#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1y s VAL 2 N 0.00 4.11 -0.05 6.31 1.01 -1.26 -4.05 120.40 126.48 2r1y s VAL 2 Ca 0.00 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.66 2r1y s VAL 2 Cb 0.00 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2r1y s VAL 2 CO 0.00 0.21 -0.10 -0.54 0.00 0.00 0.00 175.10 174.67 2r1y s LYS 3 N 0.33 1.28 -0.09 2.72 -0.14 -0.28 -4.99 119.74 118.58 2r1y s LYS 3 Ca 0.53 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.82 2r1y s LYS 3 Cb -0.28 -1.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.76 2r1y s LYS 3 CO 0.32 0.05 -0.10 -0.51 -0.76 0.00 0.00 175.35 174.34 2r1y s LEU 4 N 0.52 1.46 -0.18 3.17 1.43 -1.26 -1.53 118.68 122.28 2r1y s LEU 4 Ca -0.10 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2r1y s LEU 4 Cb -0.13 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.32 2r1y s LEU 4 CO 0.02 -0.03 0.04 -0.69 0.23 0.00 0.00 176.35 175.92 2r1y s VAL 5 N 1.09 0.41 0.43 -1.59 1.01 0.05 -4.08 120.40 117.73 2r1y s VAL 5 Ca -0.06 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 2r1y s VAL 5 Cb -0.14 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 2r1y s VAL 5 CO -0.01 -0.20 0.92 -1.61 0.00 0.00 0.00 175.10 174.20 2r1y s GLU 6 N 1.91 4.12 0.11 2.72 8.01 -1.26 -1.14 118.70 133.17 2r1y s GLU 6 Ca -0.00 1.00 -0.11 0.00 0.01 0.00 0.00 54.97 55.87 2r1y s GLU 6 Cb -0.17 -2.21 0.01 0.00 -4.31 0.00 0.00 34.13 27.45 2r1y s GLU 6 CO -0.08 -0.06 0.27 -1.12 0.01 0.00 0.00 175.26 174.28 2r1y s SER 7 N -2.43 0.00 0.00 -0.19 0.01 0.01 -4.80 113.70 106.30 2r1y s SER 7 Ca 0.60 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2r1y s SER 7 Cb -0.09 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2r1y s SER 7 CO 0.18 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2r1y n GLY 8 N -0.13 0.60 3.70 3.44 0.00 -1.26 -1.08 105.19 110.46 2r1y n GLY 8 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2r1y n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r1y s GLY 9 N -1.95 1.77 0.00 -0.02 0.00 -1.26 -4.81 107.32 101.05 2r1y s GLY 9 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2r1y s GLY 9 CO 0.00 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.67 2r1y n GLY 10 N -0.07 -0.45 3.77 0.20 0.00 -0.13 -4.89 105.19 103.62 2r1y n GLY 10 Ca 0.11 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 2r1y n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r1y s LEU 11 N 0.00 4.39 -0.00 0.99 2.96 -1.26 -1.34 118.68 124.42 2r1y s LEU 11 Ca 0.00 1.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.83 2r1y s LEU 11 Cb 0.00 -2.77 0.01 0.00 0.50 0.00 0.00 46.19 43.92 2r1y s LEU 11 CO 0.00 0.13 0.19 0.54 -1.32 0.00 0.00 176.35 175.89 2r1y s VAL 12 N -0.17 0.07 0.44 1.68 0.11 -0.11 -4.98 120.40 117.44 2r1y s VAL 12 Ca 0.28 -0.61 -0.14 0.00 -2.93 0.00 0.00 61.98 58.58 2r1y s VAL 12 Cb -0.17 -0.48 -0.08 0.00 -1.53 0.00 0.00 36.38 34.12 2r1y s VAL 12 CO 0.14 -0.33 0.86 -1.10 -3.33 0.00 0.00 175.10 171.34 2r1y s GLN 13 N -1.32 3.91 0.18 1.54 -0.21 -1.25 -1.13 119.66 121.37 2r1y s GLN 13 Ca -0.14 0.73 -0.33 0.00 0.02 0.00 0.00 55.36 55.64 2r1y s GLN 13 Cb -0.07 -2.28 -0.15 0.00 1.00 0.00 0.00 33.01 31.51 2r1y s GLN 13 CO 0.02 -0.10 1.31 0.45 -2.12 0.00 0.00 175.29 174.85 2r1y n SER 14 N -1.24 2.03 0.00 5.90 2.88 -1.26 -1.22 113.62 120.71 2r1y n SER 14 Ca 0.04 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2r1y n SER 14 Cb 0.54 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2r1y n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r1y n GLY 15 N 2.27 2.18 3.92 0.46 0.00 0.10 -4.94 105.19 109.19 2r1y n GLY 15 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2r1y n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r1y s GLY 16 N -1.99 1.79 0.24 -0.02 0.00 -0.35 -3.96 107.32 103.02 2r1y s GLY 16 Ca 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 44.72 43.59 2r1y s GLY 16 CO 0.00 -0.45 -0.21 -0.56 0.00 0.00 0.00 173.10 171.88 2r1y s SER 17 N -4.89 3.45 -0.19 1.64 0.01 -1.26 -1.49 113.70 110.97 2r1y s SER 17 Ca 0.75 -0.96 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 2r1y s SER 17 Cb -0.03 -0.27 0.05 0.00 0.21 0.00 0.00 66.02 65.98 2r1y s SER 17 CO 0.53 0.06 0.55 -0.22 0.41 0.00 0.00 173.24 174.57 2r1y s LEU 18 N -3.13 -0.09 -0.14 2.44 2.96 -0.40 -5.01 118.68 115.32 2r1y s LEU 18 Ca 0.25 1.05 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 2r1y s LEU 18 Cb -0.06 1.90 -0.00 0.00 0.50 0.00 0.00 46.19 48.52 2r1y s LEU 18 CO 0.12 -0.22 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.15 2r1y s ARG 19 N 0.15 3.16 0.11 1.98 3.52 -1.26 -0.13 118.95 126.49 2r1y s ARG 19 Ca -0.01 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 2r1y s ARG 19 Cb -0.04 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 2r1y s ARG 19 CO 0.01 0.07 0.27 -0.51 -0.81 0.00 0.00 175.30 174.33 2r1y s LEU 20 N 0.66 4.33 0.24 -0.88 1.43 0.67 -4.72 118.68 120.41 2r1y s LEU 20 Ca -0.09 0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 2r1y s LEU 20 Cb -0.16 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 2r1y s LEU 20 CO 0.02 0.10 -0.18 -0.94 0.23 0.00 0.00 176.35 175.58 2r1y s SER 21 N -2.79 3.17 -0.27 2.29 1.04 -0.24 -1.23 113.70 115.67 2r1y s SER 21 Ca 0.36 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 2r1y s SER 21 Cb -0.12 -0.23 0.11 0.00 0.10 0.00 0.00 66.02 65.88 2r1y s SER 21 CO 0.28 -0.04 0.19 0.00 0.98 0.00 0.00 173.24 174.65 2r1y s ALA 23 N 2.21 3.30 0.14 0.00 0.00 -0.29 -0.67 121.76 126.45 2r1y s ALA 23 Ca 0.08 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.59 2r1y s ALA 23 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2r1y s ALA 23 CO -0.31 0.04 -0.15 0.95 0.00 0.00 0.00 175.76 176.28 2r1y s THR 24 N -0.18 1.50 0.24 0.00 -4.23 -0.60 -0.77 115.64 111.60 2r1y s THR 24 Ca 0.43 -1.85 -0.20 0.00 -1.18 0.00 0.00 61.69 58.90 2r1y s THR 24 Cb -0.23 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 71.95 2r1y s THR 24 CO 0.28 -0.43 0.65 -0.94 -0.54 0.00 0.00 174.62 173.64 2r1y s SER 25 N -2.65 -0.31 0.00 3.99 1.04 -0.58 -4.81 113.70 110.38 2r1y s SER 25 Ca 0.13 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2r1y s SER 25 Cb -0.04 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2r1y s SER 25 CO 0.04 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.65 2r1y n GLY 26 N -0.42 0.75 3.41 7.32 0.00 -1.26 -1.12 105.19 113.87 2r1y n GLY 26 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2r1y n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r1y s PHE 27 N -2.37 -0.33 -0.78 1.61 -0.71 -1.26 -4.42 117.98 109.71 2r1y s PHE 27 Ca 0.00 0.05 -0.26 0.00 -1.04 0.00 0.00 56.93 55.69 2r1y s PHE 27 Cb 0.00 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 2r1y s PHE 27 CO 0.00 -0.81 1.65 0.99 -1.34 0.00 0.00 175.22 175.70 2r1y s THR 28 N -3.79 3.58 0.23 -4.49 2.01 -1.26 -4.86 115.64 107.04 2r1y s THR 28 Ca 0.03 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 2r1y s THR 28 Cb -0.00 -4.43 0.17 0.00 0.01 0.00 0.00 72.50 68.26 2r1y s THR 28 CO -0.11 -1.37 1.79 0.15 -0.69 0.00 0.00 174.62 174.40 2r1y h PHE 29 N 11.88 0.69 0.00 4.92 3.57 -1.96 -1.55 116.94 134.50 2r1y h PHE 29 Ca -0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2r1y h PHE 29 Cb 1.07 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2r1y h PHE 29 CO 1.15 0.28 0.00 0.25 -2.23 0.00 0.00 178.31 177.76 2r1y n THR 30 N -4.82 0.80 0.27 4.41 -2.24 -1.26 -1.92 114.28 109.51 2r1y n THR 30 Ca 0.11 0.18 0.16 0.00 -2.27 0.00 0.00 64.05 62.22 2r1y n THR 30 Cb 0.25 -1.11 0.55 0.00 -2.10 0.00 0.00 70.33 67.92 2r1y n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2r1y h ASP 31 N 0.00 0.00 -4.06 3.42 3.32 -1.69 -0.94 116.42 116.48 2r1y h ASP 31 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2r1y h ASP 31 Cb 0.41 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.72 2r1y h ASP 31 CO 0.00 0.00 -0.78 -0.31 -1.72 0.00 0.00 179.24 176.43 2r1y s TYR 32 N -3.54 2.68 0.66 4.55 2.02 -0.81 -4.48 117.35 118.42 2r1y s TYR 32 Ca 0.03 -0.17 -0.15 0.00 -0.37 0.00 0.00 57.07 56.40 2r1y s TYR 32 Cb 0.08 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 2r1y s TYR 32 CO 0.57 0.18 1.13 0.71 -1.57 0.00 0.00 175.55 176.57 2r1y s TYR 33 N -0.74 2.51 -0.04 2.71 1.51 0.48 -4.15 117.35 119.64 2r1y s TYR 33 Ca 0.12 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 57.76 2r1y s TYR 33 Cb -0.11 -3.24 0.01 0.00 -0.11 0.00 0.00 41.96 38.51 2r1y s TYR 33 CO 0.01 -1.86 -0.10 -1.64 -1.11 0.00 0.00 175.55 170.85 2r1y s MET 34 N -3.96 1.13 0.24 -0.62 -1.94 -0.54 -1.02 119.30 112.59 2r1y s MET 34 Ca 0.69 -0.32 0.08 0.00 -1.71 0.00 0.00 55.69 54.43 2r1y s MET 34 Cb -0.23 -1.02 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 2r1y s MET 34 CO 0.41 0.09 0.10 -1.12 -0.01 0.00 0.00 175.02 174.48 2r1y s SER 35 N 0.35 5.11 -0.08 3.03 0.01 -0.34 -1.42 113.70 120.36 2r1y s SER 35 Ca -0.06 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2r1y s SER 35 Cb -0.11 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.92 2r1y s SER 35 CO 0.01 -0.00 -0.14 0.26 0.41 0.00 0.00 173.24 173.78 2r1y s TRP 36 N -2.12 2.74 0.01 2.43 0.52 -0.54 -0.97 118.94 121.01 2r1y s TRP 36 Ca 0.32 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 56.12 2r1y s TRP 36 Cb -0.08 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 2r1y s TRP 36 CO 0.22 0.03 -0.10 0.08 0.02 0.00 0.00 176.95 177.20 2r1y s VAL 37 N -0.31 0.81 0.31 4.03 1.01 0.13 -1.06 120.40 125.33 2r1y s VAL 37 Ca 0.03 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2r1y s VAL 37 Cb -0.13 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 2r1y s VAL 37 CO 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.15 2r1y s ARG 38 N -0.66 1.67 -0.25 2.72 1.70 0.05 0.30 118.95 124.48 2r1y s ARG 38 Ca 0.01 -1.87 -0.02 0.00 -0.47 0.00 0.00 55.73 53.38 2r1y s ARG 38 Cb -0.06 -1.30 0.13 0.00 -0.57 0.00 0.00 34.95 33.16 2r1y s ARG 38 CO 0.00 0.02 0.34 -1.14 -1.08 0.00 0.00 175.30 173.44 2r1y s GLN 39 N -3.72 0.32 0.54 3.89 0.74 0.44 -0.48 119.66 121.39 2r1y s GLN 39 Ca 0.32 0.28 -0.22 0.00 0.05 0.00 0.00 55.36 55.79 2r1y s GLN 39 Cb 0.05 -0.62 -0.05 0.00 1.10 0.00 0.00 33.01 33.49 2r1y s GLN 39 CO 0.14 -0.78 1.31 -2.14 -0.55 0.00 0.00 175.29 173.27 2r1y s PRO 40 N 2.47 3.21 -0.27 1.67 0.02 -1.26 -1.02 135.00 139.81 2r1y s PRO 40 Ca 0.11 2.13 -0.42 0.00 0.02 0.00 0.00 61.00 62.83 2r1y s PRO 40 Cb -0.15 -2.24 -0.18 0.00 0.02 0.00 0.00 34.50 31.95 2r1y s PRO 40 CO -0.21 -1.10 1.51 -2.30 -0.33 0.00 0.00 177.00 174.57 2r1y n PRO 41 N -1.01 0.48 -0.93 5.54 -0.02 -1.26 -1.00 135.00 136.80 2r1y n PRO 41 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2r1y n PRO 41 Cb 0.46 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2r1y n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1y n GLY 42 N 3.41 0.41 3.86 -1.23 0.00 -1.26 -4.99 105.19 105.39 2r1y n GLY 42 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2r1y n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r1y s LYS 43 N -0.64 2.24 0.70 1.61 3.01 -0.17 -5.13 119.74 121.35 2r1y s LYS 43 Ca 0.00 -2.14 -0.11 0.00 -1.01 0.00 0.00 55.97 52.71 2r1y s LYS 43 Cb 0.00 -1.92 0.01 0.00 -1.01 0.00 0.00 37.83 34.91 2r1y s LYS 43 CO 0.00 -0.55 1.06 0.00 0.51 0.00 0.00 175.35 176.38 2r1y s ALA 44 N -2.81 2.66 0.45 5.17 0.00 -1.26 -4.66 121.76 121.31 2r1y s ALA 44 Ca 0.25 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.06 2r1y s ALA 44 Cb -0.01 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2r1y s ALA 44 CO 0.15 -1.25 1.22 -0.51 0.00 0.00 0.00 175.76 175.37 2r1y s LEU 45 N -5.57 4.07 -0.10 0.00 1.43 -1.26 -4.35 118.68 112.90 2r1y s LEU 45 Ca 0.58 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 56.11 2r1y s LEU 45 Cb -0.14 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 41.98 2r1y s LEU 45 CO 0.55 -0.94 -0.00 -0.70 0.23 0.00 0.00 176.35 175.49 2r1y s GLU 46 N -2.55 0.72 0.10 1.70 2.12 0.36 -4.98 118.70 116.17 2r1y s GLU 46 Ca 0.62 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.61 2r1y s GLU 46 Cb -0.32 -1.26 -0.07 0.00 0.26 0.00 0.00 34.13 32.75 2r1y s GLU 46 CO 0.40 -0.36 1.21 -0.46 -0.54 0.00 0.00 175.26 175.50 2r1y s TRP 47 N 1.92 3.43 -0.19 5.30 -0.00 -1.26 -0.77 118.94 127.37 2r1y s TRP 47 Ca 0.04 1.32 0.08 0.00 -0.00 0.00 0.00 56.10 57.54 2r1y s TRP 47 Cb -0.13 -3.43 -0.18 0.00 -0.00 0.00 0.00 33.47 29.73 2r1y s TRP 47 CO -0.06 -1.31 -0.07 1.28 -0.00 0.00 0.00 176.95 176.79 2r1y n LEU 48 N 3.49 1.54 0.00 5.86 4.77 -0.23 -4.64 117.00 127.79 2r1y n LEU 48 Ca 0.08 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2r1y n LEU 48 Cb 0.46 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2r1y n LEU 48 CO 0.56 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 2r1y n GLY 49 N 2.21 1.55 3.15 -0.72 0.00 -1.22 -0.73 105.19 109.43 2r1y n GLY 49 Ca -0.33 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 2r1y n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r1y s PHE 50 N -2.00 0.85 -0.08 1.61 -0.12 -0.41 -1.47 117.98 116.36 2r1y s PHE 50 Ca 0.00 -1.17 0.04 0.00 -0.05 0.00 0.00 56.93 55.75 2r1y s PHE 50 Cb 0.00 -0.50 0.00 0.00 -0.63 0.00 0.00 43.02 41.89 2r1y s PHE 50 CO 0.00 -0.44 -0.20 -1.50 -0.05 0.00 0.00 175.22 173.03 2r1y s ILE 51 N -3.96 1.74 1.01 -4.49 2.07 -0.51 -1.49 121.20 115.58 2r1y s ILE 51 Ca 0.21 -0.85 -0.16 0.00 -1.41 0.00 0.00 60.65 58.43 2r1y s ILE 51 Cb 0.07 -1.51 0.21 0.00 0.13 0.00 0.00 42.46 41.37 2r1y s ILE 51 CO -0.00 0.49 1.26 -0.13 -1.91 0.00 0.00 174.94 174.65 2r1y s ARG 52 N 0.28 0.30 0.73 3.50 0.52 0.88 -1.46 118.95 123.71 2r1y s ARG 52 Ca -0.13 -0.28 -0.06 0.00 -0.52 0.00 0.00 55.73 54.74 2r1y s ARG 52 Cb -0.16 -1.79 0.16 0.00 0.52 0.00 0.00 34.95 33.68 2r1y s ARG 52 CO 0.06 -2.66 1.00 0.27 0.02 0.00 0.00 175.30 173.98 2r1y n ASN 52 N -3.97 0.70 -0.24 0.23 0.23 -1.26 -4.09 115.26 106.86 2r1y n ASN 52 Ca 0.14 -1.74 -0.05 0.00 -0.53 0.00 0.00 54.58 52.39 2r1y n ASN 52 Cb 0.59 -0.71 0.05 0.00 -2.08 0.00 0.00 39.78 37.64 2r1y n ASN 52 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2r1y h LYS 52 N 0.00 0.91 -0.12 -3.83 3.64 -1.48 -1.48 116.57 114.21 2r1y h LYS 52 Ca -0.33 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2r1y h LYS 52 Cb 1.05 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2r1y h LYS 52 CO 0.29 0.63 0.11 0.00 -2.27 0.00 0.00 179.45 178.21 2r1y h ALA 52 N 1.23 1.85 -0.41 5.00 0.00 -1.93 -0.70 119.26 124.30 2r1y h ALA 52 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2r1y h ALA 52 Cb -0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2r1y h ALA 52 CO -0.05 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.11 2r1y n ASN 52 N -4.07 4.61 -0.32 0.00 3.02 -0.71 -4.96 115.26 112.83 2r1y n ASN 52 Ca 0.00 -2.92 -0.04 0.00 -0.03 0.00 0.00 54.58 51.59 2r1y n ASN 52 Cb 0.23 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 2r1y n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r1y n GLY 52 N 0.05 0.69 2.93 7.41 0.00 -0.27 -3.44 105.19 112.57 2r1y n GLY 52 Ca 0.24 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 2r1y n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r1y n TYR 53 N -2.79 -1.69 -1.98 1.61 4.01 -0.64 -4.95 117.16 110.74 2r1y n TYR 53 Ca -0.04 0.34 -0.32 0.00 -0.16 0.00 0.00 57.90 57.71 2r1y n TYR 53 Cb 0.18 -3.60 0.01 0.00 -0.31 0.00 0.00 39.34 35.62 2r1y n TYR 53 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2r1y s THR 54 N -2.97 4.03 0.11 -0.72 -4.23 -1.22 -4.44 115.64 106.19 2r1y s THR 54 Ca 0.24 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.68 2r1y s THR 54 Cb -0.11 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 2r1y s THR 54 CO 0.29 -0.65 -0.05 0.42 -0.54 0.00 0.00 174.62 174.09 2r1y s THR 55 N -2.66 3.65 0.07 3.99 -4.23 -1.26 -0.08 115.64 115.11 2r1y s THR 55 Ca 0.61 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 2r1y s THR 55 Cb -0.14 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 2r1y s THR 55 CO 0.41 0.08 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.90 2r1y s GLU 56 N -2.35 0.65 0.04 3.99 0.41 -0.55 -5.00 118.70 115.89 2r1y s GLU 56 Ca 0.24 -1.06 0.01 0.00 -0.41 0.00 0.00 54.97 53.75 2r1y s GLU 56 Cb -0.11 -0.14 -0.02 0.00 -1.78 0.00 0.00 34.13 32.07 2r1y s GLU 56 CO 0.16 -0.01 -0.06 0.71 -0.49 0.00 0.00 175.26 175.57 2r1y s TYR 57 N -2.73 0.53 0.43 1.61 2.02 -1.26 -1.29 117.35 116.66 2r1y s TYR 57 Ca 0.01 -0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 55.88 2r1y s TYR 57 Cb -0.01 -0.33 -0.09 0.00 -0.40 0.00 0.00 41.96 41.13 2r1y s TYR 57 CO -0.04 -0.15 1.41 -1.54 -1.57 0.00 0.00 175.55 173.66 2r1y s SER 58 N -1.74 6.01 0.55 2.29 1.04 0.09 -4.79 113.70 117.15 2r1y s SER 58 Ca -0.09 2.87 0.34 0.00 0.48 0.00 0.00 55.95 59.55 2r1y s SER 58 Cb -0.08 -2.65 1.51 0.00 0.10 0.00 0.00 66.02 64.90 2r1y s SER 58 CO -0.01 -1.08 1.82 -0.65 0.98 0.00 0.00 173.24 174.30 2r1y h PRO 59 N 2.46 0.00 0.00 4.02 0.11 -1.95 -0.68 132.00 135.96 2r1y h PRO 59 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2r1y h PRO 59 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2r1y h PRO 59 CO 0.62 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 179.04 2r1y h SER 60 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.28 113.55 110.92 2r1y h SER 60 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2r1y h SER 60 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2r1y h SER 60 CO -0.01 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 2r1y n VAL 61 N -3.47 0.00 -1.64 0.95 0.24 -0.79 -5.04 118.33 108.58 2r1y n VAL 61 Ca -0.03 -0.08 -0.48 0.00 -2.04 0.00 0.00 64.34 61.71 2r1y n VAL 61 Cb 0.12 1.27 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 2r1y n VAL 61 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2r1y n LYS 62 N -0.11 1.74 0.00 7.34 4.81 -0.33 -1.18 118.16 130.42 2r1y n LYS 62 Ca 0.00 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 2r1y n LYS 62 Cb 0.07 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 32.80 2r1y n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2r1y n GLY 63 N 2.89 2.34 0.01 3.14 0.00 -1.26 -4.80 105.19 107.50 2r1y n GLY 63 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2r1y n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r1y n ARG 64 N -2.00 1.86 -4.35 1.61 0.63 -0.33 -5.03 116.66 109.06 2r1y n ARG 64 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2r1y n ARG 64 Cb 0.00 -1.03 -0.10 0.00 0.45 0.00 0.00 32.46 31.79 2r1y n ARG 64 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2r1y s PHE 65 N -2.03 2.97 -0.06 -0.14 0.40 -0.62 -2.23 117.98 116.27 2r1y s PHE 65 Ca -0.01 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 2r1y s PHE 65 Cb 0.00 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2r1y s PHE 65 CO 0.04 0.42 -0.08 0.99 0.70 0.00 0.00 175.22 177.29 2r1y s THR 66 N -1.06 0.81 -0.09 0.64 2.01 0.17 -4.80 115.64 113.32 2r1y s THR 66 Ca 0.19 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 2r1y s THR 66 Cb -0.11 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2r1y s THR 66 CO 0.10 0.29 0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 2r1y s ILE 67 N 0.87 5.02 0.24 1.82 1.01 -1.26 -0.08 121.20 128.82 2r1y s ILE 67 Ca -0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 2r1y s ILE 67 Cb -0.15 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2r1y s ILE 67 CO 0.01 0.57 0.31 -0.94 0.00 0.00 0.00 174.94 174.90 2r1y s SER 68 N -1.10 0.16 -0.03 3.58 1.04 -0.94 -4.98 113.70 111.42 2r1y s SER 68 Ca 0.16 -1.21 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 2r1y s SER 68 Cb -0.12 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2r1y s SER 68 CO 0.05 -1.02 0.24 0.00 0.98 0.00 0.00 173.24 173.50 2r1y s ARG 69 N -3.98 0.50 -0.40 4.02 1.70 -1.26 -0.72 118.95 118.80 2r1y s ARG 69 Ca 0.31 -0.09 -0.07 0.00 -0.47 0.00 0.00 55.73 55.41 2r1y s ARG 69 Cb 0.03 0.22 0.08 0.00 -0.57 0.00 0.00 34.95 34.71 2r1y s ARG 69 CO 0.12 -0.12 0.22 0.34 -1.08 0.00 0.00 175.30 174.78 2r1y s ASP 70 N -0.90 5.49 0.04 -2.89 3.68 0.36 -4.97 116.67 117.47 2r1y s ASP 70 Ca -0.10 -1.55 0.27 0.00 2.13 0.00 0.00 52.55 53.30 2r1y s ASP 70 Cb -0.05 -1.93 1.09 0.00 -1.45 0.00 0.00 42.92 40.58 2r1y s ASP 70 CO 0.02 -0.50 1.84 0.59 0.13 0.00 0.00 175.17 177.25 2r1y n ASN 71 N 4.83 0.15 0.10 -0.34 5.03 -1.26 -0.61 115.26 123.17 2r1y n ASN 71 Ca -0.09 0.52 -0.17 0.00 0.87 0.00 0.00 54.58 55.70 2r1y n ASN 71 Cb 0.43 -0.56 -0.14 0.00 -1.02 0.00 0.00 39.78 38.49 2r1y n ASN 71 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2r1y h SER 72 N 0.00 0.47 -0.01 6.41 0.02 -1.97 -3.38 113.55 115.10 2r1y h SER 72 Ca 0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2r1y h SER 72 Cb 0.50 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2r1y h SER 72 CO 0.00 1.41 -0.21 0.00 -1.14 0.00 0.00 176.83 176.90 2r1y n GLN 73 N -3.55 1.89 -3.40 3.45 6.02 -1.18 -5.02 117.38 115.60 2r1y n GLN 73 Ca -0.10 -0.68 -0.18 0.00 -0.01 0.00 0.00 57.00 56.02 2r1y n GLN 73 Cb 1.04 -1.12 0.08 0.00 1.02 0.00 0.00 30.24 31.26 2r1y n GLN 73 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2r1y n SER 74 N -0.16 -3.23 -4.40 1.08 7.64 0.22 -4.75 113.62 110.03 2r1y n SER 74 Ca 0.05 -0.56 -0.33 0.00 1.01 0.00 0.00 58.87 59.04 2r1y n SER 74 Cb 0.24 -4.83 -0.14 0.00 -1.01 0.00 0.00 64.21 58.47 2r1y n SER 74 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2r1y s ILE 75 N -3.33 2.88 -0.04 0.44 1.01 -0.92 -1.56 121.20 119.69 2r1y s ILE 75 Ca 0.16 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2r1y s ILE 75 Cb -0.07 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2r1y s ILE 75 CO 0.69 0.56 0.06 -0.22 0.00 0.00 0.00 174.94 176.03 2r1y s LEU 76 N -0.22 3.82 0.11 2.97 2.96 0.16 -0.49 118.68 127.99 2r1y s LEU 76 Ca 0.00 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.16 2r1y s LEU 76 Cb -0.13 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2r1y s LEU 76 CO 0.03 0.32 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.86 2r1y s TYR 77 N -1.08 1.81 -0.17 5.38 2.02 0.10 0.05 117.35 125.46 2r1y s TYR 77 Ca 0.19 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2r1y s TYR 77 Cb -0.12 -0.98 0.05 0.00 -0.40 0.00 0.00 41.96 40.51 2r1y s TYR 77 CO 0.09 0.22 0.00 -1.17 -1.57 0.00 0.00 175.55 173.12 2r1y s LEU 78 N -1.96 1.32 -0.20 -1.29 2.96 -0.36 -2.21 118.68 116.92 2r1y s LEU 78 Ca 0.07 -0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 53.09 2r1y s LEU 78 Cb -0.10 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 2r1y s LEU 78 CO 0.04 -0.26 0.49 -1.58 -1.32 0.00 0.00 176.35 173.73 2r1y s GLN 79 N 1.78 4.18 -0.11 1.98 2.00 0.89 -0.24 119.66 130.14 2r1y s GLN 79 Ca -0.00 0.36 0.02 0.00 -2.00 0.00 0.00 55.36 53.74 2r1y s GLN 79 Cb -0.16 -3.56 -0.01 0.00 0.80 0.00 0.00 33.01 30.08 2r1y s GLN 79 CO -0.07 -0.13 -0.17 -1.64 -0.50 0.00 0.00 175.29 172.77 2r1y s MET 80 N 1.59 3.17 0.30 1.67 -1.94 0.82 -0.66 119.30 124.26 2r1y s MET 80 Ca 0.23 -0.76 0.10 0.00 -1.71 0.00 0.00 55.69 53.55 2r1y s MET 80 Cb -0.15 -2.48 -0.06 0.00 2.01 0.00 0.00 34.83 34.15 2r1y s MET 80 CO 0.09 0.24 -0.13 -0.80 -0.01 0.00 0.00 175.02 174.41 2r1y s ASN 81 N 0.24 3.41 -1.42 3.03 0.01 -0.95 -1.27 114.94 117.98 2r1y s ASN 81 Ca -0.12 -1.12 -0.06 0.00 -0.71 0.00 0.00 52.86 50.86 2r1y s ASN 81 Cb -0.16 -0.28 0.01 0.00 0.41 0.00 0.00 41.25 41.22 2r1y s ASN 81 CO 0.06 -0.14 0.30 0.41 -1.51 0.00 0.00 177.10 176.22 2r1y n THR 82 N -0.66 -2.35 -1.99 1.60 -1.04 -1.08 -4.85 114.28 103.92 2r1y n THR 82 Ca -0.05 -0.55 -0.40 0.00 -2.04 0.00 0.00 64.05 61.01 2r1y n THR 82 Cb 0.62 -2.03 -0.00 0.00 -1.82 0.00 0.00 70.33 67.10 2r1y n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2r1y s LEU 82 N -7.17 4.27 0.30 -4.42 1.43 -0.56 -4.66 118.68 107.88 2r1y s LEU 82 Ca 0.09 2.78 0.03 0.00 -1.03 0.00 0.00 54.13 56.00 2r1y s LEU 82 Cb -0.05 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 2r1y s LEU 82 CO 0.94 -0.82 0.05 -0.13 0.23 0.00 0.00 176.35 176.62 2r1y s ARG 83 N -2.13 1.57 0.35 1.70 1.81 -1.26 0.03 118.95 121.01 2r1y s ARG 83 Ca 0.55 -1.85 0.14 0.00 -1.72 0.00 0.00 55.73 52.84 2r1y s ARG 83 Cb -0.41 -0.74 1.00 0.00 -0.45 0.00 0.00 34.95 34.35 2r1y s ARG 83 CO 0.54 -0.19 1.73 0.00 -0.68 0.00 0.00 175.30 176.70 2r1y h ALA 84 N 2.21 2.00 0.00 2.13 0.00 -1.97 0.11 119.26 123.74 2r1y h ALA 84 Ca -0.40 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2r1y h ALA 84 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2r1y h ALA 84 CO 0.67 -0.47 0.00 -0.85 0.00 0.00 0.00 179.25 178.61 2r1y n GLU 85 N -4.80 0.17 0.00 0.00 0.00 -1.26 -1.31 120.64 113.44 2r1y n GLU 85 Ca 0.27 0.53 0.14 0.00 0.00 0.00 0.00 57.16 58.09 2r1y n GLU 85 Cb 0.84 -1.92 0.50 0.00 0.00 0.00 0.00 31.44 30.86 2r1y n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2r1y n ASP 86 N -2.26 0.61 -4.68 -1.84 10.43 0.37 -4.84 116.55 114.35 2r1y n ASP 86 Ca 0.00 -0.57 -0.42 0.00 2.57 0.00 0.00 54.79 56.38 2r1y n ASP 86 Cb 0.14 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.07 2r1y n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2r1y s SER 87 N -2.57 6.65 -0.23 -2.24 0.01 -0.43 -4.88 113.70 110.02 2r1y s SER 87 Ca 0.25 2.35 -0.36 0.00 1.31 0.00 0.00 55.95 59.49 2r1y s SER 87 Cb 0.19 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 64.02 2r1y s SER 87 CO 0.52 -0.89 1.30 0.00 0.41 0.00 0.00 173.24 174.58 2r1y s ALA 88 N 3.27 -2.16 0.02 1.44 0.00 -0.56 -4.40 121.76 119.36 2r1y s ALA 88 Ca 0.73 1.68 -0.28 0.00 0.00 0.00 0.00 51.96 54.09 2r1y s ALA 88 Cb -0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2r1y s ALA 88 CO 0.31 -0.61 0.89 0.99 0.00 0.00 0.00 175.76 177.34 2r1y s THR 89 N -2.22 4.80 -0.21 0.00 2.01 -0.19 -0.62 115.64 119.22 2r1y s THR 89 Ca 0.11 1.89 -0.05 0.00 0.31 0.00 0.00 61.69 63.95 2r1y s THR 89 Cb -0.00 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2r1y s THR 89 CO -0.04 0.24 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.82 2r1y s TYR 90 N 0.60 3.02 -0.05 4.92 1.51 0.12 -0.42 117.35 127.05 2r1y s TYR 90 Ca 0.46 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 2r1y s TYR 90 Cb -0.21 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2r1y s TYR 90 CO 0.26 -0.31 -0.10 0.71 -1.11 0.00 0.00 175.55 175.00 2r1y s TYR 91 N 1.12 2.83 0.16 2.71 2.02 0.15 -1.35 117.35 124.99 2r1y s TYR 91 Ca 0.02 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2r1y s TYR 91 Cb -0.14 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2r1y s TYR 91 CO 0.01 0.28 0.36 0.00 -1.57 0.00 0.00 175.55 174.63 2r1y s ALA 93 N -1.73 -0.13 0.21 0.00 0.00 -0.14 -1.60 121.76 118.36 2r1y s ALA 93 Ca 0.39 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 2r1y s ALA 93 Cb -0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 2r1y s ALA 93 CO 0.27 -0.06 1.35 0.50 0.00 0.00 0.00 175.76 177.83 2r1y s ARG 94 N 0.33 4.35 0.00 0.00 3.52 -0.36 -1.20 118.95 125.60 2r1y s ARG 94 Ca -0.02 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 2r1y s ARG 94 Cb -0.04 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2r1y s ARG 94 CO -0.01 -0.31 0.00 -3.47 -0.81 0.00 0.00 175.30 170.69 2r1y n ASP 95 N 2.66 0.00 -4.76 -2.12 4.64 -0.19 -2.79 116.55 113.99 2r1y n ASP 95 Ca 0.07 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.10 2r1y n ASP 95 Cb 0.42 0.00 0.03 0.00 -1.04 0.00 0.00 41.12 40.53 2r1y n ASP 95 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 2r1y s HIS 96 N 2.46 2.42 -0.08 -0.67 5.04 -1.26 -4.46 115.29 118.74 2r1y s HIS 96 Ca 0.00 1.40 0.08 0.00 -1.54 0.00 0.00 55.06 55.00 2r1y s HIS 96 Cb 0.00 -3.72 0.14 0.00 0.04 0.00 0.00 32.58 29.03 2r1y s HIS 96 CO 0.00 -2.61 1.08 -0.40 -2.34 0.00 0.00 174.74 170.46 2r1y n ASP 97 N -0.84 2.21 0.00 9.88 5.75 -1.26 -0.39 116.55 131.90 2r1y n ASP 97 Ca 0.09 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 2r1y n ASP 97 Cb 0.45 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2r1y n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r1y n GLY 98 N -0.86 1.11 1.02 6.12 0.00 -1.26 -4.85 105.19 106.47 2r1y n GLY 98 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2r1y n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r1y n TYR 99 N -2.00 0.00 -2.59 1.61 4.02 -1.26 -5.09 117.16 111.85 2r1y n TYR 99 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.50 2r1y n TYR 99 Cb 0.00 0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 2r1y n TYR 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2r1y s TYR 100 N -0.98 3.62 -0.55 -0.72 2.02 -1.26 -5.02 117.35 114.46 2r1y s TYR 100 Ca 0.00 1.75 -0.12 0.00 -0.37 0.00 0.00 57.07 58.33 2r1y s TYR 100 Cb 0.00 -3.14 0.14 0.00 -0.40 0.00 0.00 41.96 38.56 2r1y s TYR 100 CO 0.00 -0.25 0.45 -1.21 -1.57 0.00 0.00 175.55 172.97 2r1y s GLU 100 N -1.68 2.79 -0.24 -0.62 0.41 -1.26 -4.23 118.70 113.87 2r1y s GLU 100 Ca 0.47 -1.88 -0.32 0.00 -0.41 0.00 0.00 54.97 52.83 2r1y s GLU 100 Cb -0.27 -4.10 0.16 0.00 -1.78 0.00 0.00 34.13 28.14 2r1y s GLU 100 CO 0.34 -1.25 1.26 -0.98 -0.49 0.00 0.00 175.26 174.14 2r1y s ARG 100 N 1.21 0.21 -0.54 1.61 1.70 -1.26 -5.09 118.95 116.80 2r1y s ARG 100 Ca 0.07 -0.01 -0.12 0.00 -0.47 0.00 0.00 55.73 55.20 2r1y s ARG 100 Cb -0.25 0.10 0.13 0.00 -0.57 0.00 0.00 34.95 34.36 2r1y s ARG 100 CO -0.01 -0.08 0.45 -0.06 -1.08 0.00 0.00 175.30 174.52 2r1y s PHE 100 N -1.60 3.39 0.24 5.89 0.40 -1.26 -4.21 117.98 120.83 2r1y s PHE 100 Ca 0.08 -1.68 -0.02 0.00 -0.60 0.00 0.00 56.93 54.70 2r1y s PHE 100 Cb -0.01 -3.64 0.26 0.00 0.51 0.00 0.00 43.02 40.15 2r1y s PHE 100 CO -0.05 -1.00 1.68 0.77 0.70 0.00 0.00 175.22 177.32 2r1y h SER 100 N 8.51 0.72 -4.54 1.36 0.02 -1.83 -3.46 113.55 114.34 2r1y h SER 100 Ca -0.21 -0.24 -0.21 0.00 -0.84 0.00 0.00 61.79 60.29 2r1y h SER 100 Cb 1.08 -0.20 -0.23 0.00 0.14 0.00 0.00 62.40 63.19 2r1y h SER 100 CO 0.92 0.90 -0.71 -0.31 -1.14 0.00 0.00 176.83 176.48 2r1y s TYR 100 N -4.67 0.28 0.05 3.45 2.02 -1.26 -5.02 117.35 112.19 2r1y s TYR 100 Ca -0.09 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2r1y s TYR 100 Cb 0.14 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.49 2r1y s TYR 100 CO 0.82 -0.11 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.99 2r1y s TRP 101 N -0.97 1.04 1.12 2.71 0.52 -1.26 -1.22 118.94 120.88 2r1y s TRP 101 Ca -0.10 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.44 2r1y s TRP 101 Cb -0.07 -0.61 0.27 0.00 -1.15 0.00 0.00 33.47 31.91 2r1y s TRP 101 CO -0.00 0.01 1.17 0.41 0.02 0.00 0.00 176.95 178.56 2r1y n GLY 102 N 1.71 -2.28 0.13 0.98 0.00 -0.63 -4.76 105.19 100.35 2r1y n GLY 102 Ca -0.20 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.37 2r1y n GLY 102 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2r1y h GLN 103 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.47 115.11 111.33 2r1y h GLN 103 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 2r1y h GLN 103 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 2r1y h GLN 103 CO 0.28 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.52 2r1y n GLY 104 N 1.21 -0.43 3.06 0.06 0.00 -1.26 -5.04 105.19 102.78 2r1y n GLY 104 Ca 0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 2r1y n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2r1y s THR 105 N -3.02 1.23 -0.16 2.61 -1.32 -0.45 -4.85 115.64 109.67 2r1y s THR 105 Ca 0.00 -0.56 -0.20 0.00 -1.21 0.00 0.00 61.69 59.71 2r1y s THR 105 Cb 0.00 -1.09 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2r1y s THR 105 CO 0.00 0.37 0.59 -0.22 -2.21 0.00 0.00 174.62 173.15 2r1y s LEU 106 N 0.41 4.20 -0.15 9.08 2.96 -1.26 -0.70 118.68 133.21 2r1y s LEU 106 Ca -0.10 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2r1y s LEU 106 Cb -0.14 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 2r1y s LEU 106 CO 0.03 -0.18 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.16 2r1y s VAL 107 N 1.45 3.97 -0.15 1.68 1.01 0.21 -0.95 120.40 127.62 2r1y s VAL 107 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2r1y s VAL 107 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.51 2r1y s VAL 107 CO 0.11 0.50 -0.14 -0.89 0.00 0.00 0.00 175.10 174.68 2r1y s THR 108 N 0.26 1.60 -0.35 3.92 2.01 -0.45 -1.50 115.64 121.13 2r1y s THR 108 Ca -0.02 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 2r1y s THR 108 Cb -0.14 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 2r1y s THR 108 CO 0.03 0.45 0.22 -0.69 -0.69 0.00 0.00 174.62 173.94 2r1y s VAL 109 N 1.47 5.02 -0.05 3.82 1.01 -1.26 -0.93 120.40 129.48 2r1y s VAL 109 Ca 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2r1y s VAL 109 Cb -0.13 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.72 2r1y s VAL 109 CO -0.11 -0.06 0.86 -0.55 0.00 0.00 0.00 175.10 175.24 2r1y s SER 110 N 1.67 -0.44 0.13 3.32 0.15 -0.28 -4.56 113.70 113.68 2r1y s SER 110 Ca 0.05 0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.21 2r1y s SER 110 Cb -0.18 0.41 0.40 0.00 -1.71 0.00 0.00 66.02 64.94 2r1y s SER 110 CO 0.09 -0.56 1.38 0.00 1.20 0.00 0.00 173.24 175.35 2r1y n ALA 111 N 0.29 2.85 -1.70 5.45 0.00 -1.26 -3.96 120.51 122.17 2r1y n ALA 111 Ca -0.12 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 2r1y n ALA 111 Cb 0.60 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.89 2r1y n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r1y s ALA 112 N -3.16 2.45 0.52 0.00 0.00 -1.26 -5.01 121.76 115.30 2r1y s ALA 112 Ca 0.07 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2r1y s ALA 112 Cb 0.13 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2r1y s ALA 112 CO 0.71 -1.36 0.84 0.15 0.00 0.00 0.00 175.76 176.09 2r1y s LYS 113 N -3.42 3.38 0.09 0.00 1.02 -1.26 -5.02 119.74 114.53 2r1y s LYS 113 Ca 0.78 0.19 -0.31 0.00 0.02 0.00 0.00 55.97 56.65 2r1y s LYS 113 Cb -0.32 -2.32 -0.07 0.00 -0.52 0.00 0.00 37.83 34.59 2r1y s LYS 113 CO 0.36 -0.37 1.39 0.99 -0.92 0.00 0.00 175.35 176.81 2r1y s THR 114 N -2.84 3.42 -0.11 2.17 2.01 -1.26 -4.70 115.64 114.33 2r1y s THR 114 Ca 0.50 0.98 -0.00 0.00 0.31 0.00 0.00 61.69 63.48 2r1y s THR 114 Cb -0.10 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2r1y s THR 114 CO 0.46 0.06 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.48 2r1y s THR 115 N 1.39 0.97 0.55 -0.82 2.01 0.42 -4.95 115.64 115.22 2r1y s THR 115 Ca 0.64 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 2r1y s THR 115 Cb -0.35 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 2r1y s THR 115 CO 0.30 0.36 1.09 -2.16 -0.69 0.00 0.00 174.62 173.51 2r1y s PRO 116 N 1.68 3.39 0.67 4.92 0.04 -1.26 -1.07 135.00 143.37 2r1y s PRO 116 Ca 0.04 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.39 2r1y s PRO 116 Cb -0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2r1y s PRO 116 CO -0.07 -0.79 1.10 -1.25 0.04 0.00 0.00 177.00 176.03 2r1y s PRO 117 N -3.50 2.79 -0.03 0.56 0.04 -1.26 -4.50 135.00 129.09 2r1y s PRO 117 Ca 0.69 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 2r1y s PRO 117 Cb -0.20 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2r1y s PRO 117 CO 0.28 -1.25 0.36 -1.12 0.04 0.00 0.00 177.00 175.31 2r1y s SER 118 N -2.71 6.71 -0.16 6.66 0.01 -0.20 -4.92 113.70 119.10 2r1y s SER 118 Ca 0.66 0.85 0.01 0.00 1.31 0.00 0.00 55.95 58.78 2r1y s SER 118 Cb -0.20 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2r1y s SER 118 CO 0.43 0.32 -0.18 -0.69 0.41 0.00 0.00 173.24 173.53 2r1y s VAL 119 N -0.93 1.82 -0.02 3.43 1.01 -1.26 -0.18 120.40 124.28 2r1y s VAL 119 Ca 0.22 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2r1y s VAL 119 Cb -0.16 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2r1y s VAL 119 CO 0.11 0.50 -0.20 -0.31 0.00 0.00 0.00 175.10 175.20 2r1y s TYR 120 N 1.27 1.80 0.37 5.22 2.02 0.18 -4.97 117.35 123.23 2r1y s TYR 120 Ca 0.02 -0.34 -0.23 0.00 -0.37 0.00 0.00 57.07 56.15 2r1y s TYR 120 Cb -0.13 -1.16 -0.10 0.00 -0.40 0.00 0.00 41.96 40.17 2r1y s TYR 120 CO -0.09 -0.03 0.93 -1.25 -1.57 0.00 0.00 175.55 173.53 2r1y s PRO 121 N -0.47 4.37 -0.34 -1.71 0.04 -1.26 -0.72 135.00 134.91 2r1y s PRO 121 Ca 0.08 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.30 2r1y s PRO 121 Cb -0.08 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.06 2r1y s PRO 121 CO -0.01 0.13 0.06 -0.51 0.04 0.00 0.00 177.00 176.71 2r1y s LEU 122 N -2.63 4.53 0.07 -3.56 1.43 0.71 -4.85 118.68 114.39 2r1y s LEU 122 Ca 0.56 -1.82 0.09 0.00 -1.03 0.00 0.00 54.13 51.92 2r1y s LEU 122 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2r1y s LEU 122 CO 0.18 -0.37 -0.22 0.00 0.23 0.00 0.00 176.35 176.16 2r1y s ALA 123 N 1.07 2.47 0.00 4.21 0.00 -1.26 -1.10 121.76 127.15 2r1y s ALA 123 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2r1y s ALA 123 Cb -0.20 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2r1y s ALA 123 CO -0.05 0.56 0.00 -2.30 0.00 0.00 0.00 175.76 173.97 2r1y n PRO 124 N 1.35 0.00 0.00 0.00 -0.02 -1.26 -4.99 135.00 130.08 2r1y n PRO 124 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2r1y n PRO 124 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2r1y n PRO 124 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2r1y n ASN 131 N 0.00 0.00 0.18 2.55 3.02 -1.26 -4.58 115.26 115.17 2r1y n ASN 131 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 2r1y n ASN 131 Cb 0.00 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 2r1y n ASN 131 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2r1y h SER 132 N 0.00 0.00 -4.18 6.41 0.87 -2.00 -3.44 113.55 111.21 2r1y h SER 132 Ca 0.00 -0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.89 2r1y h SER 132 Cb 0.00 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.71 2r1y h SER 132 CO 0.00 0.00 -0.87 -0.32 -0.53 0.00 0.00 176.83 175.12 2r1y s MET 133 N -3.19 1.55 -0.00 2.24 0.00 -1.26 -1.10 119.30 117.53 2r1y s MET 133 Ca 0.07 -1.15 0.03 0.00 0.00 0.00 0.00 55.69 54.65 2r1y s MET 133 Cb 0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 34.83 33.08 2r1y s MET 133 CO 0.66 0.45 -0.11 0.54 0.00 0.00 0.00 175.02 176.57 2r1y s VAL 134 N -0.90 0.83 -0.15 10.11 0.11 0.51 -4.70 120.40 126.21 2r1y s VAL 134 Ca 0.11 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.63 2r1y s VAL 134 Cb -0.10 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2r1y s VAL 134 CO 0.03 0.18 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.99 2r1y s THR 135 N -0.35 3.16 0.43 5.04 2.01 -1.26 -1.12 115.64 123.55 2r1y s THR 135 Ca 0.03 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.48 2r1y s THR 135 Cb -0.05 -2.36 -0.06 0.00 0.01 0.00 0.00 72.50 70.04 2r1y s THR 135 CO -0.00 0.50 0.01 -0.76 -0.69 0.00 0.00 174.62 173.68 2r1y s LEU 136 N 0.63 2.69 0.36 4.42 1.43 0.42 -4.66 118.68 123.97 2r1y s LEU 136 Ca -0.06 -1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 51.43 2r1y s LEU 136 Cb -0.15 -0.82 0.06 0.00 0.03 0.00 0.00 46.19 45.31 2r1y s LEU 136 CO 0.03 -0.56 0.84 -0.83 0.23 0.00 0.00 176.35 176.06 2r1y s GLY 137 N -3.74 0.36 -0.01 -3.19 0.00 -0.26 -0.78 107.32 99.70 2r1y s GLY 137 Ca 0.28 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.29 2r1y s GLY 137 CO 0.14 0.22 -0.02 0.00 0.00 0.00 0.00 173.10 173.44 2r1y s LEU 139 N 0.30 3.72 -0.49 0.00 2.96 0.10 -1.51 118.68 123.76 2r1y s LEU 139 Ca -0.03 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2r1y s LEU 139 Cb -0.05 -2.01 0.13 0.00 0.50 0.00 0.00 46.19 44.75 2r1y s LEU 139 CO -0.01 -0.03 0.29 -0.69 -1.32 0.00 0.00 176.35 174.60 2r1y s VAL 140 N 1.61 3.42 -0.08 1.68 1.01 0.83 -0.65 120.40 128.21 2r1y s VAL 140 Ca 0.06 -2.43 0.01 0.00 0.00 0.00 0.00 61.98 59.62 2r1y s VAL 140 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2r1y s VAL 140 CO 0.07 -0.76 -0.10 -0.75 0.00 0.00 0.00 175.10 173.56 2r1y s LYS 141 N 0.65 2.90 -0.46 2.72 2.20 0.75 -0.57 119.74 127.93 2r1y s LYS 141 Ca 0.12 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 55.10 2r1y s LYS 141 Cb -0.22 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2r1y s LYS 141 CO -0.04 0.52 0.39 0.41 -0.36 0.00 0.00 175.35 176.28 2r1y n GLY 142 N 2.63 0.29 3.62 5.54 0.00 0.11 -1.04 105.19 116.35 2r1y n GLY 142 Ca -0.18 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 2r1y n GLY 142 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r1y s TYR 143 N -3.12 2.64 -0.17 1.61 1.13 -0.34 -4.54 117.35 114.56 2r1y s TYR 143 Ca 0.11 -0.24 -0.25 0.00 -1.41 0.00 0.00 57.07 55.29 2r1y s TYR 143 Cb -0.05 -1.17 0.06 0.00 -1.10 0.00 0.00 41.96 39.70 2r1y s TYR 143 CO 0.26 0.63 0.64 0.12 -2.51 0.00 0.00 175.55 174.70 2r1y s PHE 144 N -2.33 -0.67 0.92 -3.49 5.36 -0.23 -0.38 117.98 117.15 2r1y s PHE 144 Ca 0.31 1.49 -0.14 0.00 -0.96 0.00 0.00 56.93 57.62 2r1y s PHE 144 Cb -0.06 0.29 0.21 0.00 -0.34 0.00 0.00 43.02 43.11 2r1y s PHE 144 CO 0.19 -0.43 1.25 -0.35 -1.46 0.00 0.00 175.22 174.42 2r1y n PRO 145 N 2.11 -1.14 -0.97 10.12 -0.04 -1.26 -0.44 135.00 143.38 2r1y n PRO 145 Ca -0.16 -2.04 -0.31 0.00 -0.04 0.00 0.00 63.50 60.96 2r1y n PRO 145 Cb 0.56 -1.25 0.14 0.00 -0.04 0.00 0.00 33.50 32.91 2r1y n PRO 145 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2r1y s GLU 146 N -5.72 1.32 0.53 0.54 0.41 -1.26 -4.78 118.70 109.75 2r1y s GLU 146 Ca 0.72 1.23 0.09 0.00 -0.41 0.00 0.00 54.97 56.60 2r1y s GLU 146 Cb -0.02 -1.79 0.07 0.00 -1.78 0.00 0.00 34.13 30.61 2r1y s GLU 146 CO 0.50 -2.31 0.74 -1.25 -0.49 0.00 0.00 175.26 172.44 2r1y s PRO 147 N -4.77 2.44 0.24 0.39 0.04 -1.26 -4.94 135.00 127.14 2r1y s PRO 147 Ca 0.64 -1.52 0.09 0.00 0.04 0.00 0.00 61.00 60.25 2r1y s PRO 147 Cb -0.20 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 2r1y s PRO 147 CO 0.58 -0.71 -0.14 0.14 0.04 0.00 0.00 177.00 176.90 2r1y s VAL 148 N -2.59 1.95 -0.00 -0.36 -7.23 -1.26 -4.22 120.40 106.68 2r1y s VAL 148 Ca 0.60 -2.25 0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2r1y s VAL 148 Cb -0.07 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2r1y s VAL 148 CO 0.37 -0.48 -0.23 0.42 -0.31 0.00 0.00 175.10 174.87 2r1y s THR 149 N -2.84 2.32 -0.07 5.32 -4.23 -0.32 -4.97 115.64 110.84 2r1y s THR 149 Ca 0.26 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2r1y s THR 149 Cb -0.01 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.99 2r1y s THR 149 CO 0.10 0.50 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.92 2r1y s VAL 150 N -0.71 0.89 0.36 2.29 1.01 -1.26 -1.24 120.40 121.74 2r1y s VAL 150 Ca 0.11 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2r1y s VAL 150 Cb -0.10 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 2r1y s VAL 150 CO 0.01 0.32 0.05 0.42 0.00 0.00 0.00 175.10 175.89 2r1y s THR 151 N 1.10 1.40 -0.07 3.92 -4.23 -0.34 -4.98 115.64 112.44 2r1y s THR 151 Ca -0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2r1y s THR 151 Cb -0.14 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2r1y s THR 151 CO -0.01 0.00 -0.16 0.26 -0.54 0.00 0.00 174.62 174.17 2r1y s TRP 152 N -3.11 1.79 -1.41 3.99 0.52 -1.26 -0.17 118.94 119.29 2r1y s TRP 152 Ca 0.35 -0.65 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 2r1y s TRP 152 Cb 0.09 -1.25 0.00 0.00 -1.15 0.00 0.00 33.47 31.16 2r1y s TRP 152 CO 0.16 -0.28 0.37 0.09 0.02 0.00 0.00 176.95 177.30 2r1y n ASN 153 N 3.57 -0.42 -2.33 2.95 3.02 0.38 -1.15 115.26 121.28 2r1y n ASN 153 Ca -0.21 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.15 2r1y n ASN 153 Cb 0.52 -2.79 -0.01 0.00 -0.61 0.00 0.00 39.78 36.89 2r1y n ASN 153 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2r1y n SER 154 N -2.94 -4.16 0.00 6.41 7.64 -1.26 -1.67 113.62 117.64 2r1y n SER 154 Ca -0.30 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2r1y n SER 154 Cb 0.68 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.33 2r1y n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r1y n GLY 155 N -0.78 0.43 0.25 0.23 0.00 -0.30 -4.95 105.19 100.07 2r1y n GLY 155 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 2r1y n GLY 155 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r1y h SER 156 N 0.00 0.00 -3.42 1.61 4.64 -1.23 -3.35 113.55 111.81 2r1y h SER 156 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 2r1y h SER 156 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 2r1y h SER 156 CO 0.00 0.11 -0.42 -0.76 -0.87 0.00 0.00 176.83 174.89 2r1y s LEU 157 N -6.56 5.27 0.00 5.97 1.43 -1.08 -4.87 118.68 118.83 2r1y s LEU 157 Ca 0.00 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 2r1y s LEU 157 Cb 0.10 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2r1y s LEU 157 CO 0.59 -0.55 0.00 -1.54 0.23 0.00 0.00 176.35 175.07 2r1y n SER 158 N 5.04 4.18 -4.77 2.29 3.41 -1.26 -4.15 113.62 118.36 2r1y n SER 158 Ca -0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 2r1y n SER 158 Cb 0.44 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2r1y n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2r1y s SER 159 N -3.63 6.69 0.00 4.04 0.15 -1.26 -2.74 113.70 116.95 2r1y s SER 159 Ca 0.00 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.40 2r1y s SER 159 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2r1y s SER 159 CO 0.00 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2r1y n GLY 160 N 0.78 0.47 3.76 9.45 0.00 -1.26 -4.78 105.19 113.61 2r1y n GLY 160 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2r1y n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1y s VAL 161 N -2.01 5.35 -0.16 1.61 1.01 -1.11 -1.58 120.40 123.51 2r1y s VAL 161 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2r1y s VAL 161 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.86 2r1y s VAL 161 CO 0.00 0.46 -0.12 -1.00 0.00 0.00 0.00 175.10 174.44 2r1y s HIS 162 N 0.06 2.15 -0.28 5.22 3.76 -0.06 -5.00 115.29 121.14 2r1y s HIS 162 Ca 0.14 -1.28 -0.07 0.00 -0.15 0.00 0.00 55.06 53.70 2r1y s HIS 162 Cb -0.12 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 32.01 2r1y s HIS 162 CO 0.03 -0.67 0.08 0.99 -0.85 0.00 0.00 174.74 174.31 2r1y s THR 163 N 1.49 4.09 -0.14 1.30 2.01 -1.26 -0.22 115.64 122.91 2r1y s THR 163 Ca 0.03 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 2r1y s THR 163 Cb -0.14 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2r1y s THR 163 CO -0.10 0.18 0.98 -0.36 -0.69 0.00 0.00 174.62 174.63 2r1y s PHE 164 N 1.54 3.47 0.45 4.92 0.08 0.22 -4.99 117.98 123.67 2r1y s PHE 164 Ca 0.04 1.51 -0.24 0.00 0.12 0.00 0.00 56.93 58.36 2r1y s PHE 164 Cb -0.16 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 2r1y s PHE 164 CO 0.03 -0.26 1.07 -2.30 -0.10 0.00 0.00 175.22 173.66 2r1y n PRO 165 N 5.24 1.43 -2.00 0.24 -0.02 -1.26 -3.81 135.00 134.81 2r1y n PRO 165 Ca 0.08 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 2r1y n PRO 165 Cb 0.48 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.83 2r1y n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r1y s ALA 166 N -1.30 2.73 -0.06 3.55 0.00 -1.26 -4.83 121.76 120.59 2r1y s ALA 166 Ca 0.65 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2r1y s ALA 166 Cb -0.52 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.14 2r1y s ALA 166 CO 0.55 -1.11 -0.13 0.08 0.00 0.00 0.00 175.76 175.15 2r1y s VAL 167 N -1.49 1.19 -0.17 0.00 1.01 -0.75 -4.94 120.40 115.24 2r1y s VAL 167 Ca 0.72 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 2r1y s VAL 167 Cb -0.33 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2r1y s VAL 167 CO 0.38 0.36 0.70 -0.22 0.00 0.00 0.00 175.10 176.33 2r1y s LEU 168 N 0.48 4.17 -0.05 3.92 2.96 -1.26 -1.80 118.68 127.10 2r1y s LEU 168 Ca -0.11 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2r1y s LEU 168 Cb -0.14 -3.03 0.04 0.00 0.50 0.00 0.00 46.19 43.56 2r1y s LEU 168 CO 0.03 -0.30 0.10 -1.10 -1.32 0.00 0.00 176.35 173.77 2r1y s GLN 169 N 1.86 0.03 -1.34 1.98 -0.21 -0.26 -4.89 119.66 116.83 2r1y s GLN 169 Ca 0.33 0.33 -0.13 0.00 0.02 0.00 0.00 55.36 55.91 2r1y s GLN 169 Cb -0.16 -0.24 0.01 0.00 1.00 0.00 0.00 33.01 33.62 2r1y s GLN 169 CO 0.12 -0.20 0.45 0.43 -2.12 0.00 0.00 175.29 173.97 2r1y n SER 170 N 4.43 -1.93 -0.11 5.90 7.64 -1.26 -2.16 113.62 126.13 2r1y n SER 170 Ca -0.22 -1.16 -0.01 0.00 1.01 0.00 0.00 58.87 58.48 2r1y n SER 170 Cb 0.51 -2.37 -0.01 0.00 -1.01 0.00 0.00 64.21 61.33 2r1y n SER 170 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2r1y n ASP 171 N -2.68 -4.73 -4.03 6.43 8.00 -1.26 -4.97 116.55 113.31 2r1y n ASP 171 Ca -0.22 0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 2r1y n ASP 171 Cb 0.64 -2.35 -0.13 0.00 -0.02 0.00 0.00 41.12 39.26 2r1y n ASP 171 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2r1y s LEU 172 N -0.31 2.11 0.26 0.64 1.43 -0.92 -4.86 118.68 117.02 2r1y s LEU 172 Ca 0.00 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 2r1y s LEU 172 Cb 0.00 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.82 2r1y s LEU 172 CO 0.00 -0.01 0.62 -0.31 0.23 0.00 0.00 176.35 176.88 2r1y s TYR 173 N -0.62 3.42 -0.02 0.29 2.02 0.49 -1.10 117.35 121.83 2r1y s TYR 173 Ca -0.01 1.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.71 2r1y s TYR 173 Cb -0.06 -2.37 0.01 0.00 -0.40 0.00 0.00 41.96 39.15 2r1y s TYR 173 CO 0.00 0.21 -0.02 0.99 -1.57 0.00 0.00 175.55 175.17 2r1y s THR 174 N -1.86 0.23 0.24 -0.71 2.01 -0.75 -0.71 115.64 114.09 2r1y s THR 174 Ca 0.49 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2r1y s THR 174 Cb -0.11 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 2r1y s THR 174 CO 0.20 0.11 0.05 -1.48 -0.69 0.00 0.00 174.62 172.81 2r1y s LEU 175 N 0.48 1.91 0.14 4.42 0.05 0.27 -1.81 118.68 124.14 2r1y s LEU 175 Ca -0.05 -1.30 -0.01 0.00 0.05 0.00 0.00 54.13 52.83 2r1y s LEU 175 Cb -0.08 -0.09 -0.04 0.00 -2.05 0.00 0.00 46.19 43.93 2r1y s LEU 175 CO -0.01 -0.64 0.05 -0.94 -0.55 0.00 0.00 176.35 174.27 2r1y s SER 176 N -3.29 0.39 -0.09 1.48 1.04 -1.25 -0.12 113.70 111.87 2r1y s SER 176 Ca 0.32 -1.21 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 2r1y s SER 176 Cb 0.07 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2r1y s SER 176 CO 0.10 -0.72 0.20 -0.55 0.98 0.00 0.00 173.24 173.26 2r1y s SER 177 N -3.06 -0.20 0.11 7.02 0.15 -0.57 -0.61 113.70 116.54 2r1y s SER 177 Ca 0.24 0.42 0.05 0.00 0.70 0.00 0.00 55.95 57.37 2r1y s SER 177 Cb 0.07 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2r1y s SER 177 CO 0.02 -0.14 -0.01 -0.94 1.20 0.00 0.00 173.24 173.37 2r1y s SER 178 N 1.05 4.94 -0.01 5.45 1.04 0.69 -1.41 113.70 125.45 2r1y s SER 178 Ca -0.08 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2r1y s SER 178 Cb -0.09 -1.14 -0.00 0.00 0.10 0.00 0.00 66.02 64.89 2r1y s SER 178 CO -0.06 0.16 -0.08 0.54 0.98 0.00 0.00 173.24 174.78 2r1y s VAL 179 N -1.38 0.64 -0.16 5.02 0.11 0.04 -0.88 120.40 123.78 2r1y s VAL 179 Ca 0.26 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 2r1y s VAL 179 Cb -0.11 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2r1y s VAL 179 CO 0.18 0.19 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.05 2r1y s THR 180 N 0.01 2.01 0.18 5.04 2.01 -0.62 -0.44 115.64 123.84 2r1y s THR 180 Ca 0.00 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.14 2r1y s THR 180 Cb -0.05 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 2r1y s THR 180 CO -0.00 0.54 -0.13 0.68 -0.69 0.00 0.00 174.62 175.01 2r1y s VAL 181 N 1.11 1.53 0.29 3.82 -7.23 -0.27 -4.72 120.40 114.92 2r1y s VAL 181 Ca 0.00 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 2r1y s VAL 181 Cb -0.14 -1.94 -0.12 0.00 0.56 0.00 0.00 36.38 34.75 2r1y s VAL 181 CO -0.08 -0.62 1.59 -2.65 -0.31 0.00 0.00 175.10 173.02 2r1y n PRO 182 N -0.24 2.67 0.30 4.82 -0.02 -1.26 -0.36 135.00 140.91 2r1y n PRO 182 Ca -0.09 0.95 0.16 0.00 -2.02 0.00 0.00 63.50 62.50 2r1y n PRO 182 Cb 0.60 -2.73 0.96 0.00 -0.02 0.00 0.00 33.50 32.31 2r1y n PRO 182 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r1y h SER 183 N 4.85 0.00 0.44 2.55 4.64 -1.39 -0.81 113.55 123.83 2r1y h SER 183 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2r1y h SER 183 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2r1y h SER 183 CO 0.80 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.23 2r1y n SER 184 N -3.70 0.26 -0.00 4.97 3.41 -1.26 -3.09 113.62 114.21 2r1y n SER 184 Ca -0.03 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 2r1y n SER 184 Cb 0.09 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 2r1y n SER 184 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2r1y n THR 185 N -1.80 0.00 -4.05 6.66 -2.24 -0.31 -4.75 114.28 107.79 2r1y n THR 185 Ca 0.02 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 2r1y n THR 185 Cb 0.15 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 2r1y n THR 185 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2r1y s TRP 186 N -2.17 0.42 -2.04 4.78 -0.00 -1.18 -0.27 118.94 118.48 2r1y s TRP 186 Ca 0.03 -0.07 0.10 0.00 -0.00 0.00 0.00 56.10 56.16 2r1y s TRP 186 Cb 0.08 -0.38 0.40 0.00 -0.00 0.00 0.00 33.47 33.58 2r1y s TRP 186 CO 0.47 -0.08 1.29 -0.35 -0.00 0.00 0.00 176.95 178.27 2r1y n PRO 187 N 3.58 1.35 -0.03 5.86 -0.04 -1.26 -4.79 135.00 139.67 2r1y n PRO 187 Ca -0.20 -0.54 -0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2r1y n PRO 187 Cb 0.54 -1.19 0.29 0.00 -0.04 0.00 0.00 33.50 33.10 2r1y n PRO 187 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2r1y h SER 188 N 0.94 0.55 -2.89 3.54 4.64 -1.85 -3.41 113.55 115.07 2r1y h SER 188 Ca 0.00 -0.09 -0.60 0.00 -0.47 0.00 0.00 61.79 60.64 2r1y h SER 188 Cb 0.21 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.08 2r1y h SER 188 CO 0.00 0.57 -0.58 -1.61 -0.87 0.00 0.00 176.83 174.34 2r1y s GLU 189 N -5.12 2.90 0.30 4.77 0.41 0.62 -5.09 118.70 117.49 2r1y s GLU 189 Ca -0.08 -0.80 -0.23 0.00 -0.41 0.00 0.00 54.97 53.45 2r1y s GLU 189 Cb 0.16 -2.68 -0.09 0.00 -1.78 0.00 0.00 34.13 29.73 2r1y s GLU 189 CO 0.77 0.52 0.87 -0.08 -0.49 0.00 0.00 175.26 176.84 2r1y s THR 190 N -1.61 4.35 -0.08 3.63 -1.32 -1.26 -4.51 115.64 114.84 2r1y s THR 190 Ca 0.30 1.60 0.01 0.00 -1.21 0.00 0.00 61.69 62.39 2r1y s THR 190 Cb -0.11 -3.91 0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2r1y s THR 190 CO 0.23 0.11 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.98 2r1y s VAL 191 N -1.65 0.91 -0.04 5.08 1.01 -1.26 -4.99 120.40 119.46 2r1y s VAL 191 Ca 0.49 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2r1y s VAL 191 Cb -0.17 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2r1y s VAL 191 CO 0.22 0.33 -0.04 -0.89 0.00 0.00 0.00 175.10 174.72 2r1y s THR 192 N 1.27 0.45 -0.03 3.92 2.01 -1.26 -0.60 115.64 121.39 2r1y s THR 192 Ca -0.04 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.71 2r1y s THR 192 Cb -0.14 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2r1y s THR 192 CO -0.03 0.20 0.47 0.00 -0.69 0.00 0.00 174.62 174.57 2r1y s ASN 194 N -0.46 4.94 -0.07 0.00 0.01 0.76 -1.04 114.94 119.09 2r1y s ASN 194 Ca 0.26 -0.29 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2r1y s ASN 194 Cb -0.17 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.61 2r1y s ASN 194 CO 0.13 -0.05 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.74 2r1y s VAL 195 N 1.58 2.04 0.02 1.60 1.01 0.40 -1.20 120.40 125.85 2r1y s VAL 195 Ca 0.06 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.05 2r1y s VAL 195 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2r1y s VAL 195 CO 0.02 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 2r1y s ALA 196 N -0.06 1.63 -0.41 5.51 0.00 -0.37 -0.90 121.76 127.16 2r1y s ALA 196 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2r1y s ALA 196 Cb -0.15 -0.35 0.12 0.00 0.00 0.00 0.00 23.12 22.75 2r1y s ALA 196 CO 0.05 0.37 0.18 -1.58 0.00 0.00 0.00 175.76 174.79 2r1y s HIS 197 N -0.68 2.39 0.39 0.00 2.46 -0.36 -1.18 115.29 118.31 2r1y s HIS 197 Ca 0.07 -2.49 0.09 0.00 0.47 0.00 0.00 55.06 53.19 2r1y s HIS 197 Cb -0.08 -2.17 0.85 0.00 -0.13 0.00 0.00 32.58 31.05 2r1y s HIS 197 CO 0.01 -0.82 1.95 -1.00 -2.47 0.00 0.00 174.74 172.41 2r1y h PRO 198 N 7.11 0.61 -0.47 2.88 0.13 -1.82 -0.96 132.00 139.48 2r1y h PRO 198 Ca -0.05 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2r1y h PRO 198 Cb 0.95 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2r1y h PRO 198 CO 0.52 0.40 0.31 0.00 -0.23 0.00 0.00 178.00 179.00 2r1y h ALA 199 N 1.63 1.74 -0.52 -0.56 0.00 -1.90 -0.81 119.26 118.85 2r1y h ALA 199 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2r1y h ALA 199 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2r1y h ALA 199 CO -0.11 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 2r1y n SER 200 N -4.47 3.39 -3.32 0.00 3.41 -0.81 -4.97 113.62 106.86 2r1y n SER 200 Ca 0.05 -1.99 -0.22 0.00 -0.26 0.00 0.00 58.87 56.45 2r1y n SER 200 Cb 0.11 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 2r1y n SER 200 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2r1y n SER 201 N 1.05 -3.11 -4.73 4.04 7.64 -0.31 -4.90 113.62 113.30 2r1y n SER 201 Ca 0.18 -0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 2r1y n SER 201 Cb 0.52 -2.61 -0.04 0.00 -1.01 0.00 0.00 64.21 61.06 2r1y n SER 201 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2r1y s THR 202 N -2.81 4.69 -0.08 0.44 2.01 -0.57 -4.93 115.64 114.40 2r1y s THR 202 Ca 0.37 1.88 0.00 0.00 0.31 0.00 0.00 61.69 64.25 2r1y s THR 202 Cb -0.20 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.10 2r1y s THR 202 CO 0.45 0.29 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.08 2r1y s LYS 203 N 0.26 1.09 -0.03 4.92 1.02 -1.26 -1.22 119.74 124.52 2r1y s LYS 203 Ca 0.45 -0.13 0.02 0.00 0.02 0.00 0.00 55.97 56.33 2r1y s LYS 203 Cb -0.21 -1.18 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 2r1y s LYS 203 CO 0.26 -0.19 -0.07 0.08 -0.92 0.00 0.00 175.35 174.52 2r1y s VAL 204 N 1.43 0.62 -0.18 3.17 1.01 -0.08 -5.01 120.40 121.35 2r1y s VAL 204 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2r1y s VAL 204 Cb -0.13 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2r1y s VAL 204 CO -0.03 0.21 -0.18 -1.81 0.00 0.00 0.00 175.10 173.28 2r1y s ASP 205 N 0.33 3.27 -0.27 3.32 1.01 -1.26 -0.45 116.67 122.61 2r1y s ASP 205 Ca -0.04 -0.62 0.00 0.00 0.71 0.00 0.00 52.55 52.60 2r1y s ASP 205 Cb -0.09 -1.51 0.05 0.00 1.01 0.00 0.00 42.92 42.38 2r1y s ASP 205 CO 0.00 0.00 -0.06 -0.75 0.21 0.00 0.00 175.17 174.57 2r1y s LYS 206 N 1.27 2.45 0.11 8.23 2.47 -0.21 -4.98 119.74 129.10 2r1y s LYS 206 Ca 0.04 -1.23 -0.30 0.00 -1.56 0.00 0.00 55.97 52.92 2r1y s LYS 206 Cb -0.13 -3.01 -0.06 0.00 -1.46 0.00 0.00 37.83 33.17 2r1y s LYS 206 CO -0.11 -0.54 1.13 0.21 0.16 0.00 0.00 175.35 176.20 2r1y s LYS 207 N 1.21 4.52 -0.42 4.03 2.20 -1.26 -1.62 119.74 128.39 2r1y s LYS 207 Ca -0.05 1.72 -0.25 0.00 -0.36 0.00 0.00 55.97 57.03 2r1y s LYS 207 Cb -0.19 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2r1y s LYS 207 CO -0.04 -0.08 0.89 0.42 -0.36 0.00 0.00 175.35 176.18 2r1y s ILE 208 N 0.43 4.55 -0.10 5.43 -1.09 0.23 -4.94 121.20 125.70 2r1y s ILE 208 Ca 0.54 0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 59.76 2r1y s ILE 208 Cb -0.29 -4.37 -0.03 0.00 -1.58 0.00 0.00 42.46 36.19 2r1y s ILE 208 CO 0.32 -0.70 0.01 0.54 -1.23 0.00 0.00 174.94 173.88 2r1y s VAL 209 N 3.55 4.37 0.36 2.92 0.11 -1.26 -4.62 120.40 125.83 2r1y s VAL 209 Ca 0.36 -0.22 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 2r1y s VAL 209 Cb -0.11 -2.86 -0.10 0.00 -1.53 0.00 0.00 36.38 31.78 2r1y s VAL 209 CO 0.23 0.58 1.37 -2.16 -3.33 0.00 0.00 175.10 171.79 2r1y s PRO 210 N -0.63 4.21 0.00 1.54 0.04 -1.26 -4.86 135.00 134.04 2r1y s PRO 210 Ca 0.10 2.34 0.31 0.00 0.04 0.00 0.00 61.00 63.79 2r1y s PRO 210 Cb -0.12 -2.99 1.70 0.00 0.04 0.00 0.00 34.50 33.13 2r1y s PRO 210 CO 0.02 -0.36 2.11 0.54 0.04 0.00 0.00 177.00 179.36