 -0.38 0.00 0.00 0.33 0.00 0.00 56.93 56.76 2a6x s PHE 78 Cb -0.16 -0.16 0.00 0.00 -1.31 0.00 0.00 43.02 41.39 2a6x s PHE 78 CO 0.06 -0.13 0.00 0.41 1.83 0.00 0.00 175.22 177.40 2a6x n GLY 79 N 2.00 2.05 3.34 13.12 0.00 -1.26 -0.86 105.19 123.58 2a6x n GLY 79 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2a6x n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a6x s PHE 80 N -2.36 -0.60 -0.08 1.61 5.36 -1.26 -4.74 117.98 115.91 2a6x s PHE 80 Ca 0.00 1.35 0.04 0.00 -0.96 0.00 0.00 56.93 57.35 2a6x s PHE 80 Cb 0.00 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 2a6x s PHE 80 CO 0.00 -0.32 -0.20 0.50 -1.46 0.00 0.00 175.22 173.75 2a6x s ARG 81 N 0.92 2.49 0.00 10.12 3.52 -1.26 -3.58 118.95 131.17 2a6x s ARG 81 Ca -0.05 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 2a6x s ARG 81 Cb -0.06 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 2a6x s ARG 81 CO -0.08 0.15 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 2a6x n GLY 82 N 3.56 0.88 3.77 8.12 0.00 -1.26 -5.09 105.19 115.16 2a6x n GLY 82 Ca -0.20 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.30 2a6x n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a6x s SER 83 N -0.79 6.42 0.11 1.61 1.04 -1.26 -4.97 113.70 115.86 2a6x s SER 83 Ca 0.00 2.23 -0.25 0.00 0.48 0.00 0.00 55.95 58.41 2a6x s SER 83 Cb 0.00 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.60 2a6x s SER 83 CO 0.00 -0.74 0.69 0.28 0.98 0.00 0.00 173.24 174.45 2a6x s THR 84 N -1.56 0.00 -0.70 2.02 -1.32 -1.26 -5.02 115.64 107.80 2a6x s THR 84 Ca 0.60 -0.02 0.25 0.00 -1.21 0.00 0.00 61.69 61.31 2a6x s THR 84 Cb -0.27 -1.03 0.26 0.00 -1.51 0.00 0.00 72.50 69.96 2a6x s THR 84 CO 0.33 0.00 1.76 0.29 -2.21 0.00 0.00 174.62 174.79 2a6x n LYS 85 N -0.34 0.20 -1.55 7.08 5.02 -1.26 -4.84 118.16 122.47 2a6x n LYS 85 Ca -0.14 0.25 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 2a6x n LYS 85 Cb 0.64 -1.77 0.11 0.00 -0.02 0.00 0.00 35.03 33.99 2a6x n LYS 85 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2a6x s GLY 86 N -3.47 1.60 -0.06 0.72 0.00 -1.26 -4.92 107.32 99.93 2a6x s GLY 86 Ca 0.09 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 44.13 2a6x s GLY 86 CO 0.51 0.12 1.21 -0.32 0.00 0.00 0.00 173.10 174.62 2a6x s GLY 87 N -3.97 -0.36 -0.11 0.20 0.00 -0.30 -4.66 107.32 98.12 2a6x s GLY 87 Ca 0.62 0.97 0.02 0.00 0.00 0.00 0.00 44.72 46.33 2a6x s GLY 87 CO 0.54 0.26 -0.16 -2.27 0.00 0.00 0.00 173.10 171.47 2a6x s LEU 88 N -2.67 1.77 0.05 0.66 2.96 -0.52 -2.04 118.68 118.88 2a6x s LEU 88 Ca 0.12 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 2a6x s LEU 88 Cb 0.02 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 2a6x s LEU 88 CO -0.04 0.03 -0.24 0.00 -1.32 0.00 0.00 176.35 174.78 2a6x s ALA 89 N 0.93 2.38 -0.07 5.97 0.00 0.61 -0.58 121.76 131.00 2a6x s ALA 89 Ca -0.07 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.68 2a6x s ALA 89 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2a6x s ALA 89 CO -0.01 0.55 -0.23 -0.06 0.00 0.00 0.00 175.76 176.01 2a6x s PHE 90 N -0.86 2.29 0.03 0.00 0.08 0.51 -1.30 117.98 118.73 2a6x s PHE 90 Ca 0.13 -0.76 0.08 0.00 0.12 0.00 0.00 56.93 56.50 2a6x s PHE 90 Cb -0.10 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2a6x s PHE 90 CO 0.03 -0.26 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.09 2a6x s TRP 91 N 0.05 1.96 -0.28 0.36 0.52 -0.16 -0.65 118.94 120.75 2a6x s TRP 91 Ca -0.08 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.64 2a6x s TRP 91 Cb -0.15 -1.20 0.09 0.00 -1.15 0.00 0.00 33.47 31.07 2a6x s TRP 91 CO 0.05 0.07 0.09 -1.17 0.02 0.00 0.00 176.95 176.01 2a6x s LEU 92 N -1.03 1.54 0.18 2.99 2.96 -0.66 -2.63 118.68 122.04 2a6x s LEU 92 Ca 0.09 -1.37 0.10 0.00 -0.22 0.00 0.00 54.13 52.72 2a6x s LEU 92 Cb -0.09 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 2a6x s LEU 92 CO 0.01 -0.40 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.97 2a6x s LYS 93 N 1.80 1.92 0.09 1.98 1.02 -0.19 -0.34 119.74 126.03 2a6x s LYS 93 Ca 0.07 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.75 2a6x s LYS 93 Cb -0.17 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2a6x s LYS 93 CO -0.25 0.43 0.07 1.04 -0.92 0.00 0.00 175.35 175.72 2a6x n GLN 94 N 0.11 0.22 -0.06 1.68 6.02 -0.33 -0.63 117.38 124.38 2a6x n GLN 94 Ca -0.11 -0.89 0.01 0.00 -0.01 0.00 0.00 57.00 55.99 2a6x n GLN 94 Cb 0.56 0.69 -0.00 0.00 1.02 0.00 0.00 30.24 32.51 2a6x n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a6x n GLY 95 N 0.08 -1.82 3.78 1.08 0.00 -1.26 -4.23 105.19 102.81 2a6x n GLY 95 Ca 0.02 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2a6x n GLY 95 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a6x s ASN 96 N -3.93 7.14 -0.03 1.61 0.01 -1.26 -5.04 114.94 113.44 2a6x s ASN 96 Ca 0.00 1.95 -0.14 0.00 -0.71 0.00 0.00 52.86 53.96 2a6x s ASN 96 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 2a6x s ASN 96 CO 0.00 -0.21 0.37 -1.83 -1.51 0.00 0.00 177.10 173.91 2a6x s GLU 97 N -2.13 3.90 0.00 -0.60 -1.05 -1.26 -4.95 118.70 112.60 2a6x s GLU 97 Ca 0.52 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 2a6x s GLU 97 Cb -0.21 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.24 2a6x s GLU 97 CO 0.27 0.64 0.00 0.41 0.95 0.00 0.00 175.26 177.53 2a6x n GLY 98 N 2.03 2.32 0.07 -3.83 0.00 -1.26 -5.07 105.19 99.45 2a6x n GLY 98 Ca -0.14 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.04 2a6x n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a6x n ASP 99 N 0.00 1.91 -4.84 1.61 5.75 -1.26 -5.07 116.55 114.65 2a6x n ASP 99 Ca 0.00 -2.46 -0.37 0.00 -0.01 0.00 0.00 54.79 51.95 2a6x n ASP 99 Cb 0.00 -0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 39.81 2a6x n ASP 99 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2a6x s SER 100 N -1.84 6.82 -0.11 -1.12 0.15 -1.26 -4.96 113.70 111.37 2a6x s SER 100 Ca 0.15 0.99 0.16 0.00 0.70 0.00 0.00 55.95 57.95 2a6x s SER 100 Cb 0.13 -2.26 0.24 0.00 -1.71 0.00 0.00 66.02 62.43 2a6x s SER 100 CO 0.01 0.25 1.13 0.35 1.20 0.00 0.00 173.24 176.18 2a6x n THR 101 N 1.45 1.57 0.23 6.45 -2.24 -1.26 -3.17 114.28 117.31 2a6x n THR 101 Ca -0.11 -1.90 0.10 0.00 -2.27 0.00 0.00 64.05 59.88 2a6x n THR 101 Cb 0.52 -0.11 0.56 0.00 -2.10 0.00 0.00 70.33 69.20 2a6x n THR 101 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2a6x h GLU 102 N 0.03 0.00 -4.51 -0.78 4.11 -1.83 -2.64 114.58 108.95 2a6x h GLU 102 Ca -0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.72 2a6x h GLU 102 Cb 1.07 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.06 2a6x h GLU 102 CO 0.00 0.21 -0.49 -1.17 0.07 0.00 0.00 179.01 177.63 2a6x s LEU 103 N -7.16 4.94 -1.52 3.06 2.96 -0.22 -4.58 118.68 116.16 2a6x s LEU 103 Ca -0.01 -1.28 -0.16 0.00 -0.22 0.00 0.00 54.13 52.46 2a6x s LEU 103 Cb 0.12 -2.00 0.14 0.00 0.50 0.00 0.00 46.19 44.95 2a6x s LEU 103 CO 0.62 -0.47 0.65 0.49 -1.32 0.00 0.00 176.35 176.32 2a6x n PHE 104 N 4.95 -1.70 -1.04 5.38 3.72 -1.26 -1.69 117.46 125.82 2a6x n PHE 104 Ca -0.11 0.65 -0.01 0.00 -0.05 0.00 0.00 57.45 57.93 2a6x n PHE 104 Cb 0.44 -2.69 -0.01 0.00 -0.94 0.00 0.00 39.48 36.29 2a6x n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a6x n GLY 105 N -1.24 0.39 0.00 1.37 0.00 -1.00 -3.10 105.19 101.61 2a6x n GLY 105 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2a6x n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a6x n GLY 106 N -1.30 0.00 3.38 -0.02 0.00 -0.68 -4.67 105.19 101.90 2a6x n GLY 106 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2a6x n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a6x s SER 107 N -1.52 -0.38 0.65 1.61 0.15 -1.15 -4.80 113.70 108.26 2a6x s SER 107 Ca 0.00 -0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.27 2a6x s SER 107 Cb 0.00 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2a6x s SER 107 CO 0.00 -0.93 1.21 -0.55 1.20 0.00 0.00 173.24 174.17 2a6x s SER 108 N -2.79 4.81 0.48 5.45 0.15 -1.22 -1.05 113.70 119.53 2a6x s SER 108 Ca 0.03 2.38 0.13 0.00 0.70 0.00 0.00 55.95 59.19 2a6x s SER 108 Cb 0.00 -2.59 1.12 0.00 -1.71 0.00 0.00 66.02 62.84 2a6x s SER 108 CO -0.11 -1.85 2.10 0.11 1.20 0.00 0.00 173.24 174.69 2a6x h LYS 109 N 0.42 0.13 -5.59 5.44 1.57 -1.93 -3.37 116.57 113.24 2a6x h LYS 109 Ca -0.49 -0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 57.65 2a6x h LYS 109 Cb 1.30 -0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 2a6x h LYS 109 CO 0.53 0.12 0.49 0.21 -0.57 0.00 0.00 179.45 180.24 2a6x s LYS 110 N -5.09 3.22 0.14 3.15 2.20 -1.26 -0.63 119.74 121.47 2a6x s LYS 110 Ca -0.06 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 54.91 2a6x s LYS 110 Cb 0.17 -4.12 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 2a6x s LYS 110 CO 0.69 -1.57 0.25 -0.59 -0.36 0.00 0.00 175.35 173.77 2a6x s PHE 111 N 3.83 0.31 -0.24 4.03 -0.12 -1.26 -4.92 117.98 119.61 2a6x s PHE 111 Ca 0.25 -0.70 -0.07 0.00 -0.05 0.00 0.00 56.93 56.37 2a6x s PHE 111 Cb -0.15 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.15 2a6x s PHE 111 CO 0.15 -0.66 0.06 -0.80 -0.05 0.00 0.00 175.22 173.92 2a6x s ASN 112 N -2.93 5.05 0.00 1.98 0.01 -1.26 -0.61 114.94 117.18 2a6x s ASN 112 Ca 0.13 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 2a6x s ASN 112 Cb 0.04 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.79 2a6x s ASN 112 CO -0.04 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 2a6x n GLY 113 N 4.88 0.47 3.14 0.66 0.00 -0.07 -1.19 105.19 113.07 2a6x n GLY 113 Ca -0.16 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 2a6x n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a6x s LEU 114 N 0.00 1.90 -0.15 0.99 2.96 0.54 -1.60 118.68 123.32 2a6x s LEU 114 Ca 0.00 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2a6x s LEU 114 Cb 0.00 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.67 2a6x s LEU 114 CO 0.00 0.14 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.65 2a6x s MET 115 N 0.15 3.05 -0.23 1.98 -2.45 -0.41 -1.66 119.30 119.74 2a6x s MET 115 Ca -0.07 -0.83 -0.06 0.00 -1.25 0.00 0.00 55.69 53.48 2a6x s MET 115 Cb -0.13 -2.51 -0.02 0.00 1.25 0.00 0.00 34.83 33.41 2a6x s MET 115 CO 0.03 -0.06 0.03 0.42 1.05 0.00 0.00 175.02 176.49 2a6x s ILE 116 N 0.94 4.05 -0.12 10.11 1.01 0.18 -0.64 121.20 136.74 2a6x s ILE 116 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2a6x s ILE 116 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2a6x s ILE 116 CO -0.04 0.38 -0.23 -0.22 0.00 0.00 0.00 174.94 174.83 2a6x s LEU 117 N 1.39 2.10 -0.30 2.97 2.96 0.02 -0.36 118.68 127.45 2a6x s LEU 117 Ca 0.05 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2a6x s LEU 117 Cb -0.15 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2a6x s LEU 117 CO 0.02 0.12 0.17 -0.76 -1.32 0.00 0.00 176.35 174.58 2a6x s LEU 118 N 0.56 4.09 0.29 -0.68 1.02 0.25 -1.06 118.68 123.15 2a6x s LEU 118 Ca -0.13 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.43 2a6x s LEU 118 Cb -0.17 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.03 2a6x s LEU 118 CO 0.04 -0.16 0.74 0.00 0.02 0.00 0.00 176.35 176.99 2a6x s ARG 119 N 1.66 1.85 -0.68 1.70 1.70 -1.05 -1.44 118.95 122.68 2a6x s ARG 119 Ca 0.05 -1.05 -0.19 0.00 -0.47 0.00 0.00 55.73 54.08 2a6x s ARG 119 Cb -0.17 0.61 0.12 0.00 -0.57 0.00 0.00 34.95 34.94 2a6x s ARG 119 CO 0.08 -0.85 0.81 -1.17 -1.08 0.00 0.00 175.30 173.09 2a6x s LEU 120 N -2.94 5.38 0.29 -1.89 0.20 -1.26 -2.13 118.68 116.33 2a6x s LEU 120 Ca 0.12 -1.64 -0.28 0.00 0.69 0.00 0.00 54.13 53.02 2a6x s LEU 120 Cb -0.06 -2.32 -0.09 0.00 -0.43 0.00 0.00 46.19 43.29 2a6x s LEU 120 CO 0.08 -1.08 1.02 -0.62 -0.29 0.00 0.00 176.35 175.45 2a6x s ASP 121 N 3.47 7.33 0.51 3.68 2.15 -0.53 -4.82 116.67 128.46 2a6x s ASP 121 Ca 0.17 2.07 0.18 0.00 0.43 0.00 0.00 52.55 55.40 2a6x s ASP 121 Cb -0.18 -2.61 1.30 0.00 -0.30 0.00 0.00 42.92 41.13 2a6x s ASP 121 CO 0.02 -0.08 2.12 -2.24 -0.17 0.00 0.00 175.17 174.82 2a6x h ASP 122 N 3.64 0.00 0.01 -0.34 3.04 -1.96 -0.90 116.42 119.92 2a6x h ASP 122 Ca -0.46 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 52.93 2a6x h ASP 122 Cb 1.21 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.43 2a6x h ASP 122 CO 0.66 0.05 -2.43 0.29 -2.04 0.00 0.00 179.24 175.78 2a6x n LYS 123 N -4.34 0.65 0.09 4.15 5.02 -1.26 -4.67 118.16 117.80 2a6x n LYS 123 Ca -0.03 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 2a6x n LYS 123 Cb 0.13 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2a6x n LYS 123 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2a6x h LEU 124 N -0.14 0.00 0.00 -0.35 3.38 -1.95 -3.50 115.31 112.75 2a6x h LEU 124 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2a6x h LEU 124 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2a6x h LEU 124 CO -0.12 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2a6x n GLY 125 N 1.30 -0.66 3.68 0.83 0.00 -0.35 -4.80 105.19 105.19 2a6x n GLY 125 Ca -0.04 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 2a6x n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a6x n GLU 126 N 0.00 2.75 -3.44 1.61 1.02 -1.26 -1.46 120.64 119.86 2a6x n GLU 126 Ca 0.00 1.00 -0.11 0.00 -0.02 0.00 0.00 57.16 58.03 2a6x n GLU 126 Cb 0.00 -2.90 -0.02 0.00 -0.02 0.00 0.00 31.44 28.50 2a6x n GLU 126 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2a6x s SER 127 N 2.98 -0.52 -0.21 1.62 1.04 -0.90 -1.78 113.70 115.92 2a6x s SER 127 Ca 0.83 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 57.18 2a6x s SER 127 Cb -0.49 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 2a6x s SER 127 CO 0.39 -0.88 0.14 -0.69 0.98 0.00 0.00 173.24 173.18 2a6x s VAL 128 N -3.54 5.32 -0.04 5.02 1.01 -0.05 -2.53 120.40 125.58 2a6x s VAL 128 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2a6x s VAL 128 Cb -0.01 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2a6x s VAL 128 CO -0.12 0.40 -0.15 0.42 0.00 0.00 0.00 175.10 175.66 2a6x s THR 129 N 0.65 1.24 -0.13 3.92 -4.23 -0.23 -1.36 115.64 115.50 2a6x s THR 129 Ca 0.07 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2a6x s THR 129 Cb -0.12 -1.08 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 2a6x s THR 129 CO 0.01 0.37 -0.14 0.00 -0.54 0.00 0.00 174.62 174.32 2a6x s ALA 130 N 0.12 2.60 0.00 3.99 0.00 -0.43 -0.80 121.76 127.24 2a6x s ALA 130 Ca -0.04 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.08 2a6x s ALA 130 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 2a6x s ALA 130 CO 0.02 0.23 -0.20 -0.06 0.00 0.00 0.00 175.76 175.75 2a6x s PHE 131 N 0.38 1.81 0.04 0.00 0.08 0.19 -0.99 117.98 119.49 2a6x s PHE 131 Ca -0.11 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.64 2a6x s PHE 131 Cb -0.16 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 2a6x s PHE 131 CO 0.05 0.01 -0.06 -1.17 -0.10 0.00 0.00 175.22 173.95 2a6x s LEU 132 N -0.68 3.19 0.02 -0.37 2.96 -1.26 -1.28 118.68 121.25 2a6x s LEU 132 Ca 0.08 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2a6x s LEU 132 Cb -0.08 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2a6x s LEU 132 CO -0.00 0.24 0.15 0.21 -1.32 0.00 0.00 176.35 175.63 2a6x s ASN 133 N -1.78 0.05 -0.14 3.68 2.47 -0.63 -5.00 114.94 113.60 2a6x s ASN 133 Ca 0.20 -0.30 0.18 0.00 0.42 0.00 0.00 52.86 53.36 2a6x s ASN 133 Cb -0.11 0.24 0.31 0.00 -1.45 0.00 0.00 41.25 40.23 2a6x s ASN 133 CO 0.11 -0.46 1.16 -0.90 -3.72 0.00 0.00 177.10 173.30 2a6x n ASP 134 N 1.08 2.36 0.00 -4.21 5.75 -1.17 -0.89 116.55 119.47 2a6x n ASP 134 Ca -0.21 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.43 2a6x n ASP 134 Cb 0.57 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2a6x n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a6x n GLY 135 N -1.39 1.81 0.09 6.12 0.00 0.22 -4.78 105.19 107.27 2a6x n GLY 135 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2a6x n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a6x n THR 136 N -2.00 1.21 -4.19 2.61 -2.24 -1.26 -4.72 114.28 103.68 2a6x n THR 136 Ca 0.00 -0.70 -0.11 0.00 -2.27 0.00 0.00 64.05 60.97 2a6x n THR 136 Cb 0.00 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 2a6x n THR 136 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2a6x s LYS 137 N -2.90 0.94 -0.07 -0.78 0.00 -1.26 -5.12 119.74 110.54 2a6x s LYS 137 Ca -0.03 -1.42 -0.30 0.00 0.00 0.00 0.00 55.97 54.22 2a6x s LYS 137 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.75 2a6x s LYS 137 CO 0.81 -0.10 1.32 -0.51 0.00 0.00 0.00 175.35 176.87 2a6x s ASP 138 N -3.08 6.92 -0.07 0.03 1.11 -1.26 -4.06 116.67 116.26 2a6x s ASP 138 Ca 0.18 1.90 -0.30 0.00 0.18 0.00 0.00 52.55 54.52 2a6x s ASP 138 Cb 0.06 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 2a6x s ASP 138 CO -0.01 -0.71 1.44 -0.22 1.18 0.00 0.00 175.17 176.85 2a6x s LEU 139 N 2.85 4.28 -0.32 1.23 2.96 0.20 -4.89 118.68 124.98 2a6x s LEU 139 Ca 0.60 2.02 -0.02 0.00 -0.22 0.00 0.00 54.13 56.50 2a6x s LEU 139 Cb -0.27 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 42.94 2a6x s LEU 139 CO 0.22 -0.80 0.04 -0.62 -1.32 0.00 0.00 176.35 173.87 2a6x s ASP 140 N 2.40 4.98 0.18 3.68 2.15 -1.26 -4.78 116.67 124.02 2a6x s ASP 140 Ca 0.64 -1.41 0.22 0.00 0.43 0.00 0.00 52.55 52.43 2a6x s ASP 140 Cb -0.29 -1.74 0.89 0.00 -0.30 0.00 0.00 42.92 41.48 2a6x s ASP 140 CO 0.24 -0.31 1.67 2.30 -0.17 0.00 0.00 175.17 178.89 2a6x n ILE 141 N 4.62 0.81 0.07 4.11 -5.35 -1.26 -0.57 119.36 121.78 2a6x n ILE 141 Ca -0.11 0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.41 2a6x n ILE 141 Cb 0.43 -1.03 -0.09 0.00 -1.74 0.00 0.00 39.64 37.21 2a6x n ILE 141 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2a6x h GLU 142 N 0.00 -0.15 0.00 6.28 4.39 -2.02 -3.40 114.58 119.67 2a6x h GLU 142 Ca 0.00 0.01 -0.43 0.00 0.34 0.00 0.00 59.36 59.28 2a6x h GLU 142 Cb 0.38 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 2a6x h GLU 142 CO 0.00 0.15 -2.44 -1.13 -1.16 0.00 0.00 179.01 174.44 2a6x n SER 143 N -5.02 1.84 -4.69 1.42 3.41 -1.09 -4.94 113.62 104.55 2a6x n SER 143 Ca -0.09 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 2a6x n SER 143 Cb 0.20 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 2a6x n SER 143 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2a6x n SER 144 N -4.18 4.09 -4.79 4.04 3.41 0.26 -4.94 113.62 111.51 2a6x n SER 144 Ca -0.51 0.98 -0.35 0.00 -0.26 0.00 0.00 58.87 58.73 2a6x n SER 144 Cb 0.86 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 2a6x n SER 144 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2a6x s PRO 145 N 2.80 3.76 0.57 4.33 0.04 -1.26 -4.58 135.00 140.66 2a6x s PRO 145 Ca 0.82 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 2a6x s PRO 145 Cb -0.47 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 2a6x s PRO 145 CO 0.37 -0.48 1.03 1.52 0.04 0.00 0.00 177.00 179.48 2a6x s TYR 146 N -1.85 3.22 -0.75 0.56 -0.85 -1.26 -4.83 117.35 111.59 2a6x s TYR 146 Ca 0.67 1.47 0.23 0.00 -0.52 0.00 0.00 57.07 58.92 2a6x s TYR 146 Cb -0.20 -2.89 0.06 0.00 0.38 0.00 0.00 41.96 39.31 2a6x s TYR 146 CO 0.24 -0.81 1.06 1.97 -1.52 0.00 0.00 175.55 176.49 2a6x n PHE 147 N -1.99 0.15 -3.45 -3.49 1.16 -0.16 -4.97 117.46 104.70 2a6x n PHE 147 Ca 0.08 0.04 -0.13 0.00 -1.87 0.00 0.00 57.45 55.57 2a6x n PHE 147 Cb 0.53 -0.31 -0.03 0.00 -1.61 0.00 0.00 39.48 38.07 2a6x n PHE 147 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a6x s ALA 148 N -3.13 -1.60 0.09 1.98 0.00 -1.23 -5.03 121.76 112.85 2a6x s ALA 148 Ca 0.06 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 2a6x s ALA 148 Cb 0.15 0.70 0.08 0.00 0.00 0.00 0.00 23.12 24.05 2a6x s ALA 148 CO 0.80 -0.68 0.77 -1.54 0.00 0.00 0.00 175.76 175.11 2a6x s SER 149 N -2.43 -0.42 0.13 0.00 1.04 -1.26 -1.32 113.70 109.45 2a6x s SER 149 Ca -0.01 -0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.24 2a6x s SER 149 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2a6x s SER 149 CO -0.08 -0.83 0.27 0.00 0.98 0.00 0.00 173.24 173.58 2a6x s LEU 151 N -2.91 4.43 -0.26 0.00 1.43 -1.26 -0.88 118.68 119.23 2a6x s LEU 151 Ca 0.11 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2a6x s LEU 151 Cb 0.03 -2.87 0.11 0.00 0.03 0.00 0.00 46.19 43.50 2a6x s LEU 151 CO -0.05 0.14 0.56 0.12 0.23 0.00 0.00 176.35 177.34 2a6x s PHE 152 N -0.34 -1.12 -0.24 0.29 5.36 -0.74 -4.87 117.98 116.32 2a6x s PHE 152 Ca 0.30 2.00 -0.25 0.00 -0.96 0.00 0.00 56.93 58.01 2a6x s PHE 152 Cb -0.18 0.60 -0.00 0.00 -0.34 0.00 0.00 43.02 43.10 2a6x s PHE 152 CO 0.16 -0.59 0.87 -1.14 -1.46 0.00 0.00 175.22 173.06 2a6x s GLN 153 N 2.75 4.20 0.00 10.12 -0.44 -1.26 -3.54 119.66 131.48 2a6x s GLN 153 Ca -0.04 1.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.84 2a6x s GLN 153 Cb -0.12 -3.64 0.00 0.00 -1.64 0.00 0.00 33.01 27.61 2a6x s GLN 153 CO -0.16 -0.54 0.00 2.48 0.50 0.00 0.00 175.29 177.57 2a6x n TYR 154 N 6.07 0.00 -2.07 1.67 0.18 -1.26 -5.08 117.16 116.66 2a6x n TYR 154 Ca 0.07 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.44 2a6x n TYR 154 Cb 0.47 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.41 2a6x n TYR 154 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2a6x s GLN 155 N -1.23 4.32 -1.27 -3.48 -0.21 -1.26 -3.65 119.66 112.87 2a6x s GLN 155 Ca 0.00 2.27 -0.07 0.00 0.02 0.00 0.00 55.36 57.58 2a6x s GLN 155 Cb 0.00 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 2a6x s GLN 155 CO 0.00 -0.24 0.66 -3.47 -2.12 0.00 0.00 175.29 170.12 2a6x n ASP 156 N 0.75 -2.47 -4.21 5.90 2.03 -0.93 -4.93 116.55 112.69 2a6x n ASP 156 Ca 0.00 -0.93 -0.35 0.00 0.52 0.00 0.00 54.79 54.04 2a6x n ASP 156 Cb 0.41 -3.62 -0.14 0.00 -0.72 0.00 0.00 41.12 37.05 2a6x n ASP 156 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2a6x s SER 157 N -4.04 4.44 0.27 1.67 0.15 -0.45 -4.87 113.70 110.87 2a6x s SER 157 Ca 0.17 -0.90 -0.03 0.00 0.70 0.00 0.00 55.95 55.89 2a6x s SER 157 Cb -0.06 -1.68 0.39 0.00 -1.71 0.00 0.00 66.02 62.96 2a6x s SER 157 CO 0.85 -0.15 1.90 -0.03 1.20 0.00 0.00 173.24 177.01 2a6x h MET 158 N 8.03 1.17 -5.81 5.44 4.05 -1.93 -3.41 114.93 122.46 2a6x h MET 158 Ca -0.31 -0.07 -0.58 0.00 -0.28 0.00 0.00 59.70 58.45 2a6x h MET 158 Cb 1.10 -0.26 -0.08 0.00 -0.80 0.00 0.00 31.60 31.56 2a6x h MET 158 CO 0.57 0.78 0.18 0.08 0.23 0.00 0.00 176.91 178.75 2a6x s VAL 159 N -6.04 4.99 0.93 -5.77 1.01 -1.26 -5.04 120.40 109.22 2a6x s VAL 159 Ca -0.12 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 2a6x s VAL 159 Cb 0.20 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.71 2a6x s VAL 159 CO 0.81 0.12 1.15 -2.16 0.00 0.00 0.00 175.10 175.03 2a6x s PRO 160 N 1.72 0.99 0.26 2.72 0.04 -1.26 -4.97 135.00 134.50 2a6x s PRO 160 Ca 0.33 0.21 0.11 0.00 0.04 0.00 0.00 61.00 61.70 2a6x s PRO 160 Cb -0.16 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2a6x s PRO 160 CO 0.12 -2.28 -0.20 -1.12 0.04 0.00 0.00 177.00 173.56 2a6x s SER 161 N -4.10 3.44 -0.20 6.66 0.01 -0.15 -4.96 113.70 114.39 2a6x s SER 161 Ca 0.65 -1.00 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2a6x s SER 161 Cb -0.14 -0.27 -0.00 0.00 0.21 0.00 0.00 66.02 65.82 2a6x s SER 161 CO 0.53 0.03 -0.09 -0.89 0.41 0.00 0.00 173.24 173.23 2a6x s THR 162 N -2.44 3.01 -0.26 1.44 2.01 -1.26 -1.17 115.64 116.96 2a6x s THR 162 Ca 0.28 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 2a6x s THR 162 Cb -0.05 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2a6x s THR 162 CO 0.13 0.46 0.17 -0.22 -0.69 0.00 0.00 174.62 174.47 2a6x s LEU 163 N 1.35 4.00 -0.26 4.42 0.20 0.56 -0.72 118.68 128.23 2a6x s LEU 163 Ca 0.04 0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.88 2a6x s LEU 163 Cb -0.14 -2.10 0.05 0.00 -0.43 0.00 0.00 46.19 43.57 2a6x s LEU 163 CO -0.05 -0.01 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.31 2a6x s ARG 164 N 1.52 2.49 -0.22 1.98 3.52 0.16 -0.97 118.95 127.43 2a6x s ARG 164 Ca 0.07 -1.19 -0.06 0.00 -0.13 0.00 0.00 55.73 54.42 2a6x s ARG 164 Cb -0.15 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2a6x s ARG 164 CO 0.08 -0.50 0.02 -1.17 -0.81 0.00 0.00 175.30 172.92 2a6x s LEU 165 N 1.20 3.32 -0.10 -0.88 2.96 0.24 -0.74 118.68 124.67 2a6x s LEU 165 Ca -0.05 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2a6x s LEU 165 Cb -0.18 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 2a6x s LEU 165 CO -0.05 0.03 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.93 2a6x s THR 166 N 1.23 2.60 -0.13 3.68 2.01 0.06 -0.50 115.64 124.60 2a6x s THR 166 Ca 0.04 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.23 2a6x s THR 166 Cb -0.15 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2a6x s THR 166 CO 0.02 0.55 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.82 2a6x s TYR 167 N 0.16 2.49 -0.50 4.92 5.04 -0.55 -1.09 117.35 127.82 2a6x s TYR 167 Ca -0.10 -1.21 0.04 0.00 -2.44 0.00 0.00 57.07 53.36 2a6x s TYR 167 Cb -0.16 -1.71 0.17 0.00 0.35 0.00 0.00 41.96 40.61 2a6x s TYR 167 CO 0.06 -0.55 0.37 1.21 -1.34 0.00 0.00 175.55 175.30 2a6x s ASN 168 N 0.78 2.66 0.31 4.32 3.84 -0.01 -1.25 114.94 125.60 2a6x s ASN 168 Ca -0.09 -3.24 0.08 0.00 0.21 0.00 0.00 52.86 49.82 2a6x s ASN 168 Cb -0.16 -0.84 0.86 0.00 -0.55 0.00 0.00 41.25 40.57 2a6x s ASN 168 CO -0.00 -0.16 1.69 -0.65 -2.79 0.00 0.00 177.10 175.19 2a6x h PRO 169 N 5.70 0.38 -0.72 0.43 0.11 -1.79 -1.63 132.00 134.47 2a6x h PRO 169 Ca 0.20 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.37 2a6x h PRO 169 Cb 0.87 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.83 2a6x h PRO 169 CO 0.48 0.25 0.39 1.25 -0.21 0.00 0.00 178.00 180.16 2a6x h LEU 170 N 0.39 0.56 -4.93 2.35 5.85 -1.86 -2.32 115.31 115.34 2a6x h LEU 170 Ca 0.63 0.04 -0.58 0.00 0.84 0.00 0.00 57.88 58.81 2a6x h LEU 170 Cb 1.28 -0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 2a6x h LEU 170 CO -0.56 0.34 1.20 -0.67 -0.34 0.00 0.00 178.44 178.41 2a6x n ASP 171 N -4.79 7.06 -4.07 1.25 2.03 -0.67 -4.71 116.55 112.65 2a6x n ASP 171 Ca 0.10 -3.13 -0.27 0.00 0.52 0.00 0.00 54.79 52.01 2a6x n ASP 171 Cb 0.23 -1.30 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 2a6x n ASP 171 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2a6x n ASN 172 N 1.35 -0.13 -3.63 1.67 3.02 -1.00 -2.62 115.26 113.92 2a6x n ASN 172 Ca 0.54 -1.08 -0.24 0.00 -0.03 0.00 0.00 54.58 53.78 2a6x n ASN 172 Cb 0.45 -2.65 0.07 0.00 -0.61 0.00 0.00 39.78 37.04 2a6x n ASN 172 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2a6x n HIS 173 N -4.45 -2.68 -2.15 3.10 8.25 -0.89 -4.80 115.22 111.62 2a6x n HIS 173 Ca -0.29 0.99 -0.42 0.00 -0.26 0.00 0.00 57.72 57.73 2a6x n HIS 173 Cb 0.68 -4.88 -0.03 0.00 1.12 0.00 0.00 29.99 26.88 2a6x n HIS 173 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2a6x s LEU 174 N -7.16 4.35 -0.20 2.41 2.96 -1.05 -4.47 118.68 115.53 2a6x s LEU 174 Ca 0.50 2.29 -0.03 0.00 -0.22 0.00 0.00 54.13 56.67 2a6x s LEU 174 Cb -0.22 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 2a6x s LEU 174 CO 0.75 -0.71 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.77 2a6x s LEU 175 N 1.68 2.77 -0.02 -0.68 2.96 0.20 -0.83 118.68 124.76 2a6x s LEU 175 Ca 0.66 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2a6x s LEU 175 Cb -0.36 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 2a6x s LEU 175 CO 0.29 0.01 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.48 2a6x s LYS 176 N 1.29 0.99 -0.12 1.98 2.20 -0.25 -0.82 119.74 125.01 2a6x s LYS 176 Ca 0.03 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 2a6x s LYS 176 Cb -0.14 -0.94 0.01 0.00 -1.51 0.00 0.00 37.83 35.25 2a6x s LYS 176 CO -0.04 0.19 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.81 2a6x s LEU 177 N -0.06 1.81 -0.05 5.43 2.96 -0.39 -0.76 118.68 127.61 2a6x s LEU 177 Ca 0.01 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2a6x s LEU 177 Cb -0.06 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2a6x s LEU 177 CO 0.00 0.02 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.79 2a6x s GLN 178 N 1.02 2.50 -0.18 1.98 -0.21 0.08 -0.39 119.66 124.46 2a6x s GLN 178 Ca -0.05 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.61 2a6x s GLN 178 Cb -0.15 -2.34 0.03 0.00 1.00 0.00 0.00 33.01 31.55 2a6x s GLN 178 CO -0.03 0.58 -0.17 -1.64 -2.12 0.00 0.00 175.29 171.91 2a6x s MET 179 N -0.63 2.73 -1.45 2.91 -1.94 -0.09 -0.66 119.30 120.17 2a6x s MET 179 Ca 0.09 -0.84 -0.02 0.00 -1.71 0.00 0.00 55.69 53.21 2a6x s MET 179 Cb -0.11 -2.52 0.02 0.00 2.01 0.00 0.00 34.83 34.24 2a6x s MET 179 CO 0.01 -0.27 0.45 -0.25 -0.01 0.00 0.00 175.02 174.95 2a6x n ASP 180 N 4.63 -0.66 -1.75 3.03 10.43 0.11 -1.97 116.55 130.36 2a6x n ASP 180 Ca -0.19 -1.02 -0.15 0.00 2.57 0.00 0.00 54.79 56.00 2a6x n ASP 180 Cb 0.49 -2.96 -0.05 0.00 1.84 0.00 0.00 41.12 40.44 2a6x n ASP 180 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2a6x n ASN 181 N -2.94 -4.18 -4.56 -2.24 4.13 -1.26 -4.99 115.26 99.21 2a6x n ASN 181 Ca -0.26 0.30 -0.33 0.00 1.68 0.00 0.00 54.58 55.97 2a6x n ASN 181 Cb 0.66 -3.73 -0.11 0.00 -1.54 0.00 0.00 39.78 35.06 2a6x n ASN 181 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2a6x s ARG 182 N -3.83 2.57 -0.04 3.52 0.52 -0.83 -5.08 118.95 115.77 2a6x s ARG 182 Ca 0.00 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 2a6x s ARG 182 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2a6x s ARG 182 CO 0.00 0.62 1.21 0.08 0.02 0.00 0.00 175.30 177.23 2a6x s VAL 183 N -0.90 4.21 -0.16 3.52 1.01 -1.26 -0.92 120.40 125.90 2a6x s VAL 183 Ca 0.15 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 2a6x s VAL 183 Cb -0.11 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.13 2a6x s VAL 183 CO 0.04 0.01 0.25 0.00 0.00 0.00 0.00 175.10 175.40 2a6x s PHE 185 N -2.20 -0.17 -0.00 0.00 -0.12 -1.14 -4.45 117.98 109.90 2a6x s PHE 185 Ca -0.20 -0.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.52 2a6x s PHE 185 Cb 0.02 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.69 2a6x s PHE 185 CO 0.47 -0.75 -0.00 -0.65 -0.05 0.00 0.00 175.22 174.24 2a6x s GLN 186 N -3.83 0.02 0.07 1.99 -0.21 -1.26 -1.27 119.66 115.17 2a6x s GLN 186 Ca 0.05 0.00 -0.22 0.00 0.02 0.00 0.00 55.36 55.21 2a6x s GLN 186 Cb 0.01 -0.03 0.05 0.00 1.00 0.00 0.00 33.01 34.05 2a6x s GLN 186 CO -0.09 -0.00 0.52 -0.08 -2.12 0.00 0.00 175.29 173.52 2a6x s THR 187 N 0.04 0.03 -0.06 -0.19 -1.32 0.00 -5.01 115.64 109.14 2a6x s THR 187 Ca -0.00 -0.24 0.09 0.00 -1.21 0.00 0.00 61.69 60.33 2a6x s THR 187 Cb -0.01 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 2a6x s THR 187 CO -0.00 -0.13 1.06 0.54 -2.21 0.00 0.00 174.62 173.88 2a6x n ARG 188 N 0.26 2.12 0.08 7.08 1.74 -1.26 -0.62 116.66 126.04 2a6x n ARG 188 Ca -0.18 -1.98 0.12 0.00 -0.77 0.00 0.00 57.85 55.05 2a6x n ARG 188 Cb 0.61 -1.22 0.23 0.00 -1.02 0.00 0.00 32.46 31.07 2a6x n ARG 188 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2a6x h LYS 189 N 0.00 0.00 -5.33 5.56 1.57 -1.92 -3.45 116.57 113.00 2a6x h LYS 189 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2a6x h LYS 189 Cb 0.75 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.94 2a6x h LYS 189 CO 0.00 0.00 -0.27 0.54 -0.57 0.00 0.00 179.45 179.15 2a6x s VAL 190 N -3.15 5.23 -0.02 0.50 0.11 -1.26 -5.07 120.40 116.74 2a6x s VAL 190 Ca 0.07 0.58 0.07 0.00 -2.93 0.00 0.00 61.98 59.77 2a6x s VAL 190 Cb 0.13 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2a6x s VAL 190 CO 0.69 0.27 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.95 2a6x s LYS 191 N 1.30 1.91 0.58 1.54 3.01 -1.26 -4.88 119.74 121.93 2a6x s LYS 191 Ca 0.16 -0.84 0.08 0.00 -1.01 0.00 0.00 55.97 54.36 2a6x s LYS 191 Cb -0.14 -1.84 0.08 0.00 -1.01 0.00 0.00 37.83 34.91 2a6x s LYS 191 CO 0.07 0.51 0.65 1.19 0.51 0.00 0.00 175.35 178.28 2a6x n PHE 192 N 2.50 -1.52 -2.05 3.18 3.72 -1.26 -5.05 117.46 116.99 2a6x n PHE 192 Ca -0.16 -2.27 -0.42 0.00 -0.05 0.00 0.00 57.45 54.55 2a6x n PHE 192 Cb 0.52 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2a6x n PHE 192 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2a6x s MET 193 N -4.54 4.19 0.42 -1.08 -1.94 -1.26 -4.91 119.30 110.18 2a6x s MET 193 Ca 0.49 2.14 0.22 0.00 -1.71 0.00 0.00 55.69 56.84 2a6x s MET 193 Cb -0.04 -3.95 0.84 0.00 2.01 0.00 0.00 34.83 33.70 2a6x s MET 193 CO 0.31 -0.82 1.80 0.78 -0.01 0.00 0.00 175.02 177.08 2a6x h GLY 194 N 10.09 0.00 -3.72 -0.03 0.00 -2.01 -3.25 103.07 104.15 2a6x h GLY 194 Ca -0.38 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.64 2a6x h GLY 194 CO 0.95 0.00 -0.89 1.44 0.00 0.00 0.00 176.54 178.04 2a6x n SER 195 N -3.43 2.79 -3.99 0.19 7.64 -1.26 -4.94 113.62 110.62 2a6x n SER 195 Ca 0.00 -2.99 -0.15 0.00 1.01 0.00 0.00 58.87 56.74 2a6x n SER 195 Cb 0.45 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 2a6x n SER 195 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2a6x s SER 196 N -3.39 0.68 0.76 6.43 0.15 -1.23 -5.15 113.70 111.96 2a6x s SER 196 Ca 0.39 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.69 2a6x s SER 196 Cb 0.37 -0.04 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 2a6x s SER 196 CO -0.03 -0.01 1.12 -2.84 1.20 0.00 0.00 173.24 172.67 2a6x s PRO 197 N -0.54 2.17 -0.00 5.44 0.02 -1.26 -4.82 135.00 136.01 2a6x s PRO 197 Ca -0.02 1.37 -0.04 0.00 0.02 0.00 0.00 61.00 62.33 2a6x s PRO 197 Cb -0.04 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2a6x s PRO 197 CO -0.00 -1.74 0.22 -0.06 -0.33 0.00 0.00 177.00 175.09 2a6x s PHE 198 N -2.60 3.56 -0.19 6.54 0.08 0.58 -4.69 117.98 121.26 2a6x s PHE 198 Ca 0.65 0.44 -0.08 0.00 0.12 0.00 0.00 56.93 58.07 2a6x s PHE 198 Cb -0.20 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 2a6x s PHE 198 CO 0.51 0.63 0.07 1.03 -0.10 0.00 0.00 175.22 177.36 2a6x s ARG 199 N -1.87 3.98 -0.08 0.44 0.52 0.20 -0.86 118.95 121.27 2a6x s ARG 199 Ca 0.27 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2a6x s ARG 199 Cb -0.13 -3.24 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 2a6x s ARG 199 CO 0.17 0.25 -0.18 0.42 0.02 0.00 0.00 175.30 175.98 2a6x s ILE 200 N 0.45 2.66 0.19 1.52 1.01 -1.26 -1.02 121.20 124.75 2a6x s ILE 200 Ca 0.04 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 2a6x s ILE 200 Cb -0.12 -2.05 0.06 0.00 0.01 0.00 0.00 42.46 40.36 2a6x s ILE 200 CO 0.00 0.56 0.85 0.61 0.00 0.00 0.00 174.94 176.96 2a6x n GLY 201 N 2.98 0.77 3.13 6.18 0.00 -1.08 -1.06 105.19 116.12 2a6x n GLY 201 Ca -0.18 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2a6x n GLY 201 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a6x s THR 202 N -2.15 0.07 0.10 2.61 -1.32 -0.16 -0.98 115.64 113.81 2a6x s THR 202 Ca 0.19 -0.61 -0.11 0.00 -1.21 0.00 0.00 61.69 59.94 2a6x s THR 202 Cb -0.03 -0.47 0.01 0.00 -1.51 0.00 0.00 72.50 70.51 2a6x s THR 202 CO 0.06 -0.34 0.27 -0.94 -2.21 0.00 0.00 174.62 171.46 2a6x s SER 203 N -1.31 -0.01 0.13 8.08 1.04 -0.42 -0.80 113.70 120.41 2a6x s SER 203 Ca -0.14 -0.53 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 2a6x s SER 203 Cb -0.07 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2a6x s SER 203 CO 0.02 -0.77 0.38 0.00 0.98 0.00 0.00 173.24 173.84 2a6x s ALA 204 N -3.83 -0.73 -0.06 5.32 0.00 -0.29 -0.28 121.76 121.89 2a6x s ALA 204 Ca 0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 2a6x s ALA 204 Cb 0.04 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2a6x s ALA 204 CO -0.11 -0.65 0.16 -1.50 0.00 0.00 0.00 175.76 173.65 2a6x s ILE 205 N -3.84 0.01 0.00 0.00 2.07 -0.87 -1.88 121.20 116.69 2a6x s ILE 205 Ca 0.06 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 2a6x s ILE 205 Cb 0.02 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.37 2a6x s ILE 205 CO -0.09 -0.03 0.00 -0.46 -1.91 0.00 0.00 174.94 172.45 2a6x n ASN 206 N 2.89 1.98 0.00 4.50 0.23 -0.82 -1.15 115.26 122.88 2a6x n ASN 206 Ca -0.13 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 2a6x n ASN 206 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 2a6x n ASN 206 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2a6x n ASP 207 N -0.86 0.34 0.20 0.53 5.68 -1.26 -4.34 116.55 116.83 2a6x n ASP 207 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.32 2a6x n ASP 207 Cb 0.00 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.38 2a6x n ASP 207 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a6x h ALA 208 N 1.00 1.45 -2.36 2.12 0.00 -1.95 -1.88 119.26 117.64 2a6x h ALA 208 Ca 0.00 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 2a6x h ALA 208 Cb 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 17.89 2a6x h ALA 208 CO 0.00 0.40 0.30 -1.12 0.00 0.00 0.00 179.25 178.83 2a6x s SER 209 N -6.92 4.00 -0.46 0.00 0.01 -1.26 -4.86 113.70 104.21 2a6x s SER 209 Ca -0.03 2.03 0.03 0.00 1.31 0.00 0.00 55.95 59.29 2a6x s SER 209 Cb 0.15 -2.55 0.61 0.00 0.21 0.00 0.00 66.02 64.43 2a6x s SER 209 CO 0.71 -2.38 1.90 0.29 0.41 0.00 0.00 173.24 174.18 2a6x n LYS 210 N -3.54 2.26 -1.67 12.44 4.76 -1.26 -4.71 118.16 126.44 2a6x n LYS 210 Ca 0.11 -2.92 -0.47 0.00 -2.87 0.00 0.00 58.31 52.16 2a6x n LYS 210 Cb 0.52 -2.14 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 2a6x n LYS 210 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2a6x n GLU 211 N -1.03 2.15 -3.60 1.97 2.13 -1.26 -4.86 120.64 116.14 2a6x n GLU 211 Ca 0.58 0.78 -0.40 0.00 0.66 0.00 0.00 57.16 58.77 2a6x n GLU 211 Cb 1.47 -2.58 -0.10 0.00 0.27 0.00 0.00 31.44 30.50 2a6x n GLU 211 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2a6x s SER 212 N 2.17 5.66 -0.15 4.31 0.15 -0.04 -4.77 113.70 121.05 2a6x s SER 212 Ca 0.84 -1.38 -0.17 0.00 0.70 0.00 0.00 55.95 55.94 2a6x s SER 212 Cb -0.69 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2a6x s SER 212 CO 0.43 -0.50 0.44 -0.36 1.20 0.00 0.00 173.24 174.45 2a6x s PHE 213 N 1.46 3.47 0.02 3.44 0.40 -1.26 -1.12 117.98 124.39 2a6x s PHE 213 Ca 0.03 0.79 0.04 0.00 -0.60 0.00 0.00 56.93 57.19 2a6x s PHE 213 Cb -0.22 -2.53 -0.02 0.00 0.51 0.00 0.00 43.02 40.76 2a6x s PHE 213 CO 0.03 0.12 -0.13 -1.21 0.70 0.00 0.00 175.22 174.73 2a6x s GLU 214 N 0.83 0.91 -0.15 0.44 2.02 0.03 -0.63 118.70 122.16 2a6x s GLU 214 Ca 0.23 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.60 2a6x s GLU 214 Cb -0.15 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.20 2a6x s GLU 214 CO 0.09 0.23 -0.20 0.42 0.02 0.00 0.00 175.26 175.82 2a6x s ILE 215 N -0.68 2.24 -0.17 -1.63 -1.09 -0.02 -1.30 121.20 118.55 2a6x s ILE 215 Ca 0.02 -0.92 0.14 0.00 -2.23 0.00 0.00 60.65 57.66 2a6x s ILE 215 Cb -0.07 -1.91 -0.20 0.00 -1.58 0.00 0.00 42.46 38.70 2a6x s ILE 215 CO 0.01 0.54 0.04 0.18 -1.23 0.00 0.00 174.94 174.47 2a6x n LEU 216 N 4.09 0.22 -3.57 2.97 4.32 0.56 -1.09 117.00 124.51 2a6x n LEU 216 Ca -0.20 -0.01 -0.17 0.00 -0.02 0.00 0.00 56.01 55.62 2a6x n LEU 216 Cb 0.52 0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 42.57 2a6x n LEU 216 CO 0.27 0.44 0.41 -0.75 -1.22 0.00 0.00 177.39 176.54 2a6x s LYS 217 N -2.40 0.97 -0.09 3.23 2.20 -1.18 -4.64 119.74 117.83 2a6x s LYS 217 Ca -0.10 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.93 2a6x s LYS 217 Cb 0.05 0.46 0.05 0.00 -1.51 0.00 0.00 37.83 36.88 2a6x s LYS 217 CO 0.66 -0.25 0.20 1.41 -0.36 0.00 0.00 175.35 177.01 2a6x s MET 218 N -0.73 0.14 0.00 4.03 1.75 -1.26 -1.31 119.30 121.92 2a6x s MET 218 Ca -0.08 0.51 0.05 0.00 -1.25 0.00 0.00 55.69 54.92 2a6x s MET 218 Cb -0.02 -0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.49 2a6x s MET 218 CO 0.07 -0.20 -0.14 0.15 -0.65 0.00 0.00 175.02 174.25 2a6x s LYS 219 N 1.52 1.10 -0.11 4.11 1.02 -0.43 -1.39 119.74 125.56 2a6x s LYS 219 Ca -0.06 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.33 2a6x s LYS 219 Cb -0.11 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 2a6x s LYS 219 CO -0.07 0.29 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.41 2a6x s LEU 220 N -0.57 3.17 -0.00 3.17 0.20 -1.26 -0.54 118.68 122.85 2a6x s LEU 220 Ca 0.05 -0.08 0.05 0.00 0.69 0.00 0.00 54.13 54.83 2a6x s LEU 220 Cb -0.06 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 2a6x s LEU 220 CO 0.00 0.27 -0.14 -0.31 -0.29 0.00 0.00 176.35 175.88 2a6x s TYR 221 N -0.26 2.69 -0.24 5.38 2.02 0.59 -0.56 117.35 126.98 2a6x s TYR 221 Ca 0.04 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2a6x s TYR 221 Cb -0.13 -1.56 0.14 0.00 -0.40 0.00 0.00 41.96 40.01 2a6x s TYR 221 CO 0.02 0.26 1.10 -0.25 -1.57 0.00 0.00 175.55 175.11 2a6x n ASP 222 N 1.83 2.91 -0.78 2.29 10.43 -1.26 -1.75 116.55 130.23 2a6x n ASP 222 Ca -0.16 -2.29 0.00 0.00 2.57 0.00 0.00 54.79 54.91 2a6x n ASP 222 Cb 0.52 -0.56 0.00 0.00 1.84 0.00 0.00 41.12 42.92 2a6x n ASP 222 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2a6x n GLY 223 N 0.17 0.95 3.83 0.44 0.00 -1.10 -4.64 105.19 104.83 2a6x n GLY 223 Ca 0.11 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2a6x n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a6x s VAL 224 N -2.28 4.47 -0.33 1.61 1.01 -1.26 -2.51 120.40 121.11 2a6x s VAL 224 Ca 0.00 1.34 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 2a6x s VAL 224 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2a6x s VAL 224 CO 0.00 -0.21 0.41 -0.63 0.00 0.00 0.00 175.10 174.66 2a6x s ILE 225 N -2.04 5.13 0.00 2.22 1.01 -1.26 -5.01 121.20 121.25 2a6x s ILE 225 Ca 0.58 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2a6x s ILE 225 Cb -0.11 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2a6x s ILE 225 CO 0.16 -0.07 0.00 -0.62 0.00 0.00 0.00 174.94 174.41