#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 0.82 -0.02 1.61 0.01 -1.26 -5.05 113.70 109.81 1x4x s SER 2 Ca 0.00 -0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.10 1x4x s SER 2 Cb 0.00 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 1x4x s SER 2 CO 0.00 0.09 -0.07 -1.20 0.41 0.00 0.00 173.24 172.46 1x4x n SER 3 N 2.91 0.70 -3.92 2.44 7.64 -1.26 -5.09 113.62 117.03 1x4x n SER 3 Ca -0.13 0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 1x4x n SER 3 Cb 0.58 -0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.42 1x4x n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4x s GLY 4 N -4.80 0.13 -0.17 0.23 0.00 -1.26 -5.13 107.32 96.32 1x4x s GLY 4 Ca -0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 1x4x s GLY 4 CO 0.10 -0.42 0.29 -0.45 0.00 0.00 0.00 173.10 172.61 1x4x s SER 5 N -1.27 6.40 -0.47 1.64 0.15 -1.26 -5.00 113.70 113.88 1x4x s SER 5 Ca -0.14 0.46 -0.27 0.00 0.70 0.00 0.00 55.95 56.71 1x4x s SER 5 Cb -0.08 -2.18 -0.07 0.00 -1.71 0.00 0.00 66.02 61.98 1x4x s SER 5 CO 0.00 0.08 2.40 -0.24 1.20 0.00 0.00 173.24 176.68 1x4x n SER 6 N 3.75 2.38 0.00 5.45 2.88 -1.26 -4.59 113.62 122.23 1x4x n SER 6 Ca -0.12 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1x4x n SER 6 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1x4x n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4x n GLY 7 N 6.00 2.59 0.00 0.46 0.00 -1.26 -4.99 105.19 107.99 1x4x n GLY 7 Ca 0.37 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1x4x n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 8 N 1.12 -0.91 -3.93 1.61 -0.04 -1.26 -4.98 135.00 126.61 1x4x n PRO 8 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1x4x n PRO 8 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1x4x n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4x s ASP 9 N -1.51 6.01 0.41 3.54 1.01 -1.26 -4.94 116.67 119.92 1x4x s ASP 9 Ca 0.00 -0.08 -0.22 0.00 0.71 0.00 0.00 52.55 52.96 1x4x s ASP 9 Cb 0.00 -1.60 -0.13 0.00 1.01 0.00 0.00 42.92 42.19 1x4x s ASP 9 CO 0.00 -0.13 0.43 1.67 0.21 0.00 0.00 175.17 177.35 1x4x n GLN 10 N -1.38 0.41 -3.35 8.23 7.27 -1.26 -4.84 117.38 122.45 1x4x n GLN 10 Ca -0.07 0.15 -0.35 0.00 0.07 0.00 0.00 57.00 56.80 1x4x n GLN 10 Cb 0.58 -1.36 -0.06 0.00 2.41 0.00 0.00 30.24 31.81 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 -2.04 3.91 0.18 0.00 -0.14 -1.26 -3.94 119.74 116.46 1x4x s LYS 12 Ca 0.39 0.70 -0.30 0.00 -1.36 0.00 0.00 55.97 55.40 1x4x s LYS 12 Cb -0.15 -2.31 -0.08 0.00 -1.68 0.00 0.00 37.83 33.61 1x4x s LYS 12 CO 0.19 -0.06 1.32 -1.25 -0.76 0.00 0.00 175.35 174.79 1x4x s PRO 13 N -3.66 4.38 0.84 -1.68 0.04 -1.26 -4.75 135.00 128.91 1x4x s PRO 13 Ca 0.55 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 1x4x s PRO 13 Cb -0.10 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.32 1x4x s PRO 13 CO 0.27 -0.28 1.09 -1.25 0.04 0.00 0.00 177.00 176.87 1x4x s PRO 14 N 0.12 1.74 -0.36 0.56 0.04 -1.26 -4.96 135.00 130.89 1x4x s PRO 14 Ca 0.58 0.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1x4x s PRO 14 Cb -0.36 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1x4x s PRO 14 CO 0.37 -1.95 0.24 -1.14 0.04 0.00 0.00 177.00 174.56 1x4x s GLN 15 N -4.92 3.28 0.15 4.56 0.74 -0.04 -4.86 119.66 118.57 1x4x s GLN 15 Ca 0.62 -0.79 -0.23 0.00 0.05 0.00 0.00 55.36 55.02 1x4x s GLN 15 Cb -0.18 -3.82 -0.08 0.00 1.10 0.00 0.00 33.01 30.04 1x4x s GLN 15 CO 0.56 -0.54 0.71 0.14 -0.55 0.00 0.00 175.29 175.61 1x4x s VAL 16 N 1.69 4.51 -0.38 1.34 -7.23 -1.26 -3.09 120.40 115.96 1x4x s VAL 16 Ca 0.05 1.49 0.01 0.00 -1.81 0.00 0.00 61.98 61.72 1x4x s VAL 16 Cb -0.18 -4.02 0.13 0.00 0.56 0.00 0.00 36.38 32.87 1x4x s VAL 16 CO 0.10 0.47 0.21 -0.89 -0.31 0.00 0.00 175.10 174.68 1x4x s THR 17 N -1.21 0.77 -0.77 5.32 2.01 -0.22 -4.97 115.64 116.57 1x4x s THR 17 Ca 0.35 -2.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.05 1x4x s THR 17 Cb -0.21 -1.56 -0.15 0.00 0.01 0.00 0.00 72.50 70.59 1x4x s THR 17 CO 0.23 -0.91 2.56 0.00 -0.69 0.00 0.00 174.62 175.82 1x4x h ARG 19 N 15.39 0.48 0.00 0.00 2.47 -1.54 -3.48 114.38 127.70 1x4x h ARG 19 Ca -0.13 -0.29 0.21 0.00 -1.26 0.00 0.00 59.98 58.51 1x4x h ARG 19 Cb 1.29 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 1x4x h ARG 19 CO 1.29 0.89 0.68 0.45 0.56 0.00 0.00 179.97 183.83 1x4x n SER 20 N -3.96 -1.58 -0.02 7.04 2.88 -0.25 -4.87 113.62 112.85 1x4x n SER 20 Ca -0.03 -1.73 0.17 0.00 -1.33 0.00 0.00 58.87 55.96 1x4x n SER 20 Cb 0.59 2.55 0.63 0.00 -0.75 0.00 0.00 64.21 67.22 1x4x n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4x h ALA 21 N 2.00 2.34 0.00 -1.46 0.00 -1.93 -2.02 119.26 118.19 1x4x h ALA 21 Ca -0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1x4x h ALA 21 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1x4x h ALA 21 CO 0.35 -0.48 -0.26 0.25 0.00 0.00 0.00 179.25 179.10 1x4x n THR 22 N -4.42 1.33 -4.29 0.00 -2.24 -1.26 -2.76 114.28 100.63 1x4x n THR 22 Ca 0.10 -1.73 -0.18 0.00 -2.27 0.00 0.00 64.05 59.97 1x4x n THR 22 Cb 0.53 0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.35 -0.53 0.02 0.00 0.00 0.38 -1.09 121.76 120.20 1x4x s ALA 24 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1x4x s ALA 24 Cb -0.04 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1x4x s ALA 24 CO -0.00 -0.46 -0.08 -1.14 0.00 0.00 0.00 175.76 174.08 1x4x s GLN 25 N -3.07 0.55 0.14 0.00 0.74 -1.10 -0.60 119.66 116.32 1x4x s GLN 25 Ca -0.01 -0.54 0.05 0.00 0.05 0.00 0.00 55.36 54.91 1x4x s GLN 25 Cb 0.01 -0.44 -0.04 0.00 1.10 0.00 0.00 33.01 33.64 1x4x s GLN 25 CO -0.07 0.10 -0.12 0.08 -0.55 0.00 0.00 175.29 174.73 1x4x s VAL 26 N -0.81 1.28 -0.24 1.34 1.01 -1.02 -1.06 120.40 120.90 1x4x s VAL 26 Ca -0.04 -1.87 -0.13 0.00 0.00 0.00 0.00 61.98 59.94 1x4x s VAL 26 Cb -0.07 -1.67 0.08 0.00 0.00 0.00 0.00 36.38 34.72 1x4x s VAL 26 CO 0.00 -0.56 0.59 0.20 0.00 0.00 0.00 175.10 175.33 1x4x s ASN 27 N -2.78 -0.79 0.42 3.32 0.01 -1.18 -3.16 114.94 110.78 1x4x s ASN 27 Ca 0.13 1.30 0.01 0.00 -0.71 0.00 0.00 52.86 53.58 1x4x s ASN 27 Cb -0.02 1.24 -0.00 0.00 0.41 0.00 0.00 41.25 42.88 1x4x s ASN 27 CO 0.02 -0.22 0.03 -2.67 -1.51 0.00 0.00 177.10 172.75 1x4x n TRP 28 N 4.42 0.79 -4.15 2.20 2.14 -1.21 -0.86 117.44 120.77 1x4x n TRP 28 Ca -0.20 -2.23 -0.13 0.00 2.07 0.00 0.00 57.50 57.01 1x4x n TRP 28 Cb 0.57 -0.22 -0.08 0.00 -0.81 0.00 0.00 31.31 30.77 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 -3.55 1.46 -0.23 -2.67 2.02 -1.26 -4.85 118.70 109.62 1x4x s GLU 29 Ca 0.05 -1.60 -0.12 0.00 0.02 0.00 0.00 54.97 53.31 1x4x s GLU 29 Cb 0.00 0.35 -0.05 0.00 0.10 0.00 0.00 34.13 34.54 1x4x s GLU 29 CO 0.03 -0.54 0.23 0.08 0.02 0.00 0.00 175.26 175.08 1x4x s VAL 30 N -3.88 5.31 1.02 2.63 1.01 -1.26 -4.75 120.40 120.49 1x4x s VAL 30 Ca 0.34 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 1x4x s VAL 30 Cb 0.03 -3.57 0.20 0.00 0.00 0.00 0.00 36.38 33.05 1x4x s VAL 30 CO 0.14 0.32 1.09 -2.16 0.00 0.00 0.00 175.10 174.50 1x4x s PRO 31 N 1.13 0.22 -0.47 2.72 0.04 -1.26 -4.87 135.00 132.51 1x4x s PRO 31 Ca 0.11 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.34 1x4x s PRO 31 Cb -0.14 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1x4x s PRO 31 CO 0.05 -2.86 2.31 -1.17 0.04 0.00 0.00 177.00 175.38 1x4x s LEU 32 N -6.52 3.40 -0.59 -3.56 2.96 -1.26 -4.89 118.68 108.22 1x4x s LEU 32 Ca 0.66 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 55.71 1x4x s LEU 32 Cb -0.18 -2.65 0.15 0.00 0.50 0.00 0.00 46.19 44.01 1x4x s LEU 32 CO 0.58 -2.69 0.37 -0.44 -1.32 0.00 0.00 176.35 172.84 1x4x s SER 33 N 11.15 4.30 -0.70 3.68 0.01 -1.26 -4.21 113.70 126.67 1x4x s SER 33 Ca 0.94 -3.37 -0.05 0.00 1.31 0.00 0.00 55.95 54.78 1x4x s SER 33 Cb -0.18 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1x4x s SER 33 CO 0.27 -0.16 2.87 -0.46 0.41 0.00 0.00 173.24 176.16 1x4x n ASN 34 N 2.61 6.86 0.00 2.44 0.23 -1.26 -4.40 115.26 121.74 1x4x n ASN 34 Ca 0.14 -2.98 0.00 0.00 -0.53 0.00 0.00 54.58 51.21 1x4x n ASN 34 Cb 0.35 -1.34 0.00 0.00 -2.08 0.00 0.00 39.78 36.71 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x4x n GLY 35 N 1.69 -1.55 3.76 4.83 0.00 -1.26 -5.02 105.19 107.63 1x4x n GLY 35 Ca 0.54 0.56 -0.40 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 4.41 -0.25 2.61 -4.23 -1.26 -5.05 115.64 111.87 1x4x s THR 36 Ca 0.00 1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 62.22 1x4x s THR 36 Cb 0.00 -4.19 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 1x4x s THR 36 CO 0.00 0.46 0.13 -1.81 -0.54 0.00 0.00 174.62 172.86 1x4x s ASP 37 N -0.78 5.72 -0.37 3.99 1.11 -1.26 -4.79 116.67 120.28 1x4x s ASP 37 Ca 0.39 -0.03 -0.30 0.00 0.18 0.00 0.00 52.55 52.78 1x4x s ASP 37 Cb -0.23 -2.03 -0.09 0.00 1.07 0.00 0.00 42.92 41.64 1x4x s ASP 37 CO 0.27 0.01 2.29 0.52 1.18 0.00 0.00 175.17 179.44 1x4x n VAL 38 N 4.63 0.17 0.21 -1.27 0.31 -1.26 -4.68 118.33 116.44 1x4x n VAL 38 Ca -0.15 -0.45 -0.08 0.00 -0.01 0.00 0.00 64.34 63.64 1x4x n VAL 38 Cb 0.52 -2.21 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 1x4x n VAL 38 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1x4x h THR 39 N 7.32 0.00 -3.84 2.52 1.35 -0.92 -3.48 112.91 115.86 1x4x h THR 39 Ca -0.30 -0.04 -0.50 0.00 -0.55 0.00 0.00 66.41 65.02 1x4x h THR 39 Cb 1.28 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.56 1x4x h THR 39 CO 1.05 0.00 -0.51 -1.83 -0.25 0.00 0.00 175.52 173.98 1x4x s GLU 40 N -4.03 1.80 -0.16 4.72 1.03 -1.25 -4.44 118.70 116.38 1x4x s GLU 40 Ca -0.08 -2.07 -0.02 0.00 0.03 0.00 0.00 54.97 52.83 1x4x s GLU 40 Cb 0.01 -0.11 0.05 0.00 -0.80 0.00 0.00 34.13 33.28 1x4x s GLU 40 CO 0.24 -0.56 0.00 0.71 -1.33 0.00 0.00 175.26 174.32 1x4x s TYR 41 N -3.38 1.15 -0.48 4.83 1.51 -0.60 -2.85 117.35 117.53 1x4x s TYR 41 Ca 0.33 -0.76 -0.20 0.00 -1.01 0.00 0.00 57.07 55.43 1x4x s TYR 41 Cb 0.03 -1.06 0.04 0.00 -0.11 0.00 0.00 41.96 40.86 1x4x s TYR 41 CO 0.21 -0.54 0.66 1.03 -1.11 0.00 0.00 175.55 175.79 1x4x s ARG 42 N 1.82 3.21 -0.24 -0.62 0.52 -1.23 -2.76 118.95 119.64 1x4x s ARG 42 Ca 0.01 -0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 1x4x s ARG 42 Cb -0.15 -4.03 -0.05 0.00 0.52 0.00 0.00 34.95 31.24 1x4x s ARG 42 CO -0.07 -1.15 0.15 -1.17 0.02 0.00 0.00 175.30 173.08 1x4x s LEU 43 N 2.83 4.02 -0.14 2.53 2.96 -0.37 -3.56 118.68 126.94 1x4x s LEU 43 Ca 0.20 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1x4x s LEU 43 Cb -0.16 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1x4x s LEU 43 CO 0.16 0.04 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.52 1x4x s GLU 44 N 1.18 3.47 -0.12 1.98 2.02 -1.05 -0.35 118.70 125.82 1x4x s GLU 44 Ca 0.07 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.42 1x4x s GLU 44 Cb -0.14 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.37 1x4x s GLU 44 CO 0.05 0.19 -0.09 -0.46 0.02 0.00 0.00 175.26 174.98 1x4x s TRP 45 N 0.43 1.63 -0.08 1.61 -0.11 -1.00 -2.42 118.94 119.00 1x4x s TRP 45 Ca -0.08 -0.85 -0.04 0.00 1.22 0.00 0.00 56.10 56.36 1x4x s TRP 45 Cb -0.15 -1.31 0.04 0.00 -1.50 0.00 0.00 33.47 30.55 1x4x s TRP 45 CO 0.04 -0.55 0.18 0.20 -4.62 0.00 0.00 176.95 172.20 1x4x s GLY 46 N 1.66 -0.06 0.35 5.86 0.00 -1.05 -4.21 107.32 109.87 1x4x s GLY 46 Ca 0.05 0.78 0.15 0.00 0.00 0.00 0.00 44.72 45.71 1x4x s GLY 46 CO -0.09 1.12 1.61 -1.33 0.00 0.00 0.00 173.10 174.41 1x4x h GLY 47 N 7.28 2.03 -5.90 0.20 0.00 -1.79 -2.68 103.07 102.21 1x4x h GLY 47 Ca -0.41 -0.14 -0.67 0.00 0.00 0.00 0.00 47.33 46.11 1x4x h GLY 47 CO 0.40 -0.64 -0.83 0.14 0.00 0.00 0.00 176.54 175.60 1x4x s VAL 48 N -5.65 2.38 0.54 4.60 1.01 -1.26 -3.40 120.40 118.62 1x4x s VAL 48 Ca -0.10 -0.86 0.39 0.00 0.00 0.00 0.00 61.98 61.41 1x4x s VAL 48 Cb 0.32 -1.99 0.58 0.00 0.00 0.00 0.00 36.38 35.29 1x4x s VAL 48 CO 0.78 0.53 1.77 1.05 0.00 0.00 0.00 175.10 179.23 1x4x h GLU 49 N 7.45 0.01 -0.79 2.72 4.11 -1.94 0.38 114.58 126.51 1x4x h GLU 49 Ca -0.35 -0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.14 1x4x h GLU 49 Cb 1.18 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1x4x h GLU 49 CO 0.58 0.01 0.52 0.78 0.07 0.00 0.00 179.01 180.96 1x4x h GLY 50 N 0.01 1.10 -6.93 1.06 0.00 -1.94 -3.39 103.07 92.98 1x4x h GLY 50 Ca 0.63 -0.36 -0.55 0.00 0.00 0.00 0.00 47.33 47.05 1x4x h GLY 50 CO -0.02 0.27 -0.80 -0.56 0.00 0.00 0.00 176.54 175.44 1x4x s SER 51 N -6.16 2.66 -0.02 0.19 0.01 0.13 -5.12 113.70 105.39 1x4x s SER 51 Ca -0.11 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1x4x s SER 51 Cb 0.19 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.54 1x4x s SER 51 CO 0.78 -0.17 0.04 -0.04 0.41 0.00 0.00 173.24 174.27 1x4x s MET 52 N 1.65 0.03 0.24 12.44 -1.94 -1.26 -4.25 119.30 126.21 1x4x s MET 52 Ca 0.02 0.09 0.07 0.00 -1.71 0.00 0.00 55.69 54.16 1x4x s MET 52 Cb -0.14 -0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.60 1x4x s MET 52 CO -0.08 -0.04 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.14 1x4x s GLN 53 N 0.28 1.41 0.33 2.03 -1.52 -1.26 -4.94 119.66 116.00 1x4x s GLN 53 Ca -0.02 -1.67 -0.29 0.00 -1.95 0.00 0.00 55.36 51.43 1x4x s GLN 53 Cb -0.03 -1.07 -0.11 0.00 -0.22 0.00 0.00 33.01 31.58 1x4x s GLN 53 CO -0.01 0.09 1.50 0.42 -0.25 0.00 0.00 175.29 177.04 1x4x s ILE 54 N -3.04 2.18 0.00 1.08 -1.09 -1.26 -2.39 121.20 116.67 1x4x s ILE 54 Ca 0.26 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1x4x s ILE 54 Cb 0.02 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1x4x s ILE 54 CO 0.09 0.03 0.00 0.00 -1.23 0.00 0.00 174.94 173.83 1x4x s TYR 56 N -1.77 -0.10 -0.06 0.00 6.14 -1.14 -5.03 117.35 115.40 1x4x s TYR 56 Ca 0.00 0.28 -0.01 0.00 0.64 0.00 0.00 57.07 57.97 1x4x s TYR 56 Cb 0.00 -0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.40 1x4x s TYR 56 CO 0.00 -0.07 0.02 0.00 0.64 0.00 0.00 175.55 176.13 1x4x n GLY 58 N 5.09 1.89 0.27 0.00 0.00 -1.11 -4.91 105.19 106.42 1x4x n GLY 58 Ca -0.08 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.00 1x4x n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 59 N 0.00 0.00 -6.35 1.61 0.13 -1.89 -1.59 132.00 123.91 1x4x h PRO 59 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1x4x h PRO 59 Cb 0.00 0.00 0.22 0.00 0.13 0.00 0.00 31.00 31.35 1x4x h PRO 59 CO 0.00 0.05 -1.25 0.41 -0.23 0.00 0.00 178.00 176.98 1x4x n GLY 60 N -0.03 -3.40 0.46 1.56 0.00 -1.26 -4.89 105.19 97.63 1x4x n GLY 60 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 1.36 1.90 -3.66 0.99 4.77 -1.26 -4.89 117.00 116.21 1x4x n LEU 61 Ca 0.02 -2.84 -0.08 0.00 -0.03 0.00 0.00 56.01 53.08 1x4x n LEU 61 Cb 0.54 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1x4x n LEU 61 CO 0.52 0.81 0.22 -0.94 -1.33 0.00 0.00 177.39 176.67 1x4x s SER 62 N -2.56 -0.77 -0.08 -1.43 1.04 -1.26 -3.29 113.70 105.34 1x4x s SER 62 Ca 0.29 1.27 -0.03 0.00 0.48 0.00 0.00 55.95 57.95 1x4x s SER 62 Cb 0.27 1.24 0.04 0.00 0.10 0.00 0.00 66.02 67.68 1x4x s SER 62 CO -0.03 -0.22 0.17 -0.47 0.98 0.00 0.00 173.24 173.67 1x4x s TYR 63 N 1.72 -0.21 -0.20 5.02 5.04 -1.19 -5.07 117.35 122.46 1x4x s TYR 63 Ca -0.09 0.59 -0.15 0.00 -2.44 0.00 0.00 57.07 54.98 1x4x s TYR 63 Cb -0.07 -0.08 -0.04 0.00 0.35 0.00 0.00 41.96 42.11 1x4x s TYR 63 CO -0.17 -0.20 0.35 -2.00 -1.34 0.00 0.00 175.55 172.19 1x4x s GLU 64 N 1.42 4.18 -0.07 4.97 2.12 -1.26 -2.44 118.70 127.61 1x4x s GLU 64 Ca -0.07 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 1x4x s GLU 64 Cb -0.11 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1x4x s GLU 64 CO -0.07 0.03 -0.02 0.42 -0.54 0.00 0.00 175.26 175.08 1x4x s ILE 65 N 1.11 4.11 0.34 -3.70 1.01 0.23 -5.02 121.20 119.28 1x4x s ILE 65 Ca 0.17 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1x4x s ILE 65 Cb -0.14 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1x4x s ILE 65 CO 0.07 0.58 0.37 0.29 0.00 0.00 0.00 174.94 176.25 1x4x n LYS 66 N 2.10 0.53 -2.61 2.79 5.02 -1.26 -0.47 118.16 124.25 1x4x n LYS 66 Ca -0.18 -3.07 -0.09 0.00 -2.02 0.00 0.00 58.31 52.95 1x4x n LYS 66 Cb 0.53 2.69 0.02 0.00 -0.02 0.00 0.00 35.03 38.25 1x4x n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4x n GLY 67 N -0.60 0.24 4.03 0.72 0.00 -0.72 -4.97 105.19 103.87 1x4x n GLY 67 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1x4x n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4x s LEU 68 N -2.99 3.20 -0.03 0.99 1.43 -0.99 -5.06 118.68 115.22 1x4x s LEU 68 Ca 0.14 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1x4x s LEU 68 Cb -0.06 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1x4x s LEU 68 CO 0.17 -1.22 -0.06 -0.55 0.23 0.00 0.00 176.35 174.92 1x4x s SER 69 N -4.59 4.69 0.60 2.29 0.15 -1.26 -4.39 113.70 111.18 1x4x s SER 69 Ca 0.60 -0.07 -0.17 0.00 0.70 0.00 0.00 55.95 57.00 1x4x s SER 69 Cb -0.06 -1.15 -0.03 0.00 -1.71 0.00 0.00 66.02 63.06 1x4x s SER 69 CO 0.37 0.32 1.12 -2.16 1.20 0.00 0.00 173.24 174.10 1x4x s PRO 70 N -1.13 3.10 -1.39 5.44 0.04 -1.11 -3.69 135.00 136.26 1x4x s PRO 70 Ca 0.15 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 1x4x s PRO 70 Cb -0.11 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1x4x s PRO 70 CO 0.05 -1.03 0.60 0.00 0.04 0.00 0.00 177.00 176.65 1x4x n ALA 71 N -1.81 -1.92 -2.88 8.56 0.00 0.23 -4.83 120.51 117.86 1x4x n ALA 71 Ca 0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 1x4x n ALA 71 Cb 0.51 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.82 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 -3.76 0.43 0.27 0.00 2.01 -1.23 -4.91 115.64 108.45 1x4x s THR 72 Ca 0.09 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 1x4x s THR 72 Cb -0.05 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.99 1x4x s THR 72 CO 0.85 0.13 0.98 -0.89 -0.69 0.00 0.00 174.62 175.00 1x4x s THR 73 N 0.02 3.96 0.12 -0.82 2.01 -1.26 -1.87 115.64 117.79 1x4x s THR 73 Ca 0.00 1.89 -0.00 0.00 0.31 0.00 0.00 61.69 63.89 1x4x s THR 73 Cb -0.04 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1x4x s THR 73 CO -0.00 0.39 0.02 -0.31 -0.69 0.00 0.00 174.62 174.03 1x4x s TYR 74 N -1.27 0.84 0.04 4.92 2.02 0.88 -4.43 117.35 120.34 1x4x s TYR 74 Ca 0.44 -1.16 -0.04 0.00 -0.37 0.00 0.00 57.07 55.95 1x4x s TYR 74 Cb -0.26 -0.49 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 1x4x s TYR 74 CO 0.32 -0.43 0.05 0.71 -1.57 0.00 0.00 175.55 174.63 1x4x s TYR 75 N -3.95 0.28 -0.15 2.71 1.51 -1.01 -0.50 117.35 116.24 1x4x s TYR 75 Ca 0.20 -0.63 -0.13 0.00 -1.01 0.00 0.00 57.07 55.50 1x4x s TYR 75 Cb 0.07 -0.20 0.04 0.00 -0.11 0.00 0.00 41.96 41.76 1x4x s TYR 75 CO -0.01 -0.34 0.40 0.00 -1.11 0.00 0.00 175.55 174.49 1x4x s ARG 77 N 0.49 -0.04 0.02 0.00 1.70 -1.01 -2.70 118.95 117.40 1x4x s ARG 77 Ca -0.02 0.23 0.06 0.00 -0.47 0.00 0.00 55.73 55.52 1x4x s ARG 77 Cb -0.04 -0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.02 1x4x s ARG 77 CO -0.02 -0.19 -0.16 0.54 -1.08 0.00 0.00 175.30 174.38 1x4x s VAL 78 N 1.25 2.94 0.07 4.99 0.11 -1.26 -2.53 120.40 125.97 1x4x s VAL 78 Ca -0.07 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1x4x s VAL 78 Cb -0.13 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1x4x s VAL 78 CO -0.03 0.39 -0.06 0.00 -3.33 0.00 0.00 175.10 172.07 1x4x s GLN 79 N -1.30 0.71 -0.22 1.54 -2.07 -1.23 -2.37 119.66 114.72 1x4x s GLN 79 Ca 0.14 -1.17 -0.06 0.00 -1.82 0.00 0.00 55.36 52.45 1x4x s GLN 79 Cb -0.11 -0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.66 1x4x s GLN 79 CO 0.05 -0.02 0.04 0.00 -1.32 0.00 0.00 175.29 174.03 1x4x s ALA 80 N -3.16 3.12 -0.08 2.60 0.00 -1.26 -3.54 121.76 119.43 1x4x s ALA 80 Ca 0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1x4x s ALA 80 Cb 0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1x4x s ALA 80 CO -0.05 -0.26 0.11 -0.51 0.00 0.00 0.00 175.76 175.06 1x4x s LEU 81 N 1.19 4.15 0.00 0.00 1.02 -1.13 -0.87 118.68 123.05 1x4x s LEU 81 Ca 0.04 0.35 0.01 0.00 0.02 0.00 0.00 54.13 54.54 1x4x s LEU 81 Cb -0.14 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 43.95 1x4x s LEU 81 CO 0.02 0.37 0.04 -1.54 0.02 0.00 0.00 176.35 175.26 1x4x n SER 82 N 1.78 1.93 -0.22 2.29 3.41 -0.34 -0.18 113.62 122.29 1x4x n SER 82 Ca -0.18 -2.16 0.12 0.00 -0.26 0.00 0.00 58.87 56.39 1x4x n SER 82 Cb 0.54 0.37 0.28 0.00 -0.26 0.00 0.00 64.21 65.14 1x4x n SER 82 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x4x n VAL 83 N -0.58 0.00 0.38 -3.33 0.24 -1.26 -3.85 118.33 109.94 1x4x n VAL 83 Ca -0.07 -0.12 0.04 0.00 -2.04 0.00 0.00 64.34 62.15 1x4x n VAL 83 Cb 0.33 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 33.20 1x4x n VAL 83 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1x4x n VAL 84 N -0.76 0.00 -3.40 3.34 3.14 -1.26 -5.09 118.33 114.30 1x4x n VAL 84 Ca 0.10 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1x4x n VAL 84 Cb 0.36 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 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 0.92 -0.52 2.77 7.55 0.00 -1.25 -4.85 105.19 109.80 1x4x n GLY 85 Ca 0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x s ALA 86 N -1.00 0.08 0.70 4.61 0.00 -1.26 -1.19 121.76 123.70 1x4x s ALA 86 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1x4x s ALA 86 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1x4x s ALA 86 CO 0.00 -0.13 1.06 0.20 0.00 0.00 0.00 175.76 176.89 1x4x s GLY 87 N 1.15 1.67 0.88 0.00 0.00 -0.05 -5.00 107.32 105.97 1x4x s GLY 87 Ca -0.08 0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 1x4x s GLY 87 CO -0.03 0.39 1.09 2.56 0.00 0.00 0.00 173.10 177.11 1x4x s PRO 88 N -5.04 1.35 -0.03 2.90 0.04 -1.26 -4.49 135.00 128.47 1x4x s PRO 88 Ca 0.58 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 1x4x s PRO 88 Cb -0.14 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1x4x s PRO 88 CO 0.55 -2.19 0.83 -0.06 0.04 0.00 0.00 177.00 176.17 1x4x s PHE 89 N -2.93 3.63 1.16 0.56 0.08 -1.26 -4.18 117.98 115.04 1x4x s PHE 89 Ca 0.63 1.47 -0.18 0.00 0.12 0.00 0.00 56.93 58.98 1x4x s PHE 89 Cb -0.18 -2.95 0.19 0.00 -0.57 0.00 0.00 43.02 39.52 1x4x s PHE 89 CO 0.57 0.06 0.35 -1.13 -0.10 0.00 0.00 175.22 174.97 1x4x n SER 90 N 3.75 -2.70 -4.63 1.36 3.41 -1.00 -4.80 113.62 109.01 1x4x n SER 90 Ca 0.02 -0.31 -0.43 0.00 -0.26 0.00 0.00 58.87 57.89 1x4x n SER 90 Cb 0.51 -0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.82 3.73 -0.27 4.33 2.02 -1.26 -4.80 118.70 118.62 1x4x s GLU 91 Ca 0.55 2.06 -0.42 0.00 0.02 0.00 0.00 54.97 57.18 1x4x s GLU 91 Cb -0.13 -4.17 -0.18 0.00 0.10 0.00 0.00 34.13 29.76 1x4x s GLU 91 CO 0.57 -1.40 1.51 0.28 0.02 0.00 0.00 175.26 176.24 1x4x n VAL 92 N 6.49 0.09 -3.60 2.63 0.31 -1.26 -4.69 118.33 118.31 1x4x n VAL 92 Ca 0.22 -0.02 -0.40 0.00 -0.01 0.00 0.00 64.34 64.13 1x4x n VAL 92 Cb 0.44 -0.66 -0.10 0.00 -0.91 0.00 0.00 33.84 32.61 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 2.29 4.28 0.32 2.52 1.01 -1.10 -4.97 120.40 124.75 1x4x s VAL 93 Ca 0.98 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1x4x s VAL 93 Cb -1.26 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 31.42 1x4x s VAL 93 CO 0.68 -0.49 0.81 0.00 0.00 0.00 0.00 175.10 176.10 1x4x s ALA 94 N 1.44 3.26 -0.23 5.51 0.00 -1.26 -2.79 121.76 127.70 1x4x s ALA 94 Ca 0.03 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 1x4x s ALA 94 Cb -0.23 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 20.04 1x4x s ALA 94 CO 0.02 0.26 0.56 0.00 0.00 0.00 0.00 175.76 176.61 1x4x s VAL 96 N 1.22 4.00 0.46 0.00 1.01 -1.26 -0.09 120.40 125.74 1x4x s VAL 96 Ca -0.07 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1x4x s VAL 96 Cb -0.06 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 1x4x s VAL 96 CO -0.12 0.51 0.97 0.42 0.00 0.00 0.00 175.10 176.88 1x4x s THR 97 N 0.10 4.39 0.57 3.92 -4.23 -0.78 -4.89 115.64 114.72 1x4x s THR 97 Ca -0.00 1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 61.71 1x4x s THR 97 Cb -0.13 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1x4x s THR 97 CO 0.03 -0.42 1.12 -2.16 -0.54 0.00 0.00 174.62 172.65 1x4x s PRO 98 N -3.44 3.21 0.22 3.99 0.04 -1.26 -0.60 135.00 137.16 1x4x s PRO 98 Ca 0.61 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1x4x s PRO 98 Cb -0.10 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1x4x s PRO 98 CO 0.19 -0.95 1.29 -1.25 0.04 0.00 0.00 177.00 176.32 1x4x s PRO 99 N -3.49 4.41 -0.45 0.56 0.04 -1.26 -2.27 135.00 132.53 1x4x s PRO 99 Ca 0.71 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.83 1x4x s PRO 99 Cb -0.23 -3.18 0.13 0.00 0.04 0.00 0.00 34.50 31.25 1x4x s PRO 99 CO 0.31 -0.20 0.22 0.45 0.04 0.00 0.00 177.00 177.81 1x4x s SER 100 N 0.15 4.04 0.24 6.66 0.15 -1.26 -4.90 113.70 118.78 1x4x s SER 100 Ca 0.55 -2.64 0.03 0.00 0.70 0.00 0.00 55.95 54.58 1x4x s SER 100 Cb -0.36 -1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 62.58 1x4x s SER 100 CO 0.40 -0.28 0.02 -0.94 1.20 0.00 0.00 173.24 173.65 1x4x s SER 101 N 0.27 1.73 0.00 5.45 1.04 -1.26 -4.99 113.70 115.93 1x4x s SER 101 Ca 0.16 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1x4x s SER 101 Cb -0.24 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1x4x s SER 101 CO -0.03 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1x4x n GLY 102 N -0.45 1.41 3.69 7.32 0.00 -1.26 -5.14 105.19 110.77 1x4x n GLY 102 Ca -0.04 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 0.03 4.28 -0.59 1.61 0.04 -1.26 -4.99 135.00 134.13 1x4x s PRO 103 Ca 0.00 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1x4x s PRO 103 Cb 0.00 -3.51 0.14 0.00 0.04 0.00 0.00 34.50 31.18 1x4x s PRO 103 CO 0.00 -0.56 0.54 -1.12 0.04 0.00 0.00 177.00 175.90 1x4x s SER 104 N 1.78 6.27 0.59 6.66 0.01 -1.26 -5.06 113.70 122.70 1x4x s SER 104 Ca 0.65 -1.95 -0.20 0.00 1.31 0.00 0.00 55.95 55.76 1x4x s SER 104 Cb -0.33 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1x4x s SER 104 CO 0.28 -0.81 1.32 -0.94 0.41 0.00 0.00 173.24 173.50 1x4x s SER 105 N 3.33 4.99 0.00 2.44 1.04 -1.26 -5.37 113.70 118.88 1x4x s SER 105 Ca 0.06 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1x4x s SER 105 Cb -0.27 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.23 1x4x s SER 105 CO 0.01 -1.75 0.00 0.61 0.98 0.00 0.00 173.24 173.09