#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 3.37 -0.25 1.61 1.04 -1.26 -4.99 113.70 113.22 1x4x s SER 2 Ca 0.00 2.11 -0.12 0.00 0.48 0.00 0.00 55.95 58.42 1x4x s SER 2 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1x4x s SER 2 CO 0.00 -2.80 0.21 -0.44 0.98 0.00 0.00 173.24 171.19 1x4x s SER 3 N -2.82 6.14 0.00 7.02 0.01 -1.26 -4.68 113.70 118.10 1x4x s SER 3 Ca 0.66 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x4x s SER 3 Cb -0.22 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1x4x s SER 3 CO 0.57 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1x4x n GLY 4 N 4.49 0.45 0.33 3.44 0.00 -1.26 -5.04 105.19 107.59 1x4x n GLY 4 Ca -0.13 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 1x4x n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x4x h SER 5 N 0.00 -1.03 -3.59 1.61 0.02 -1.97 -3.46 113.55 105.14 1x4x h SER 5 Ca 0.00 0.17 -0.20 0.00 -0.84 0.00 0.00 61.79 60.92 1x4x h SER 5 Cb 0.00 0.47 0.08 0.00 0.14 0.00 0.00 62.40 63.09 1x4x h SER 5 CO 0.00 -0.33 -0.36 -0.24 -1.14 0.00 0.00 176.83 174.76 1x4x n SER 6 N -5.41 -3.90 0.00 3.07 2.88 -1.26 -4.91 113.62 104.09 1x4x n SER 6 Ca -0.00 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1x4x n SER 6 Cb 0.33 -2.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.92 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 -1.25 0.27 1.05 0.46 0.00 -1.26 -3.84 105.19 100.62 1x4x n GLY 7 Ca -0.02 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 -1.67 -2.84 1.61 -0.04 -1.26 -4.95 135.00 125.84 1x4x n PRO 8 Ca 0.00 -0.52 -0.26 0.00 -0.04 0.00 0.00 63.50 62.67 1x4x n PRO 8 Cb 0.00 -0.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -2.39 6.25 0.63 3.54 1.11 -1.26 -4.88 116.67 119.67 1x4x s ASP 9 Ca 0.21 0.78 -0.17 0.00 0.18 0.00 0.00 52.55 53.54 1x4x s ASP 9 Cb -0.02 -2.16 -0.12 0.00 1.07 0.00 0.00 42.92 41.69 1x4x s ASP 9 CO 0.16 -0.51 -0.04 1.67 1.18 0.00 0.00 175.17 177.63 1x4x n GLN 10 N -2.13 0.12 -3.69 8.23 7.27 -1.26 -4.85 117.38 121.07 1x4x n GLN 10 Ca -0.01 0.05 -0.31 0.00 0.07 0.00 0.00 57.00 56.80 1x4x n GLN 10 Cb 0.55 -1.24 -0.04 0.00 2.41 0.00 0.00 30.24 31.92 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 -2.74 3.77 0.17 0.00 1.02 -1.26 -4.06 119.74 116.64 1x4x s LYS 12 Ca 0.40 0.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.41 1x4x s LYS 12 Cb -0.12 -2.53 -0.08 0.00 -0.52 0.00 0.00 37.83 34.58 1x4x s LYS 12 CO 0.25 0.14 1.32 -1.25 -0.92 0.00 0.00 175.35 174.90 1x4x s PRO 13 N -3.42 4.37 0.93 -1.68 0.04 -1.26 -4.81 135.00 129.17 1x4x s PRO 13 Ca 0.49 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1x4x s PRO 13 Cb -0.11 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 31.36 1x4x s PRO 13 CO 0.27 -0.30 1.09 -1.25 0.04 0.00 0.00 177.00 176.85 1x4x s PRO 14 N 0.29 1.01 -0.35 0.56 0.04 -1.26 -4.96 135.00 130.33 1x4x s PRO 14 Ca 0.59 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.29 1x4x s PRO 14 Cb -0.36 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1x4x s PRO 14 CO 0.35 -2.39 0.14 -1.14 0.04 0.00 0.00 177.00 174.00 1x4x s GLN 15 N -4.94 2.70 0.19 4.56 0.74 0.94 -4.87 119.66 118.99 1x4x s GLN 15 Ca 0.64 -1.13 -0.28 0.00 0.05 0.00 0.00 55.36 54.64 1x4x s GLN 15 Cb -0.18 -3.54 -0.08 0.00 1.10 0.00 0.00 33.01 30.31 1x4x s GLN 15 CO 0.57 -0.67 0.87 0.14 -0.55 0.00 0.00 175.29 175.66 1x4x s VAL 16 N 1.45 4.26 -0.52 1.34 -7.23 -1.26 -2.57 120.40 115.87 1x4x s VAL 16 Ca -0.00 1.92 0.04 0.00 -1.81 0.00 0.00 61.98 62.13 1x4x s VAL 16 Cb -0.19 -4.25 0.17 0.00 0.56 0.00 0.00 36.38 32.67 1x4x s VAL 16 CO 0.04 0.48 0.39 -0.89 -0.31 0.00 0.00 175.10 174.81 1x4x s THR 17 N -1.00 1.34 -0.77 5.32 2.01 0.74 -4.96 115.64 118.33 1x4x s THR 17 Ca 0.39 -3.23 -0.29 0.00 0.31 0.00 0.00 61.69 58.87 1x4x s THR 17 Cb -0.24 -1.90 -0.15 0.00 0.01 0.00 0.00 72.50 70.21 1x4x s THR 17 CO 0.29 -1.13 2.56 0.00 -0.69 0.00 0.00 174.62 175.66 1x4x h ARG 19 N 15.15 0.59 0.00 0.00 3.08 -1.81 -3.48 114.38 127.91 1x4x h ARG 19 Ca -0.14 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 59.41 1x4x h ARG 19 Cb 1.29 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 1x4x h ARG 19 CO 1.28 1.03 0.15 0.43 -1.07 0.00 0.00 179.97 181.80 1x4x n SER 20 N -3.93 -1.91 -0.35 7.04 7.64 -1.03 -4.95 113.62 116.13 1x4x n SER 20 Ca -0.04 -2.55 0.04 0.00 1.01 0.00 0.00 58.87 57.32 1x4x n SER 20 Cb 0.66 3.24 0.19 0.00 -1.01 0.00 0.00 64.21 67.29 1x4x n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4x h ALA 21 N 2.00 1.39 -0.22 -0.43 0.00 -1.93 -2.33 119.26 117.74 1x4x h ALA 21 Ca -0.30 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1x4x h ALA 21 Cb 1.14 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1x4x h ALA 21 CO 0.38 0.33 -0.25 0.25 0.00 0.00 0.00 179.25 179.96 1x4x n THR 22 N -4.57 2.43 -3.90 0.00 -2.24 -1.26 -3.63 114.28 101.10 1x4x n THR 22 Ca 0.16 -2.97 -0.11 0.00 -2.27 0.00 0.00 64.05 58.86 1x4x n THR 22 Cb 0.24 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.54 -1.67 -0.05 0.00 0.00 0.13 -2.36 121.76 117.26 1x4x s ALA 24 Ca -0.06 2.04 0.04 0.00 0.00 0.00 0.00 51.96 53.97 1x4x s ALA 24 Cb -0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1x4x s ALA 24 CO -0.00 -0.33 -0.14 -1.14 0.00 0.00 0.00 175.76 174.15 1x4x s GLN 25 N 0.89 2.50 0.08 0.00 2.00 -1.14 -0.44 119.66 123.55 1x4x s GLN 25 Ca -0.04 -0.70 0.09 0.00 -2.00 0.00 0.00 55.36 52.70 1x4x s GLN 25 Cb -0.05 -2.38 -0.04 0.00 0.80 0.00 0.00 33.01 31.34 1x4x s GLN 25 CO -0.08 0.62 -0.21 0.08 -0.50 0.00 0.00 175.29 175.21 1x4x s VAL 26 N -0.75 2.62 -0.04 1.34 1.01 -0.99 -0.18 120.40 123.41 1x4x s VAL 26 Ca 0.12 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 1x4x s VAL 26 Cb -0.11 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.17 1x4x s VAL 26 CO 0.01 0.22 0.07 0.20 0.00 0.00 0.00 175.10 175.60 1x4x s ASN 27 N -1.75 0.00 0.34 3.32 0.01 -1.06 -3.30 114.94 112.50 1x4x s ASN 27 Ca 0.15 0.13 0.06 0.00 -0.71 0.00 0.00 52.86 52.50 1x4x s ASN 27 Cb -0.10 0.03 -0.02 0.00 0.41 0.00 0.00 41.25 41.56 1x4x s ASN 27 CO 0.07 -0.13 0.23 -2.67 -1.51 0.00 0.00 177.10 173.08 1x4x n TRP 28 N 4.17 -0.47 -4.07 2.20 2.14 -1.21 -0.04 117.44 120.16 1x4x n TRP 28 Ca -0.27 -2.62 -0.11 0.00 2.07 0.00 0.00 57.50 56.56 1x4x n TRP 28 Cb 0.51 0.18 -0.06 0.00 -0.81 0.00 0.00 31.31 31.14 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 -3.36 1.61 -0.11 -2.67 0.41 -1.26 -4.87 118.70 108.45 1x4x s GLU 29 Ca 0.32 -1.49 -0.11 0.00 -0.41 0.00 0.00 54.97 53.28 1x4x s GLU 29 Cb 0.02 0.43 -0.05 0.00 -1.78 0.00 0.00 34.13 32.74 1x4x s GLU 29 CO 0.23 -0.65 0.23 0.08 -0.49 0.00 0.00 175.26 174.66 1x4x s VAL 30 N -3.71 5.35 0.00 2.63 1.01 -1.26 -4.75 120.40 119.67 1x4x s VAL 30 Ca 0.28 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1x4x s VAL 30 Cb 0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1x4x s VAL 30 CO 0.13 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 174.96 1x4x n PRO 31 N 2.48 0.24 -3.39 2.72 -0.04 -1.26 -4.98 135.00 130.76 1x4x n PRO 31 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1x4x n PRO 31 Cb 0.53 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 1x4x n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x4x s LEU 32 N 0.00 4.80 -0.04 1.53 2.96 -1.26 -5.03 118.68 121.64 1x4x s LEU 32 Ca 0.00 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1x4x s LEU 32 Cb 0.00 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.41 1x4x s LEU 32 CO 0.00 -0.46 0.22 -0.94 -1.32 0.00 0.00 176.35 173.85 1x4x s SER 33 N 1.75 -0.15 0.07 3.68 1.04 -1.26 -4.23 113.70 114.60 1x4x s SER 33 Ca 0.10 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1x4x s SER 33 Cb -0.17 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1x4x s SER 33 CO 0.12 -0.25 0.00 0.59 0.98 0.00 0.00 173.24 174.68 1x4x n ASN 34 N 2.13 0.51 0.00 7.02 5.03 -1.26 -4.93 115.26 123.76 1x4x n ASN 34 Ca -0.18 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.38 1x4x n ASN 34 Cb 0.57 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x4x n GLY 35 N 3.02 -2.49 3.74 7.41 0.00 -1.26 -4.68 105.19 110.93 1x4x n GLY 35 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.45 4.63 -0.19 2.61 -4.23 -1.26 -5.05 115.64 109.70 1x4x s THR 36 Ca 0.00 1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 62.24 1x4x s THR 36 Cb 0.00 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 1x4x s THR 36 CO 0.00 0.35 0.05 -1.81 -0.54 0.00 0.00 174.62 172.67 1x4x s ASP 37 N -0.07 5.43 -0.29 3.99 1.01 -1.26 -4.77 116.67 120.71 1x4x s ASP 37 Ca 0.42 0.00 -0.33 0.00 0.71 0.00 0.00 52.55 53.35 1x4x s ASP 37 Cb -0.22 -1.93 -0.09 0.00 1.01 0.00 0.00 42.92 41.69 1x4x s ASP 37 CO 0.26 0.14 2.18 0.52 0.21 0.00 0.00 175.17 178.47 1x4x n VAL 38 N 3.78 0.26 0.22 -1.27 0.31 -1.26 -4.56 118.33 115.82 1x4x n VAL 38 Ca -0.17 -0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 63.76 1x4x n VAL 38 Cb 0.52 -1.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.47 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 6.99 0.00 -4.44 2.52 1.35 -0.41 -3.48 112.91 115.44 1x4x h THR 39 Ca -0.33 -0.35 -0.24 0.00 -0.55 0.00 0.00 66.41 64.95 1x4x h THR 39 Cb 1.29 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.58 1x4x h THR 39 CO 1.00 0.00 -0.50 -1.83 -0.25 0.00 0.00 175.52 173.94 1x4x s GLU 40 N -3.64 1.36 -0.16 4.72 -1.05 -1.24 -4.59 118.70 114.10 1x4x s GLU 40 Ca -0.09 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.12 1x4x s GLU 40 Cb 0.01 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 1x4x s GLU 40 CO 0.27 -0.48 -0.15 0.71 0.95 0.00 0.00 175.26 176.55 1x4x s TYR 41 N -4.00 2.34 -0.40 4.83 1.51 -0.90 -2.37 117.35 118.35 1x4x s TYR 41 Ca 0.36 -1.35 -0.13 0.00 -1.01 0.00 0.00 57.07 54.93 1x4x s TYR 41 Cb 0.05 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1x4x s TYR 41 CO 0.14 -0.71 0.28 1.03 -1.11 0.00 0.00 175.55 175.17 1x4x s ARG 42 N 1.43 2.90 0.01 -0.62 0.52 -1.23 -3.22 118.95 118.74 1x4x s ARG 42 Ca 0.04 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 54.06 1x4x s ARG 42 Cb -0.13 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 1x4x s ARG 42 CO -0.11 -0.77 0.33 -1.17 0.02 0.00 0.00 175.30 173.60 1x4x s LEU 43 N 1.62 4.39 -0.24 2.53 2.96 -0.99 -3.80 118.68 125.15 1x4x s LEU 43 Ca 0.04 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1x4x s LEU 43 Cb -0.20 -2.67 0.06 0.00 0.50 0.00 0.00 46.19 43.89 1x4x s LEU 43 CO 0.08 0.27 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.69 1x4x s GLU 44 N -1.53 1.88 -0.12 1.98 2.02 -1.05 -0.98 118.70 120.91 1x4x s GLU 44 Ca 0.27 -1.11 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1x4x s GLU 44 Cb -0.14 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1x4x s GLU 44 CO 0.14 -0.57 -0.16 -0.46 0.02 0.00 0.00 175.26 174.23 1x4x s TRP 45 N 1.29 2.12 0.31 1.61 -0.11 -1.05 -2.75 118.94 120.36 1x4x s TRP 45 Ca -0.07 -1.04 -0.05 0.00 1.22 0.00 0.00 56.10 56.16 1x4x s TRP 45 Cb -0.19 -1.52 -0.00 0.00 -1.50 0.00 0.00 33.47 30.26 1x4x s TRP 45 CO -0.06 -0.53 0.46 0.20 -4.62 0.00 0.00 176.95 172.41 1x4x s GLY 46 N 1.02 1.23 0.06 5.86 0.00 -1.21 -4.21 107.32 110.07 1x4x s GLY 46 Ca -0.05 -1.36 -0.27 0.00 0.00 0.00 0.00 44.72 43.04 1x4x s GLY 46 CO -0.03 -0.92 1.41 -1.33 0.00 0.00 0.00 173.10 172.23 1x4x h GLY 47 N 2.17 -1.11 -2.14 0.20 0.00 -1.87 -3.23 103.07 97.10 1x4x h GLY 47 Ca -0.28 0.49 -0.60 0.00 0.00 0.00 0.00 47.33 46.94 1x4x h GLY 47 CO 0.39 -0.35 -0.68 0.54 0.00 0.00 0.00 176.54 176.43 1x4x s VAL 48 N -5.11 2.56 0.26 4.60 0.11 -1.24 -3.88 120.40 117.71 1x4x s VAL 48 Ca -0.13 -2.17 -0.02 0.00 -2.93 0.00 0.00 61.98 56.72 1x4x s VAL 48 Cb 0.03 -2.60 0.25 0.00 -1.53 0.00 0.00 36.38 32.53 1x4x s VAL 48 CO 0.44 -0.28 1.83 1.05 -3.33 0.00 0.00 175.10 174.81 1x4x h GLU 49 N 2.03 0.91 0.00 1.54 4.11 -1.92 0.19 114.58 121.43 1x4x h GLU 49 Ca -0.42 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1x4x h GLU 49 Cb 1.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1x4x h GLU 49 CO 0.65 0.60 0.00 0.41 0.07 0.00 0.00 179.01 180.74 1x4x n GLY 50 N -1.34 -0.88 2.71 1.06 0.00 -1.26 -4.30 105.19 101.18 1x4x n GLY 50 Ca 0.16 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1x4x n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4x s SER 51 N -2.93 3.61 -0.04 1.61 0.15 0.66 -5.11 113.70 111.64 1x4x s SER 51 Ca 0.07 -1.32 -0.17 0.00 0.70 0.00 0.00 55.95 55.23 1x4x s SER 51 Cb 0.08 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1x4x s SER 51 CO 0.21 -0.38 0.37 -0.04 1.20 0.00 0.00 173.24 174.61 1x4x s MET 52 N 1.76 0.68 0.21 5.44 -1.94 -1.26 -3.49 119.30 120.71 1x4x s MET 52 Ca 0.06 -0.00 -0.09 0.00 -1.71 0.00 0.00 55.69 53.95 1x4x s MET 52 Cb -0.17 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 36.97 1x4x s MET 52 CO -0.21 -0.18 0.34 -0.65 -0.01 0.00 0.00 175.02 174.31 1x4x s GLN 53 N -1.04 1.35 -0.33 2.03 -1.52 -1.26 -4.96 119.66 113.93 1x4x s GLN 53 Ca -0.11 -1.30 -0.28 0.00 -1.95 0.00 0.00 55.36 51.72 1x4x s GLN 53 Cb -0.04 0.40 -0.06 0.00 -0.22 0.00 0.00 33.01 33.09 1x4x s GLN 53 CO 0.04 -0.52 2.30 -0.89 -0.25 0.00 0.00 175.29 175.97 1x4x n ILE 54 N -0.30 0.19 0.03 1.08 2.08 -1.26 -2.52 119.36 118.65 1x4x n ILE 54 Ca -0.03 -0.56 -0.21 0.00 0.56 0.00 0.00 62.75 62.51 1x4x n ILE 54 Cb 0.63 -2.58 -0.14 0.00 -0.75 0.00 0.00 39.64 36.80 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 -2.57 0.07 -0.03 0.00 5.04 -1.24 -5.05 117.35 113.57 1x4x s TYR 56 Ca -0.19 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.32 1x4x s TYR 56 Cb 0.06 -0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.33 1x4x s TYR 56 CO 0.81 -0.09 -0.02 0.00 -1.34 0.00 0.00 175.55 174.90 1x4x n GLY 58 N 3.80 2.91 0.03 0.00 0.00 -1.20 -4.93 105.19 105.81 1x4x n GLY 58 Ca -0.23 -1.34 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.48 0.05 -0.78 1.61 -0.04 -1.26 -2.11 135.00 130.99 1x4x n PRO 59 Ca 0.00 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.43 1x4x n PRO 59 Cb 0.00 -1.59 0.11 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.04 -2.64 0.00 0.55 0.00 -1.26 -4.85 105.19 96.95 1x4x n GLY 60 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.40 0.00 -4.33 0.99 4.77 -1.26 -4.83 117.00 112.74 1x4x n LEU 61 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1x4x n LEU 61 Cb 0.63 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1x4x n LEU 61 CO 0.45 0.00 -0.53 -0.94 -1.33 0.00 0.00 177.39 175.04 1x4x s SER 62 N -2.31 3.40 -0.04 -1.43 1.04 -1.26 -3.36 113.70 109.75 1x4x s SER 62 Ca 0.00 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1x4x s SER 62 Cb 0.00 -0.92 0.03 0.00 0.10 0.00 0.00 66.02 65.24 1x4x s SER 62 CO 0.00 0.26 0.07 -0.47 0.98 0.00 0.00 173.24 174.08 1x4x s TYR 63 N -0.24 -0.03 -0.23 5.02 5.04 -1.21 -5.07 117.35 120.63 1x4x s TYR 63 Ca -0.01 0.25 -0.13 0.00 -2.44 0.00 0.00 57.07 54.75 1x4x s TYR 63 Cb -0.13 -0.20 -0.05 0.00 0.35 0.00 0.00 41.96 41.93 1x4x s TYR 63 CO 0.03 -0.12 0.26 -2.00 -1.34 0.00 0.00 175.55 172.38 1x4x s GLU 64 N 1.16 4.10 -0.12 4.97 2.12 -1.26 -2.35 118.70 127.32 1x4x s GLU 64 Ca -0.08 -0.08 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 1x4x s GLU 64 Cb -0.13 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1x4x s GLU 64 CO -0.04 -0.01 -0.02 0.42 -0.54 0.00 0.00 175.26 175.07 1x4x s ILE 65 N 1.25 4.10 0.32 -3.70 1.01 0.41 -5.02 121.20 119.58 1x4x s ILE 65 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1x4x s ILE 65 Cb -0.14 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1x4x s ILE 65 CO 0.06 0.55 0.19 -0.54 0.00 0.00 0.00 174.94 175.20 1x4x s LYS 66 N -0.26 1.67 -0.18 2.79 1.02 -1.26 -0.70 119.74 122.82 1x4x s LYS 66 Ca 0.05 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.07 1x4x s LYS 66 Cb -0.12 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1x4x s LYS 66 CO 0.02 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1x4x n GLY 67 N -0.63 0.34 3.98 -3.33 0.00 -0.62 -4.97 105.19 99.95 1x4x n GLY 67 Ca 0.02 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.56 2.99 -0.01 0.99 1.43 -1.17 -5.05 118.68 117.29 1x4x s LEU 68 Ca 0.00 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1x4x s LEU 68 Cb 0.00 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1x4x s LEU 68 CO 0.00 -1.78 -0.09 -0.44 0.23 0.00 0.00 176.35 174.26 1x4x s SER 69 N -4.67 4.43 0.71 2.29 0.01 -1.26 -4.36 113.70 110.85 1x4x s SER 69 Ca 0.65 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.61 1x4x s SER 69 Cb -0.07 -1.00 0.03 0.00 0.21 0.00 0.00 66.02 65.19 1x4x s SER 69 CO 0.44 0.30 1.10 -2.16 0.41 0.00 0.00 173.24 173.33 1x4x s PRO 70 N -1.21 2.53 -1.44 12.44 0.04 -1.24 -3.77 135.00 142.35 1x4x s PRO 70 Ca 0.15 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1x4x s PRO 70 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x4x s PRO 70 CO 0.05 -1.45 0.31 0.00 0.04 0.00 0.00 177.00 175.96 1x4x n ALA 71 N -2.96 -2.03 -3.73 8.56 0.00 -0.36 -4.86 120.51 115.13 1x4x n ALA 71 Ca 0.10 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1x4x n ALA 71 Cb 0.52 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.47 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 -4.06 -0.04 0.17 0.00 2.01 -1.24 -4.91 115.64 107.57 1x4x s THR 72 Ca 0.02 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1x4x s THR 72 Cb -0.01 -0.09 -0.08 0.00 0.01 0.00 0.00 72.50 72.34 1x4x s THR 72 CO 0.92 0.09 1.10 -0.89 -0.69 0.00 0.00 174.62 175.15 1x4x s THR 73 N 1.03 3.87 0.21 -0.82 2.01 -1.26 -2.03 115.64 118.65 1x4x s THR 73 Ca -0.09 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.57 1x4x s THR 73 Cb -0.12 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1x4x s THR 73 CO -0.03 0.27 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.79 1x4x s TYR 74 N -0.19 1.60 0.03 4.92 2.02 0.92 -4.46 117.35 122.18 1x4x s TYR 74 Ca 0.50 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1x4x s TYR 74 Cb -0.29 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.39 1x4x s TYR 74 CO 0.35 0.15 -0.05 0.71 -1.57 0.00 0.00 175.55 175.14 1x4x s TYR 75 N -3.21 0.40 -0.10 2.71 1.51 -1.22 -1.61 117.35 115.83 1x4x s TYR 75 Ca 0.24 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1x4x s TYR 75 Cb 0.03 -0.26 0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1x4x s TYR 75 CO 0.07 -0.14 0.26 0.00 -1.11 0.00 0.00 175.55 174.63 1x4x s ARG 77 N 0.57 0.29 0.06 0.00 1.70 -1.11 -3.10 118.95 117.36 1x4x s ARG 77 Ca -0.04 0.14 0.05 0.00 -0.47 0.00 0.00 55.73 55.41 1x4x s ARG 77 Cb -0.05 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.72 1x4x s ARG 77 CO -0.03 -0.20 -0.08 0.54 -1.08 0.00 0.00 175.30 174.45 1x4x s VAL 78 N 1.41 3.54 0.03 4.99 0.11 -1.26 -2.52 120.40 126.70 1x4x s VAL 78 Ca -0.04 -1.03 -0.06 0.00 -2.93 0.00 0.00 61.98 57.91 1x4x s VAL 78 Cb -0.13 -2.61 -0.01 0.00 -1.53 0.00 0.00 36.38 32.10 1x4x s VAL 78 CO -0.03 0.23 0.12 0.00 -3.33 0.00 0.00 175.10 172.09 1x4x s GLN 79 N -1.88 0.57 -0.23 1.54 -2.07 -1.25 -2.10 119.66 114.24 1x4x s GLN 79 Ca 0.20 -0.65 -0.11 0.00 -1.82 0.00 0.00 55.36 52.98 1x4x s GLN 79 Cb -0.11 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 1x4x s GLN 79 CO 0.12 -0.14 0.18 0.00 -1.32 0.00 0.00 175.29 174.12 1x4x s ALA 80 N -2.28 3.61 -0.18 2.60 0.00 -1.26 -3.57 121.76 120.69 1x4x s ALA 80 Ca -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 1x4x s ALA 80 Cb -0.03 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1x4x s ALA 80 CO -0.03 -0.17 0.13 -0.51 0.00 0.00 0.00 175.76 175.18 1x4x s LEU 81 N 1.01 4.21 0.00 0.00 1.02 -1.00 0.07 118.68 124.00 1x4x s LEU 81 Ca 0.09 0.28 0.03 0.00 0.02 0.00 0.00 54.13 54.54 1x4x s LEU 81 Cb -0.13 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.03 1x4x s LEU 81 CO 0.04 0.24 0.24 -1.54 0.02 0.00 0.00 176.35 175.35 1x4x n SER 82 N 3.12 2.10 -0.80 2.29 3.41 -1.19 0.36 113.62 122.92 1x4x n SER 82 Ca -0.17 -2.16 0.12 0.00 -0.26 0.00 0.00 58.87 56.40 1x4x n SER 82 Cb 0.53 -0.01 0.30 0.00 -0.26 0.00 0.00 64.21 64.77 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 -1.26 0.25 0.00 -3.33 0.24 -1.26 -4.08 118.33 108.89 1x4x n VAL 83 Ca -0.02 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1x4x n VAL 83 Cb 0.38 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 0.84 0.00 0.00 3.34 3.14 -1.26 -5.11 118.33 119.27 1x4x n VAL 84 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1x4x n VAL 84 Cb 0.46 0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 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 2.47 2.46 3.57 7.55 0.00 -1.25 -4.97 105.19 115.02 1x4x n GLY 85 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.27 0.73 4.61 0.00 -1.26 -3.14 121.76 119.44 1x4x s ALA 86 Ca 0.00 2.25 -0.14 0.00 0.00 0.00 0.00 51.96 54.07 1x4x s ALA 86 Cb 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.36 1x4x s ALA 86 CO 0.00 -0.75 1.15 0.20 0.00 0.00 0.00 175.76 176.35 1x4x s GLY 87 N 2.30 2.11 0.84 0.00 0.00 0.11 -4.97 107.32 107.71 1x4x s GLY 87 Ca -0.06 0.64 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1x4x s GLY 87 CO -0.18 1.02 1.09 2.56 0.00 0.00 0.00 173.10 177.59 1x4x s PRO 88 N -4.19 1.68 0.13 2.90 0.04 -1.26 -4.42 135.00 129.88 1x4x s PRO 88 Ca 0.69 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1x4x s PRO 88 Cb -0.23 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1x4x s PRO 88 CO 0.47 -1.99 0.92 -0.06 0.04 0.00 0.00 177.00 176.38 1x4x s PHE 89 N -2.92 3.84 0.71 0.56 0.08 -1.26 -4.12 117.98 114.86 1x4x s PHE 89 Ca 0.62 1.77 -0.11 0.00 0.12 0.00 0.00 56.93 59.33 1x4x s PHE 89 Cb -0.18 -3.00 0.18 0.00 -0.57 0.00 0.00 43.02 39.46 1x4x s PHE 89 CO 0.57 0.28 0.40 -1.13 -0.10 0.00 0.00 175.22 175.24 1x4x n SER 90 N 2.49 -2.95 -4.62 1.36 3.41 -0.89 -4.86 113.62 107.56 1x4x n SER 90 Ca 0.00 -0.41 -0.43 0.00 -0.26 0.00 0.00 58.87 57.78 1x4x n SER 90 Cb 0.49 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.80 3.83 -0.47 4.33 2.02 -1.26 -4.86 118.70 118.49 1x4x s GLU 91 Ca 0.31 1.17 -0.43 0.00 0.02 0.00 0.00 54.97 56.04 1x4x s GLU 91 Cb -0.05 -3.92 -0.18 0.00 0.10 0.00 0.00 34.13 30.08 1x4x s GLU 91 CO 0.26 -1.23 2.09 0.28 0.02 0.00 0.00 175.26 176.67 1x4x n VAL 92 N 6.43 0.03 -3.15 2.63 0.31 -1.26 -4.70 118.33 118.62 1x4x n VAL 92 Ca 0.15 -0.04 -0.44 0.00 -0.01 0.00 0.00 64.34 64.01 1x4x n VAL 92 Cb 0.47 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 32.67 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 5.83 4.86 0.44 2.52 1.01 -1.18 -4.96 120.40 128.91 1x4x s VAL 93 Ca 1.17 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 1x4x s VAL 93 Cb -1.40 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 30.55 1x4x s VAL 93 CO 0.65 -0.84 0.96 0.00 0.00 0.00 0.00 175.10 175.87 1x4x s ALA 94 N 2.66 3.02 -0.26 5.51 0.00 -1.26 -3.44 121.76 127.99 1x4x s ALA 94 Ca 0.15 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1x4x s ALA 94 Cb -0.20 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 19.84 1x4x s ALA 94 CO 0.11 0.06 0.64 0.00 0.00 0.00 0.00 175.76 176.57 1x4x s VAL 96 N 1.40 4.65 0.44 0.00 1.01 -1.26 -0.06 120.40 126.59 1x4x s VAL 96 Ca -0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1x4x s VAL 96 Cb -0.06 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1x4x s VAL 96 CO -0.16 0.41 1.03 0.42 0.00 0.00 0.00 175.10 176.80 1x4x s THR 97 N 0.86 3.85 0.51 3.92 -4.23 -0.86 -4.90 115.64 114.78 1x4x s THR 97 Ca 0.04 1.26 -0.21 0.00 -1.18 0.00 0.00 61.69 61.59 1x4x s THR 97 Cb -0.14 -3.57 -0.07 0.00 1.34 0.00 0.00 72.50 70.07 1x4x s THR 97 CO 0.02 -0.15 1.14 -2.16 -0.54 0.00 0.00 174.62 172.94 1x4x s PRO 98 N -2.92 3.53 0.58 3.99 0.04 -1.26 -1.23 135.00 137.73 1x4x s PRO 98 Ca 0.63 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 1x4x s PRO 98 Cb -0.18 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1x4x s PRO 98 CO 0.22 -0.72 1.12 -1.25 0.04 0.00 0.00 177.00 176.41 1x4x s PRO 99 N -3.04 3.20 -0.68 0.56 0.04 -1.26 -2.43 135.00 131.39 1x4x s PRO 99 Ca 0.69 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 1x4x s PRO 99 Cb -0.26 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1x4x s PRO 99 CO 0.30 -0.96 0.50 0.45 0.04 0.00 0.00 177.00 177.33 1x4x s SER 100 N -2.01 5.20 -0.20 6.66 0.15 -1.26 -4.86 113.70 117.38 1x4x s SER 100 Ca 0.71 -3.23 -0.11 0.00 0.70 0.00 0.00 55.95 54.02 1x4x s SER 100 Cb -0.23 -1.80 -0.09 0.00 -1.71 0.00 0.00 66.02 62.20 1x4x s SER 100 CO 0.31 -0.26 -0.27 -1.20 1.20 0.00 0.00 173.24 173.02 1x4x n SER 101 N 2.93 1.47 0.00 5.45 7.64 -1.26 -5.11 113.62 124.74 1x4x n SER 101 Ca 0.12 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1x4x n SER 101 Cb 0.36 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1x4x n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4x n GLY 102 N 1.73 2.52 0.21 0.23 0.00 -1.26 -4.78 105.19 103.85 1x4x n GLY 102 Ca -0.38 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 43.73 1x4x n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 103 N 0.00 0.00 -5.78 1.61 0.13 -2.03 -3.40 132.00 122.53 1x4x h PRO 103 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1x4x h PRO 103 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1x4x h PRO 103 CO 0.00 0.00 0.64 -1.54 -0.23 0.00 0.00 178.00 176.87 1x4x s SER 104 N -5.03 6.24 0.13 1.44 1.04 -1.26 -4.75 113.70 111.51 1x4x s SER 104 Ca 0.02 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x4x s SER 104 Cb 0.09 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1x4x s SER 104 CO 0.47 -1.42 0.00 -0.24 0.98 0.00 0.00 173.24 173.03 1x4x n SER 105 N 7.88 0.71 0.00 7.02 2.88 -1.26 -5.10 113.62 125.75 1x4x n SER 105 Ca -0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x4x n SER 105 Cb 0.47 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1x4x n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42