#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x s SER 2 N 0.00 5.59 -0.04 1.61 1.04 -1.26 -5.04 113.70 115.60 1x4x s SER 2 Ca 0.00 -2.30 -0.01 0.00 0.48 0.00 0.00 55.95 54.12 1x4x s SER 2 Cb 0.00 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.20 1x4x s SER 2 CO 0.00 -0.55 0.04 -0.44 0.98 0.00 0.00 173.24 173.26 1x4x s SER 3 N 1.85 0.88 -0.45 7.02 0.01 -1.26 -5.11 113.70 116.65 1x4x s SER 3 Ca 0.11 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1x4x s SER 3 Cb -0.22 -0.18 0.12 0.00 0.21 0.00 0.00 66.02 65.95 1x4x s SER 3 CO -0.03 -0.20 0.19 -0.83 0.41 0.00 0.00 173.24 172.78 1x4x s GLY 4 N 1.75 2.20 0.56 3.44 0.00 -1.26 -5.10 107.32 108.91 1x4x s GLY 4 Ca -0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 44.72 41.73 1x4x s GLY 4 CO -0.03 1.04 0.83 -0.45 0.00 0.00 0.00 173.10 174.49 1x4x s SER 5 N 0.18 5.54 -0.22 1.64 0.15 -1.26 -5.09 113.70 114.64 1x4x s SER 5 Ca 0.15 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1x4x s SER 5 Cb -0.23 -1.49 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1x4x s SER 5 CO -0.03 -1.03 -0.13 -0.94 1.20 0.00 0.00 173.24 172.31 1x4x s SER 6 N -4.32 3.86 0.00 5.45 1.04 -1.26 -5.07 113.70 113.41 1x4x s SER 6 Ca 0.53 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1x4x s SER 6 Cb -0.10 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1x4x s SER 6 CO 0.42 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1x4x n GLY 7 N 4.60 1.97 3.58 7.32 0.00 -1.26 -4.72 105.19 116.68 1x4x n GLY 7 Ca -0.18 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1x4x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 8 N -1.97 -1.45 0.51 1.61 0.04 -1.26 -4.87 135.00 127.61 1x4x s PRO 8 Ca 0.00 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.74 1x4x s PRO 8 Cb 0.00 -1.58 -0.08 0.00 0.04 0.00 0.00 34.50 32.89 1x4x s PRO 8 CO 0.00 -3.84 0.97 0.34 0.04 0.00 0.00 177.00 174.50 1x4x s ASP 9 N -3.95 6.59 0.37 6.66 2.15 -1.26 -4.85 116.67 122.38 1x4x s ASP 9 Ca 0.72 1.52 -0.24 0.00 0.43 0.00 0.00 52.55 54.98 1x4x s ASP 9 Cb -0.08 -2.49 -0.14 0.00 -0.30 0.00 0.00 42.92 39.91 1x4x s ASP 9 CO 0.56 -0.58 0.54 1.67 -0.17 0.00 0.00 175.17 177.19 1x4x n GLN 10 N -1.62 0.51 -3.66 4.34 7.27 -1.26 -4.90 117.38 118.06 1x4x n GLN 10 Ca 0.06 0.18 -0.37 0.00 0.07 0.00 0.00 57.00 56.95 1x4x n GLN 10 Cb 0.54 -1.40 -0.06 0.00 2.41 0.00 0.00 30.24 31.73 1x4x n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4x s LYS 12 N -1.29 3.73 0.28 0.00 -0.14 -1.26 -3.69 119.74 117.37 1x4x s LYS 12 Ca 0.23 1.16 -0.29 0.00 -1.36 0.00 0.00 55.97 55.70 1x4x s LYS 12 Cb -0.14 -2.10 -0.10 0.00 -1.68 0.00 0.00 37.83 33.81 1x4x s LYS 12 CO 0.12 -0.46 1.25 -1.25 -0.76 0.00 0.00 175.35 174.24 1x4x s PRO 13 N -3.76 4.45 1.01 -1.68 0.04 -1.26 -4.80 135.00 128.99 1x4x s PRO 13 Ca 0.63 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.60 1x4x s PRO 13 Cb -0.13 -3.14 0.19 0.00 0.04 0.00 0.00 34.50 31.46 1x4x s PRO 13 CO 0.28 -0.09 1.09 -1.25 0.04 0.00 0.00 177.00 177.07 1x4x s PRO 14 N -1.22 0.37 -0.27 0.56 0.04 -1.26 -4.95 135.00 128.27 1x4x s PRO 14 Ca 0.50 0.50 -0.05 0.00 0.04 0.00 0.00 61.00 61.99 1x4x s PRO 14 Cb -0.37 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1x4x s PRO 14 CO 0.45 -2.77 0.02 -1.14 0.04 0.00 0.00 177.00 173.61 1x4x s GLN 15 N -4.96 3.14 0.04 4.56 2.00 0.14 -4.87 119.66 119.70 1x4x s GLN 15 Ca 0.65 -0.81 -0.20 0.00 -2.00 0.00 0.00 55.36 53.01 1x4x s GLN 15 Cb -0.19 -3.21 -0.06 0.00 0.80 0.00 0.00 33.01 30.35 1x4x s GLN 15 CO 0.58 -0.36 0.57 0.14 -0.50 0.00 0.00 175.29 175.71 1x4x s VAL 16 N 1.47 4.81 -0.53 1.34 -7.23 -1.26 -2.43 120.40 116.56 1x4x s VAL 16 Ca 0.03 1.21 0.04 0.00 -1.81 0.00 0.00 61.98 61.45 1x4x s VAL 16 Cb -0.16 -3.90 0.16 0.00 0.56 0.00 0.00 36.38 33.04 1x4x s VAL 16 CO -0.00 0.51 0.39 -0.89 -0.31 0.00 0.00 175.10 174.79 1x4x s THR 17 N -0.77 1.51 -0.91 5.32 2.01 -0.31 -4.96 115.64 117.52 1x4x s THR 17 Ca 0.29 -3.29 -0.23 0.00 0.31 0.00 0.00 61.69 58.77 1x4x s THR 17 Cb -0.19 -2.02 -0.23 0.00 0.01 0.00 0.00 72.50 70.08 1x4x s THR 17 CO 0.18 -1.10 2.46 0.00 -0.69 0.00 0.00 174.62 175.47 1x4x h ARG 19 N 12.83 0.48 -2.95 0.00 2.47 -1.26 -3.47 114.38 122.48 1x4x h ARG 19 Ca -0.04 -0.20 0.04 0.00 -1.26 0.00 0.00 59.98 58.52 1x4x h ARG 19 Cb 1.22 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.49 1x4x h ARG 19 CO 1.39 0.73 0.27 0.45 0.56 0.00 0.00 179.97 183.38 1x4x s SER 20 N -6.83 -0.14 0.32 7.04 0.15 -0.49 -4.91 113.70 108.84 1x4x s SER 20 Ca -0.07 -0.81 0.10 0.00 0.70 0.00 0.00 55.95 55.87 1x4x s SER 20 Cb 0.13 0.76 0.94 0.00 -1.71 0.00 0.00 66.02 66.14 1x4x s SER 20 CO 0.80 -1.45 1.67 0.00 1.20 0.00 0.00 173.24 175.46 1x4x h ALA 21 N 2.00 1.74 -0.09 5.45 0.00 -1.91 0.06 119.26 126.51 1x4x h ALA 21 Ca -0.25 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1x4x h ALA 21 Cb 1.25 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1x4x h ALA 21 CO 0.31 -0.48 -0.57 0.25 0.00 0.00 0.00 179.25 178.76 1x4x n THR 22 N -5.06 2.14 -3.95 0.00 -2.24 -1.26 -3.66 114.28 100.25 1x4x n THR 22 Ca 0.28 -3.25 -0.14 0.00 -2.27 0.00 0.00 64.05 58.66 1x4x n THR 22 Cb 0.85 -0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.66 1x4x n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4x s ALA 24 N 0.23 -1.31 -0.10 0.00 0.00 0.45 -0.73 121.76 120.30 1x4x s ALA 24 Ca -0.02 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.46 1x4x s ALA 24 Cb -0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1x4x s ALA 24 CO -0.01 -0.25 -0.21 -1.14 0.00 0.00 0.00 175.76 174.15 1x4x s GLN 25 N 0.25 3.04 0.17 0.00 0.74 -1.19 0.40 119.66 123.07 1x4x s GLN 25 Ca -0.00 -0.83 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1x4x s GLN 25 Cb -0.04 -2.36 -0.04 0.00 1.10 0.00 0.00 33.01 31.68 1x4x s GLN 25 CO 0.01 0.23 0.24 0.08 -0.55 0.00 0.00 175.29 175.30 1x4x s VAL 26 N 0.24 5.02 -0.17 1.34 1.01 -0.61 -1.17 120.40 126.07 1x4x s VAL 26 Ca -0.14 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 1x4x s VAL 26 Cb -0.17 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.67 1x4x s VAL 26 CO 0.07 -0.13 0.40 0.20 0.00 0.00 0.00 175.10 175.64 1x4x s ASN 27 N -3.30 -0.50 0.36 3.32 -0.87 -1.02 -3.12 114.94 109.81 1x4x s ASN 27 Ca 0.33 0.88 0.04 0.00 -1.57 0.00 0.00 52.86 52.53 1x4x s ASN 27 Cb -0.10 0.76 -0.01 0.00 -0.02 0.00 0.00 41.25 41.88 1x4x s ASN 27 CO 0.27 -0.19 0.13 -2.67 -2.57 0.00 0.00 177.10 172.07 1x4x n TRP 28 N 4.16 0.11 -3.75 2.20 2.14 -1.25 0.24 117.44 121.28 1x4x n TRP 28 Ca -0.23 -2.29 -0.10 0.00 2.07 0.00 0.00 57.50 56.95 1x4x n TRP 28 Cb 0.55 -0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.99 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1x4x s GLU 29 N -3.35 0.90 0.09 -2.67 0.41 -1.26 -4.88 118.70 107.93 1x4x s GLU 29 Ca 0.18 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 53.72 1x4x s GLU 29 Cb 0.01 0.38 -0.05 0.00 -1.78 0.00 0.00 34.13 32.69 1x4x s GLU 29 CO 0.13 -0.31 0.97 0.08 -0.49 0.00 0.00 175.26 175.64 1x4x s VAL 30 N -3.39 4.56 0.00 2.63 1.01 -1.26 -4.75 120.40 119.20 1x4x s VAL 30 Ca 0.01 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1x4x s VAL 30 Cb 0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1x4x s VAL 30 CO -0.09 0.28 0.00 -0.81 0.00 0.00 0.00 175.10 174.48 1x4x n PRO 31 N 3.03 0.07 -3.08 2.72 -0.04 -1.26 -4.96 135.00 131.48 1x4x n PRO 31 Ca 0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 1x4x n PRO 31 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.94 1x4x n PRO 31 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x4x n LEU 32 N 0.00 5.62 -4.41 1.53 7.94 -1.26 -4.96 117.00 121.46 1x4x n LEU 32 Ca 0.00 -5.34 -0.45 0.00 -1.11 0.00 0.00 56.01 49.11 1x4x n LEU 32 Cb 0.00 -1.03 -0.01 0.00 0.53 0.00 0.00 43.42 42.91 1x4x n LEU 32 CO 0.00 1.89 1.03 -0.94 -1.11 0.00 0.00 177.39 178.27 1x4x s SER 33 N -2.08 7.03 0.30 1.96 1.04 -1.26 -4.80 113.70 115.89 1x4x s SER 33 Ca 0.36 -2.96 0.24 0.00 0.48 0.00 0.00 55.95 54.07 1x4x s SER 33 Cb 0.11 -2.32 1.07 0.00 0.10 0.00 0.00 66.02 64.97 1x4x s SER 33 CO 0.03 -0.65 1.73 -0.55 0.98 0.00 0.00 173.24 174.77 1x4x h ASN 34 N 7.39 0.00 0.00 7.02 -0.00 -2.01 -3.36 115.58 124.62 1x4x h ASN 34 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.52 1x4x h ASN 34 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.24 1x4x h ASN 34 CO 1.10 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 179.14 1x4x n GLY 35 N -0.29 -0.21 3.80 9.14 0.00 -1.26 -5.00 105.19 111.37 1x4x n GLY 35 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1x4x n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4x s THR 36 N -0.27 4.46 -0.02 2.61 -4.23 -1.26 -5.07 115.64 111.87 1x4x s THR 36 Ca 0.00 1.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.97 1x4x s THR 36 Cb 0.00 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1x4x s THR 36 CO 0.00 0.22 0.01 1.51 -0.54 0.00 0.00 174.62 175.82 1x4x s ASP 37 N -1.59 5.20 0.37 3.99 -4.77 -1.26 -4.66 116.67 113.94 1x4x s ASP 37 Ca 0.44 0.03 -0.20 0.00 -3.30 0.00 0.00 52.55 49.52 1x4x s ASP 37 Cb -0.18 -1.39 -0.10 0.00 -1.09 0.00 0.00 42.92 40.16 1x4x s ASP 37 CO 0.22 0.30 0.88 -0.69 0.70 0.00 0.00 175.17 176.58 1x4x s VAL 38 N -1.06 4.44 0.00 2.11 1.01 -1.26 -4.21 120.40 121.43 1x4x s VAL 38 Ca 0.19 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1x4x s VAL 38 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1x4x s VAL 38 CO 0.09 -0.16 0.00 0.35 0.00 0.00 0.00 175.10 175.38 1x4x n THR 39 N -0.24 0.00 -4.09 3.92 -2.24 0.10 -4.97 114.28 106.77 1x4x n THR 39 Ca 0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1x4x n THR 39 Cb 0.53 -0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 1x4x n THR 39 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4x s GLU 40 N -1.72 1.62 -0.11 -0.78 0.41 -1.22 -4.57 118.70 112.33 1x4x s GLU 40 Ca 0.00 -1.55 -0.04 0.00 -0.41 0.00 0.00 54.97 52.97 1x4x s GLU 40 Cb 0.00 0.41 0.06 0.00 -1.78 0.00 0.00 34.13 32.82 1x4x s GLU 40 CO 0.00 -0.65 0.17 0.71 -0.49 0.00 0.00 175.26 175.00 1x4x s TYR 41 N -3.66 -0.17 -0.48 1.61 1.51 -1.20 -1.70 117.35 113.26 1x4x s TYR 41 Ca 0.30 0.48 -0.15 0.00 -1.01 0.00 0.00 57.07 56.69 1x4x s TYR 41 Cb 0.01 -0.31 0.09 0.00 -0.11 0.00 0.00 41.96 41.64 1x4x s TYR 41 CO 0.15 -0.35 0.40 1.03 -1.11 0.00 0.00 175.55 175.67 1x4x s ARG 42 N 2.29 2.94 -0.29 -0.62 0.52 -1.18 -3.71 118.95 118.90 1x4x s ARG 42 Ca 0.04 -1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 53.70 1x4x s ARG 42 Cb -0.13 -4.13 -0.04 0.00 0.52 0.00 0.00 34.95 31.17 1x4x s ARG 42 CO -0.07 -1.09 0.18 -1.17 0.02 0.00 0.00 175.30 173.17 1x4x s LEU 43 N 1.61 4.03 -0.11 2.53 2.96 -1.05 -2.97 118.68 125.69 1x4x s LEU 43 Ca 0.04 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 1x4x s LEU 43 Cb -0.25 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1x4x s LEU 43 CO 0.05 -0.10 0.08 -1.61 -1.32 0.00 0.00 176.35 173.46 1x4x s GLU 44 N 1.72 3.32 -0.06 1.98 2.02 -0.91 -0.10 118.70 126.67 1x4x s GLU 44 Ca 0.07 -0.26 -0.00 0.00 0.02 0.00 0.00 54.97 54.80 1x4x s GLU 44 Cb -0.16 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.05 1x4x s GLU 44 CO 0.09 0.70 -0.02 -0.46 0.02 0.00 0.00 175.26 175.60 1x4x s TRP 45 N -0.83 0.69 -0.17 1.61 -0.11 -0.95 -2.22 118.94 116.96 1x4x s TRP 45 Ca 0.13 -0.19 -0.09 0.00 1.22 0.00 0.00 56.10 57.18 1x4x s TRP 45 Cb -0.12 -0.73 0.06 0.00 -1.50 0.00 0.00 33.47 31.18 1x4x s TRP 45 CO 0.03 -0.27 0.41 0.20 -4.62 0.00 0.00 176.95 172.71 1x4x s GLY 46 N 1.50 -0.33 0.28 5.86 0.00 -1.08 -4.23 107.32 109.30 1x4x s GLY 46 Ca -0.02 1.54 0.09 0.00 0.00 0.00 0.00 44.72 46.33 1x4x s GLY 46 CO -0.03 1.79 1.29 0.61 0.00 0.00 0.00 173.10 176.76 1x4x n GLY 47 N 4.42 -0.86 3.29 0.20 0.00 -1.26 -2.70 105.19 108.28 1x4x n GLY 47 Ca -0.21 0.73 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 1x4x n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x4x s VAL 48 N -5.50 3.10 0.59 1.61 1.01 -1.26 -3.32 120.40 116.63 1x4x s VAL 48 Ca -0.09 -0.59 0.29 0.00 0.00 0.00 0.00 61.98 61.59 1x4x s VAL 48 Cb 0.26 -2.38 0.39 0.00 0.00 0.00 0.00 36.38 34.65 1x4x s VAL 48 CO 0.64 0.46 1.81 1.05 0.00 0.00 0.00 175.10 179.06 1x4x h GLU 49 N 7.83 0.00 0.00 2.72 4.11 -1.93 0.33 114.58 127.64 1x4x h GLU 49 Ca -0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1x4x h GLU 49 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1x4x h GLU 49 CO 0.60 0.00 -0.15 0.78 0.07 0.00 0.00 179.01 180.32 1x4x h GLY 50 N 0.00 0.00 -7.23 1.06 0.00 -1.93 -3.39 103.07 91.57 1x4x h GLY 50 Ca 0.27 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.09 1x4x h GLY 50 CO -0.00 0.00 -0.76 -0.45 0.00 0.00 0.00 176.54 175.32 1x4x s SER 51 N -6.91 2.78 0.12 0.19 0.15 0.12 -5.13 113.70 105.01 1x4x s SER 51 Ca -0.04 -0.76 0.03 0.00 0.70 0.00 0.00 55.95 55.88 1x4x s SER 51 Cb 0.16 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1x4x s SER 51 CO 0.68 -0.30 -0.08 -0.04 1.20 0.00 0.00 173.24 174.70 1x4x s MET 52 N 1.89 0.91 0.15 5.44 -1.94 -1.26 -4.36 119.30 120.14 1x4x s MET 52 Ca -0.00 -1.38 -0.11 0.00 -1.71 0.00 0.00 55.69 52.49 1x4x s MET 52 Cb -0.17 -0.35 0.01 0.00 2.01 0.00 0.00 34.83 36.33 1x4x s MET 52 CO -0.08 0.01 0.33 -0.65 -0.01 0.00 0.00 175.02 174.62 1x4x s GLN 53 N -3.80 1.13 0.06 2.03 -1.52 -1.26 -4.96 119.66 111.33 1x4x s GLN 53 Ca 0.14 -1.01 -0.35 0.00 -1.95 0.00 0.00 55.36 52.19 1x4x s GLN 53 Cb 0.04 0.41 -0.14 0.00 -0.22 0.00 0.00 33.01 33.11 1x4x s GLN 53 CO -0.03 -0.42 1.65 -0.89 -0.25 0.00 0.00 175.29 175.35 1x4x n ILE 54 N -0.21 0.19 -0.06 1.08 2.08 -1.26 -2.23 119.36 118.95 1x4x n ILE 54 Ca -0.10 -0.03 -0.08 0.00 0.56 0.00 0.00 62.75 63.09 1x4x n ILE 54 Cb 0.63 -1.55 -0.05 0.00 -0.75 0.00 0.00 39.64 37.91 1x4x n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x4x s TYR 56 N -2.22 -0.01 0.03 0.00 6.14 -1.08 -5.04 117.35 115.17 1x4x s TYR 56 Ca -0.15 0.03 0.02 0.00 0.64 0.00 0.00 57.07 57.61 1x4x s TYR 56 Cb 0.04 -0.02 -0.02 0.00 0.42 0.00 0.00 41.96 42.38 1x4x s TYR 56 CO 0.26 -0.12 -0.06 0.00 0.64 0.00 0.00 175.55 176.27 1x4x n GLY 58 N 1.68 3.01 0.00 0.00 0.00 -1.24 -4.84 105.19 103.80 1x4x n GLY 58 Ca -0.22 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 43.98 1x4x n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 59 N -1.58 0.13 -1.00 1.61 -0.04 -1.26 -3.25 135.00 129.61 1x4x n PRO 59 Ca 0.00 0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 1x4x n PRO 59 Cb 0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1x4x n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4x n GLY 60 N -0.03 -1.49 0.78 0.55 0.00 -1.26 -4.95 105.19 98.79 1x4x n GLY 60 Ca 0.06 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1x4x n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 61 N -1.35 1.89 -3.64 0.99 4.77 -1.26 -4.91 117.00 113.48 1x4x n LEU 61 Ca 0.09 -2.94 -0.01 0.00 -0.03 0.00 0.00 56.01 53.12 1x4x n LEU 61 Cb 0.52 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1x4x n LEU 61 CO 0.50 0.92 0.78 -0.94 -1.33 0.00 0.00 177.39 177.32 1x4x s SER 62 N -2.60 -0.37 0.02 -1.43 1.04 -1.26 -3.87 113.70 105.23 1x4x s SER 62 Ca 0.32 0.59 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 1x4x s SER 62 Cb 0.33 1.15 -0.02 0.00 0.10 0.00 0.00 66.02 67.58 1x4x s SER 62 CO -0.08 -0.09 -0.01 -0.47 0.98 0.00 0.00 173.24 173.57 1x4x s TYR 63 N 1.26 0.23 -0.30 5.02 5.04 -1.18 -5.06 117.35 122.36 1x4x s TYR 63 Ca -0.09 -0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 54.03 1x4x s TYR 63 Cb -0.03 -0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.14 1x4x s TYR 63 CO -0.13 -0.19 0.04 -2.00 -1.34 0.00 0.00 175.55 171.93 1x4x s GLU 64 N -1.39 2.75 -0.13 4.97 2.12 -1.26 -1.58 118.70 124.19 1x4x s GLU 64 Ca -0.15 -1.07 -0.17 0.00 0.36 0.00 0.00 54.97 53.95 1x4x s GLU 64 Cb -0.09 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 1x4x s GLU 64 CO -0.01 -0.54 0.42 0.42 -0.54 0.00 0.00 175.26 175.01 1x4x s ILE 65 N 1.38 5.22 0.31 -3.70 1.01 0.16 -4.98 121.20 120.60 1x4x s ILE 65 Ca -0.01 0.82 0.03 0.00 0.00 0.00 0.00 60.65 61.49 1x4x s ILE 65 Cb -0.18 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1x4x s ILE 65 CO 0.00 0.35 0.13 -0.54 0.00 0.00 0.00 174.94 174.89 1x4x s LYS 66 N 0.53 1.60 -0.06 2.79 1.02 -1.26 -0.42 119.74 123.95 1x4x s LYS 66 Ca 0.23 -1.91 -0.00 0.00 0.02 0.00 0.00 55.97 54.31 1x4x s LYS 66 Cb -0.14 -0.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 1x4x s LYS 66 CO 0.08 -0.39 0.01 0.41 -0.92 0.00 0.00 175.35 174.55 1x4x n GLY 67 N -0.61 0.53 2.78 -3.33 0.00 -0.76 -4.99 105.19 98.82 1x4x n GLY 67 Ca -0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1x4x n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 68 N -0.29 0.00 -4.31 0.99 4.77 -0.98 -5.06 117.00 112.11 1x4x n LEU 68 Ca -0.01 -1.60 -0.30 0.00 -0.03 0.00 0.00 56.01 54.07 1x4x n LEU 68 Cb 0.51 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 1x4x n LEU 68 CO 0.01 -0.78 -0.56 -0.55 -1.33 0.00 0.00 177.39 174.18 1x4x s SER 69 N -3.80 3.01 0.80 -1.43 0.15 -1.26 -4.51 113.70 106.67 1x4x s SER 69 Ca 0.46 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 1x4x s SER 69 Cb -0.03 -0.30 0.07 0.00 -1.71 0.00 0.00 66.02 64.05 1x4x s SER 69 CO 0.30 0.28 1.09 -2.16 1.20 0.00 0.00 173.24 173.95 1x4x s PRO 70 N -0.92 2.07 -1.35 5.44 0.04 -1.24 -3.91 135.00 135.13 1x4x s PRO 70 Ca 0.10 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.10 1x4x s PRO 70 Cb -0.10 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1x4x s PRO 70 CO 0.01 -1.76 0.44 0.00 0.04 0.00 0.00 177.00 175.72 1x4x n ALA 71 N -3.59 -2.30 -3.17 8.56 0.00 -0.11 -4.87 120.51 115.04 1x4x n ALA 71 Ca 0.09 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1x4x n ALA 71 Cb 0.53 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 17.80 1x4x n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x4x s THR 72 N -3.87 -0.01 0.25 0.00 2.01 -1.24 -4.96 115.64 107.82 1x4x s THR 72 Ca 0.24 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1x4x s THR 72 Cb -0.12 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1x4x s THR 72 CO 0.95 0.01 1.00 -0.89 -0.69 0.00 0.00 174.62 174.99 1x4x s THR 73 N 0.26 3.86 0.10 -0.82 2.01 -1.26 -2.47 115.64 117.33 1x4x s THR 73 Ca -0.01 1.88 0.01 0.00 0.31 0.00 0.00 61.69 63.87 1x4x s THR 73 Cb -0.03 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1x4x s THR 73 CO -0.01 0.45 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.03 1x4x s TYR 74 N -1.18 0.86 0.08 4.92 2.02 0.30 -4.43 117.35 119.91 1x4x s TYR 74 Ca 0.42 -1.02 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1x4x s TYR 74 Cb -0.28 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1x4x s TYR 74 CO 0.35 -0.27 0.06 0.71 -1.57 0.00 0.00 175.55 174.84 1x4x s TYR 75 N -3.76 0.45 -0.19 2.71 1.51 -1.10 -1.33 117.35 115.64 1x4x s TYR 75 Ca 0.15 -0.93 -0.27 0.00 -1.01 0.00 0.00 57.07 55.01 1x4x s TYR 75 Cb 0.06 -0.29 0.07 0.00 -0.11 0.00 0.00 41.96 41.70 1x4x s TYR 75 CO -0.04 -0.47 0.70 0.00 -1.11 0.00 0.00 175.55 174.64 1x4x s ARG 77 N -0.20 0.10 -0.10 0.00 1.70 -0.94 -2.94 118.95 116.57 1x4x s ARG 77 Ca -0.04 0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 55.57 1x4x s ARG 77 Cb -0.03 -0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.15 1x4x s ARG 77 CO 0.04 -0.16 -0.02 0.54 -1.08 0.00 0.00 175.30 174.63 1x4x s VAL 78 N 1.11 4.13 0.16 4.99 0.11 -1.26 -2.14 120.40 127.49 1x4x s VAL 78 Ca -0.09 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 58.74 1x4x s VAL 78 Cb -0.11 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.96 1x4x s VAL 78 CO -0.06 0.58 -0.18 0.00 -3.33 0.00 0.00 175.10 172.11 1x4x s GLN 79 N -0.58 1.25 -0.23 1.54 -2.07 -1.16 -2.92 119.66 115.49 1x4x s GLN 79 Ca 0.09 -1.38 -0.07 0.00 -1.82 0.00 0.00 55.36 52.19 1x4x s GLN 79 Cb -0.12 -1.31 -0.03 0.00 -1.09 0.00 0.00 33.01 30.46 1x4x s GLN 79 CO 0.02 0.27 0.06 0.00 -1.32 0.00 0.00 175.29 174.32 1x4x s ALA 80 N -1.98 3.19 -0.11 2.60 0.00 -1.26 -3.12 121.76 121.09 1x4x s ALA 80 Ca 0.14 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 1x4x s ALA 80 Cb -0.06 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1x4x s ALA 80 CO 0.06 -0.33 0.36 -0.51 0.00 0.00 0.00 175.76 175.34 1x4x s LEU 81 N 1.32 4.32 0.00 0.00 1.02 -0.69 -1.19 118.68 123.46 1x4x s LEU 81 Ca 0.05 0.69 0.00 0.00 0.02 0.00 0.00 54.13 54.89 1x4x s LEU 81 Cb -0.15 -2.49 -0.00 0.00 0.02 0.00 0.00 46.19 43.58 1x4x s LEU 81 CO 0.03 0.15 0.01 -1.54 0.02 0.00 0.00 176.35 175.03 1x4x n SER 82 N 3.07 2.40 0.10 2.29 3.41 -1.25 0.02 113.62 123.67 1x4x n SER 82 Ca -0.12 -2.11 0.12 0.00 -0.26 0.00 0.00 58.87 56.50 1x4x n SER 82 Cb 0.52 0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.73 1x4x n SER 82 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1x4x h VAL 83 N 1.17 0.00 -0.01 -3.33 -1.51 -1.97 -3.32 116.25 107.28 1x4x h VAL 83 Ca -0.20 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1x4x h VAL 83 Cb 0.63 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1x4x h VAL 83 CO 0.33 0.00 -0.53 0.55 -1.23 0.00 0.00 177.57 176.69 1x4x n VAL 84 N -2.62 0.00 0.00 7.19 3.14 -1.26 -5.02 118.33 119.76 1x4x n VAL 84 Ca 0.01 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1x4x n VAL 84 Cb 0.54 0.89 0.00 0.00 -1.06 0.00 0.00 33.84 34.21 1x4x n VAL 84 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x4x n GLY 85 N 1.43 4.65 3.39 7.55 0.00 -1.25 -4.88 105.19 116.08 1x4x n GLY 85 Ca 0.09 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x n ALA 86 N -1.26 -2.90 -3.60 4.61 0.00 -1.26 -3.97 120.51 112.12 1x4x n ALA 86 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.50 1x4x n ALA 86 Cb 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 19.45 17.71 1x4x n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4x n GLY 87 N 1.58 2.65 3.62 0.00 0.00 -0.34 -4.88 105.19 107.83 1x4x n GLY 87 Ca 0.05 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1x4x n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 88 N -3.59 -0.63 -0.13 1.61 0.04 -1.26 -4.67 135.00 126.38 1x4x s PRO 88 Ca 0.25 0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.39 1x4x s PRO 88 Cb -0.02 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1x4x s PRO 88 CO 0.16 -3.36 0.08 -0.06 0.04 0.00 0.00 177.00 173.86 1x4x s PHE 89 N -2.99 3.37 1.01 0.56 0.08 -1.26 -4.37 117.98 114.37 1x4x s PHE 89 Ca 0.69 0.30 -0.16 0.00 0.12 0.00 0.00 56.93 57.88 1x4x s PHE 89 Cb -0.13 -1.95 0.25 0.00 -0.57 0.00 0.00 43.02 40.62 1x4x s PHE 89 CO 0.57 0.47 0.56 -1.13 -0.10 0.00 0.00 175.22 175.59 1x4x n SER 90 N 2.55 -3.36 -4.64 1.36 3.41 -1.15 -4.83 113.62 106.96 1x4x n SER 90 Ca -0.18 -0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 57.43 1x4x n SER 90 Cb 0.54 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 1x4x n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4x s GLU 91 N -4.13 4.03 -0.04 4.33 0.41 -1.26 -4.87 118.70 117.17 1x4x s GLU 91 Ca 0.43 1.32 -0.40 0.00 -0.41 0.00 0.00 54.97 55.91 1x4x s GLU 91 Cb -0.08 -3.81 -0.19 0.00 -1.78 0.00 0.00 34.13 28.27 1x4x s GLU 91 CO 0.36 -0.96 1.23 0.28 -0.49 0.00 0.00 175.26 175.68 1x4x n VAL 92 N 5.91 0.01 -3.66 2.63 0.31 -1.26 -4.60 118.33 117.66 1x4x n VAL 92 Ca 0.14 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.08 1x4x n VAL 92 Cb 0.46 -0.32 -0.10 0.00 -0.91 0.00 0.00 33.84 32.97 1x4x n VAL 92 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x4x s VAL 93 N 0.61 3.91 0.42 2.52 1.01 -1.15 -4.98 120.40 122.73 1x4x s VAL 93 Ca 0.91 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1x4x s VAL 93 Cb -1.20 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 31.63 1x4x s VAL 93 CO 0.57 -0.53 1.00 0.00 0.00 0.00 0.00 175.10 176.15 1x4x s ALA 94 N 1.34 3.04 -0.27 5.51 0.00 -1.26 -3.50 121.76 126.62 1x4x s ALA 94 Ca 0.04 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 1x4x s ALA 94 Cb -0.23 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 19.76 1x4x s ALA 94 CO 0.00 -0.09 0.64 0.00 0.00 0.00 0.00 175.76 176.31 1x4x s VAL 96 N 1.90 3.79 0.52 0.00 1.01 -1.26 -0.54 120.40 125.82 1x4x s VAL 96 Ca -0.09 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1x4x s VAL 96 Cb -0.07 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 1x4x s VAL 96 CO -0.19 0.36 1.14 0.42 0.00 0.00 0.00 175.10 176.83 1x4x s THR 97 N 1.53 3.17 0.56 3.92 -4.23 -1.03 -4.88 115.64 114.68 1x4x s THR 97 Ca 0.06 0.77 -0.19 0.00 -1.18 0.00 0.00 61.69 61.15 1x4x s THR 97 Cb -0.15 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 1x4x s THR 97 CO -0.00 -0.12 1.13 -2.16 -0.54 0.00 0.00 174.62 172.92 1x4x s PRO 98 N -3.13 3.28 0.25 3.99 0.04 -1.26 -0.93 135.00 137.23 1x4x s PRO 98 Ca 0.70 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 1x4x s PRO 98 Cb -0.25 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1x4x s PRO 98 CO 0.29 -0.90 1.26 -1.25 0.04 0.00 0.00 177.00 176.44 1x4x s PRO 99 N -3.41 4.43 -0.42 0.56 0.04 -1.26 -2.94 135.00 132.00 1x4x s PRO 99 Ca 0.72 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.75 1x4x s PRO 99 Cb -0.23 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.26 1x4x s PRO 99 CO 0.29 -0.14 0.24 0.45 0.04 0.00 0.00 177.00 177.88 1x4x s SER 100 N -0.15 5.40 0.15 6.66 0.15 -1.26 -4.92 113.70 119.73 1x4x s SER 100 Ca 0.52 -1.89 -0.24 0.00 0.70 0.00 0.00 55.95 55.04 1x4x s SER 100 Cb -0.36 -1.89 0.07 0.00 -1.71 0.00 0.00 66.02 62.12 1x4x s SER 100 CO 0.43 -0.57 0.68 -0.55 1.20 0.00 0.00 173.24 174.43 1x4x s SER 101 N 2.05 -0.48 0.00 5.45 0.15 -1.26 -5.06 113.70 114.56 1x4x s SER 101 Ca 0.06 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1x4x s SER 101 Cb -0.24 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x4x s SER 101 CO -0.02 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1x4x n GLY 102 N -0.38 4.41 3.74 9.45 0.00 -1.26 -5.10 105.19 116.06 1x4x n GLY 102 Ca -0.13 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1x4x n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 103 N -4.09 4.40 0.04 1.61 0.04 -1.26 -4.96 135.00 130.79 1x4x s PRO 103 Ca 0.00 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1x4x s PRO 103 Cb 0.00 -3.18 -0.19 0.00 0.04 0.00 0.00 34.50 31.17 1x4x s PRO 103 CO 0.00 -0.21 1.21 1.03 0.04 0.00 0.00 177.00 179.07 1x4x h SER 104 N 5.09 0.64 -2.19 6.66 0.87 -2.07 -3.45 113.55 119.10 1x4x h SER 104 Ca -0.45 -0.67 -0.60 0.00 -1.23 0.00 0.00 61.79 58.84 1x4x h SER 104 Cb 1.22 -0.19 0.16 0.00 -0.44 0.00 0.00 62.40 63.15 1x4x h SER 104 CO 0.75 1.21 -0.76 -0.24 -0.53 0.00 0.00 176.83 177.26 1x4x n SER 105 N -4.19 -2.25 0.00 6.23 2.88 -1.26 -5.34 113.62 109.69 1x4x n SER 105 Ca -0.09 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1x4x n SER 105 Cb 0.64 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1x4x n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42