#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x n SER 2 N 0.00 1.62 -4.68 1.61 7.64 -1.26 -4.97 113.62 113.59 1x4x n SER 2 Ca 0.00 0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.71 1x4x n SER 2 Cb 0.00 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 1x4x n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4x s SER 3 N -5.97 6.99 -0.17 6.43 1.04 -1.26 -5.02 113.70 115.75 1x4x s SER 3 Ca -0.19 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.00 1x4x s SER 3 Cb 0.03 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1x4x s SER 3 CO 0.27 -0.67 -0.03 -0.83 0.98 0.00 0.00 173.24 172.96 1x4x s GLY 4 N 1.74 1.71 0.63 7.32 0.00 -1.26 -5.10 107.32 112.36 1x4x s GLY 4 Ca 0.56 -0.87 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 1x4x s GLY 4 CO 0.19 0.01 1.13 -0.56 0.00 0.00 0.00 173.10 173.87 1x4x s SER 5 N 0.53 5.21 -0.22 1.64 0.01 -1.26 -5.06 113.70 114.55 1x4x s SER 5 Ca -0.03 2.10 -0.26 0.00 1.31 0.00 0.00 55.95 59.07 1x4x s SER 5 Cb -0.14 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.59 1x4x s SER 5 CO 0.03 -1.56 0.71 -0.94 0.41 0.00 0.00 173.24 171.88 1x4x s SER 6 N -2.24 -0.73 0.00 2.44 1.04 -1.26 -5.17 113.70 107.78 1x4x s SER 6 Ca 0.70 1.28 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1x4x s SER 6 Cb -0.23 1.26 0.00 0.00 0.10 0.00 0.00 66.02 67.15 1x4x s SER 6 CO 0.37 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1x4x n GLY 7 N 2.29 2.21 3.61 7.32 0.00 -1.26 -4.47 105.19 114.90 1x4x n GLY 7 Ca -0.15 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.54 -0.83 0.61 1.61 0.04 -1.26 -5.04 135.00 128.58 1x4x s PRO 8 Ca 0.00 0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.01 1x4x s PRO 8 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1x4x s PRO 8 CO 0.00 -3.48 1.00 0.34 0.04 0.00 0.00 177.00 174.89 1x4x s ASP 9 N -3.79 6.09 0.52 6.66 2.15 -1.26 -4.83 116.67 122.21 1x4x s ASP 9 Ca 0.70 1.27 -0.19 0.00 0.43 0.00 0.00 52.55 54.76 1x4x s ASP 9 Cb -0.12 -2.32 -0.11 0.00 -0.30 0.00 0.00 42.92 40.07 1x4x s ASP 9 CO 0.56 -0.90 0.32 1.67 -0.17 0.00 0.00 175.17 176.65 1x4x n GLN 10 N -2.70 0.35 -3.46 4.34 7.27 -1.26 -4.88 117.38 117.04 1x4x n GLN 10 Ca 0.05 0.14 -0.38 0.00 0.07 0.00 0.00 57.00 56.88 1x4x n GLN 10 Cb 0.55 -1.44 -0.06 0.00 2.41 0.00 0.00 30.24 31.70 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 -0.61 3.55 0.05 0.00 -2.85 -1.26 -3.78 119.74 114.83 1x4x s LYS 12 Ca 0.24 1.26 -0.31 0.00 -1.00 0.00 0.00 55.97 56.16 1x4x s LYS 12 Cb -0.16 -2.06 -0.07 0.00 -2.06 0.00 0.00 37.83 33.48 1x4x s LYS 12 CO 0.12 -0.63 1.41 -1.25 0.10 0.00 0.00 175.35 175.10 1x4x s PRO 13 N -3.71 4.30 1.05 1.78 0.04 -1.26 -4.78 135.00 132.42 1x4x s PRO 13 Ca 0.65 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.58 1x4x s PRO 13 Cb -0.16 -3.45 0.22 0.00 0.04 0.00 0.00 34.50 31.15 1x4x s PRO 13 CO 0.29 -0.52 1.10 -1.25 0.04 0.00 0.00 177.00 176.65 1x4x s PRO 14 N 1.89 -0.03 -0.27 0.56 0.04 -1.26 -5.01 135.00 130.92 1x4x s PRO 14 Ca 0.65 0.37 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 1x4x s PRO 14 Cb -0.34 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1x4x s PRO 14 CO 0.28 -3.01 0.08 -1.14 0.04 0.00 0.00 177.00 173.26 1x4x s GLN 15 N -5.05 3.43 0.09 4.56 0.74 -0.20 -4.89 119.66 118.33 1x4x s GLN 15 Ca 0.67 -0.63 -0.11 0.00 0.05 0.00 0.00 55.36 55.34 1x4x s GLN 15 Cb -0.17 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.51 1x4x s GLN 15 CO 0.57 -0.30 0.43 0.14 -0.55 0.00 0.00 175.29 175.58 1x4x s VAL 16 N 1.58 5.05 -0.21 1.34 -7.23 -1.26 -2.37 120.40 117.29 1x4x s VAL 16 Ca 0.05 0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 60.72 1x4x s VAL 16 Cb -0.16 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.19 1x4x s VAL 16 CO 0.03 0.30 0.09 -0.89 -0.31 0.00 0.00 175.10 174.33 1x4x s THR 17 N -1.39 0.02 -0.97 5.32 2.01 0.07 -4.95 115.64 115.75 1x4x s THR 17 Ca 0.33 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.67 1x4x s THR 17 Cb -0.14 -0.77 -0.18 0.00 0.01 0.00 0.00 72.50 71.42 1x4x s THR 17 CO 0.18 -0.41 1.95 0.00 -0.69 0.00 0.00 174.62 175.65 1x4x h ARG 19 N 10.10 0.27 0.00 0.00 2.47 -1.85 -3.44 114.38 121.93 1x4x h ARG 19 Ca 0.18 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.84 1x4x h ARG 19 Cb 0.89 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1x4x h ARG 19 CO 1.35 0.18 0.12 0.43 0.56 0.00 0.00 179.97 182.61 1x4x n SER 20 N -4.82 -1.29 0.05 7.04 7.64 -1.14 -4.95 113.62 116.15 1x4x n SER 20 Ca 0.32 -2.00 0.01 0.00 1.01 0.00 0.00 58.87 58.21 1x4x n SER 20 Cb 1.08 2.18 0.34 0.00 -1.01 0.00 0.00 64.21 66.81 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 1.96 1.45 0.00 -0.43 0.00 -1.85 -2.94 119.26 117.45 1x4x h ALA 21 Ca -0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1x4x h ALA 21 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1x4x h ALA 21 CO 0.25 0.39 -0.33 0.25 0.00 0.00 0.00 179.25 179.81 1x4x n THR 22 N -4.29 2.04 -4.05 0.00 -2.24 -1.26 -3.10 114.28 101.37 1x4x n THR 22 Ca 0.01 -2.83 -0.08 0.00 -2.27 0.00 0.00 64.05 58.88 1x4x n THR 22 Cb 0.25 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.02 -1.44 0.02 0.00 0.00 0.93 -2.90 121.76 115.36 1x4x s ALA 24 Ca -0.01 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1x4x s ALA 24 Cb 0.01 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1x4x s ALA 24 CO -0.07 -0.68 -0.07 -1.14 0.00 0.00 0.00 175.76 173.80 1x4x s GLN 25 N -3.41 0.50 0.08 0.00 -0.44 -0.30 -1.27 119.66 114.81 1x4x s GLN 25 Ca -0.00 -0.50 0.07 0.00 -2.50 0.00 0.00 55.36 52.43 1x4x s GLN 25 Cb -0.00 -0.37 -0.03 0.00 -1.64 0.00 0.00 33.01 30.97 1x4x s GLN 25 CO -0.10 0.09 -0.18 0.08 0.50 0.00 0.00 175.29 175.67 1x4x s VAL 26 N -0.79 1.49 -0.09 1.34 1.01 -0.96 -0.75 120.40 121.66 1x4x s VAL 26 Ca -0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1x4x s VAL 26 Cb -0.06 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1x4x s VAL 26 CO 0.00 -0.06 0.19 0.20 0.00 0.00 0.00 175.10 175.43 1x4x s ASN 27 N -1.69 -0.04 0.31 3.32 -0.87 -1.00 -3.14 114.94 111.83 1x4x s ASN 27 Ca 0.04 0.40 0.05 0.00 -1.57 0.00 0.00 52.86 51.79 1x4x s ASN 27 Cb -0.10 0.31 -0.02 0.00 -0.02 0.00 0.00 41.25 41.42 1x4x s ASN 27 CO 0.03 -0.17 0.19 -2.67 -2.57 0.00 0.00 177.10 171.91 1x4x n TRP 28 N 4.42 -0.35 -4.03 2.20 2.14 -0.79 -1.04 117.44 119.98 1x4x n TRP 28 Ca -0.22 -2.34 -0.11 0.00 2.07 0.00 0.00 57.50 56.89 1x4x n TRP 28 Cb 0.52 0.14 -0.05 0.00 -0.81 0.00 0.00 31.31 31.11 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1x4x s GLU 29 N -3.24 1.62 -0.06 -2.67 4.04 -1.26 -4.77 118.70 112.36 1x4x s GLU 29 Ca 0.27 -1.42 -0.20 0.00 0.04 0.00 0.00 54.97 53.66 1x4x s GLU 29 Cb 0.01 0.45 -0.05 0.00 0.02 0.00 0.00 34.13 34.57 1x4x s GLU 29 CO 0.19 -0.67 0.56 0.08 -1.84 0.00 0.00 175.26 173.59 1x4x s VAL 30 N -3.74 5.05 1.19 1.83 1.01 -1.26 -4.85 120.40 119.63 1x4x s VAL 30 Ca 0.26 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 1x4x s VAL 30 Cb 0.00 -3.90 0.28 0.00 0.00 0.00 0.00 36.38 32.76 1x4x s VAL 30 CO 0.12 0.35 1.11 -2.16 0.00 0.00 0.00 175.10 174.52 1x4x s PRO 31 N 0.29 -1.11 -0.83 2.72 0.04 -1.26 -4.91 135.00 129.93 1x4x s PRO 31 Ca 0.30 -0.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.07 1x4x s PRO 31 Cb -0.17 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x4x s PRO 31 CO 0.15 -3.65 1.50 -0.51 0.04 0.00 0.00 177.00 174.53 1x4x s LEU 32 N -6.91 3.29 -0.17 -3.56 1.02 -1.26 -4.95 118.68 106.14 1x4x s LEU 32 Ca 0.70 -0.68 -0.00 0.00 0.02 0.00 0.00 54.13 54.17 1x4x s LEU 32 Cb -0.10 -2.56 0.04 0.00 0.02 0.00 0.00 46.19 43.59 1x4x s LEU 32 CO 0.56 -1.92 -0.06 -0.44 0.02 0.00 0.00 176.35 174.51 1x4x s SER 33 N 5.33 2.97 -0.32 2.29 0.01 -1.26 -4.53 113.70 118.19 1x4x s SER 33 Ca 0.48 -0.73 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 1x4x s SER 33 Cb -0.06 -0.96 0.01 0.00 0.21 0.00 0.00 66.02 65.22 1x4x s SER 33 CO 0.06 -0.19 0.13 0.20 0.41 0.00 0.00 173.24 173.85 1x4x s ASN 34 N 1.59 5.38 0.00 2.44 0.01 -1.26 -4.74 114.94 118.37 1x4x s ASN 34 Ca 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 1x4x s ASN 34 Cb -0.16 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.56 1x4x s ASN 34 CO -0.08 -0.24 0.00 0.61 -1.51 0.00 0.00 177.10 175.88 1x4x n GLY 35 N 4.92 1.92 3.86 0.66 0.00 -1.26 -5.08 105.19 110.22 1x4x n GLY 35 Ca -0.14 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1x4x n GLY 35 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4x s THR 36 N 0.00 5.09 0.12 2.61 -1.32 -1.26 -5.09 115.64 115.78 1x4x s THR 36 Ca 0.00 0.50 -0.06 0.00 -1.21 0.00 0.00 61.69 60.92 1x4x s THR 36 Cb 0.00 -3.65 -0.06 0.00 -1.51 0.00 0.00 72.50 67.28 1x4x s THR 36 CO 0.00 0.32 0.37 -0.62 -2.21 0.00 0.00 174.62 172.48 1x4x s ASP 37 N -1.68 6.52 -0.44 8.08 -1.08 -1.26 -4.93 116.67 121.88 1x4x s ASP 37 Ca 0.32 0.62 -0.28 0.00 -0.52 0.00 0.00 52.55 52.69 1x4x s ASP 37 Cb -0.14 -2.10 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 1x4x s ASP 37 CO 0.17 0.09 1.79 -0.69 0.52 0.00 0.00 175.17 177.05 1x4x s VAL 38 N -1.58 3.47 0.12 1.11 1.01 -1.26 -4.45 120.40 118.82 1x4x s VAL 38 Ca 0.38 0.43 -0.33 0.00 0.00 0.00 0.00 61.98 62.46 1x4x s VAL 38 Cb -0.13 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1x4x s VAL 38 CO 0.23 -0.62 1.54 0.71 0.00 0.00 0.00 175.10 176.96 1x4x h THR 39 N 6.81 0.00 -3.16 3.92 1.35 0.50 -3.46 112.91 118.87 1x4x h THR 39 Ca -0.30 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.40 1x4x h THR 39 Cb 1.16 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 1x4x h THR 39 CO 1.10 0.00 -0.08 -1.84 -0.25 0.00 0.00 175.52 174.45 1x4x n GLU 40 N -5.35 0.41 -3.70 4.72 0.28 -1.23 -4.69 120.64 111.08 1x4x n GLU 40 Ca -0.05 -1.61 -0.23 0.00 -0.16 0.00 0.00 57.16 55.11 1x4x n GLU 40 Cb 0.35 1.56 -0.17 0.00 1.43 0.00 0.00 31.44 34.61 1x4x n GLU 40 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1x4x s TYR 41 N -3.82 0.43 -0.47 -1.84 1.51 -1.05 -1.96 117.35 110.16 1x4x s TYR 41 Ca 0.17 -0.18 -0.18 0.00 -1.01 0.00 0.00 57.07 55.87 1x4x s TYR 41 Cb -0.01 -0.71 0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1x4x s TYR 41 CO 0.12 -0.37 0.55 1.03 -1.11 0.00 0.00 175.55 175.77 1x4x s ARG 42 N 2.05 3.11 -0.37 -0.62 0.52 -1.23 -2.83 118.95 119.59 1x4x s ARG 42 Ca 0.03 -0.86 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 1x4x s ARG 42 Cb -0.14 -4.06 -0.00 0.00 0.52 0.00 0.00 34.95 31.27 1x4x s ARG 42 CO -0.06 -1.08 0.34 -1.17 0.02 0.00 0.00 175.30 173.35 1x4x s LEU 43 N 2.40 4.63 -0.26 2.53 2.96 -0.64 -3.62 118.68 126.69 1x4x s LEU 43 Ca 0.14 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 1x4x s LEU 43 Cb -0.19 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1x4x s LEU 43 CO 0.12 -0.38 0.20 -1.61 -1.32 0.00 0.00 176.35 173.37 1x4x s GLU 44 N 1.93 4.02 -0.07 1.98 2.02 -0.78 -0.48 118.70 127.31 1x4x s GLU 44 Ca 0.10 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.87 1x4x s GLU 44 Cb -0.17 -3.60 0.01 0.00 0.10 0.00 0.00 34.13 30.46 1x4x s GLU 44 CO 0.12 -0.07 -0.17 -0.46 0.02 0.00 0.00 175.26 174.69 1x4x s TRP 45 N 1.45 1.87 -0.22 1.61 -0.11 -0.16 -1.57 118.94 121.81 1x4x s TRP 45 Ca 0.08 -0.69 -0.18 0.00 1.22 0.00 0.00 56.10 56.53 1x4x s TRP 45 Cb -0.15 -1.30 0.06 0.00 -1.50 0.00 0.00 33.47 30.58 1x4x s TRP 45 CO 0.08 -0.30 0.58 0.20 -4.62 0.00 0.00 176.95 172.88 1x4x s GLY 46 N 0.43 -0.45 0.28 5.86 0.00 -0.62 -3.72 107.32 109.10 1x4x s GLY 46 Ca -0.14 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.33 1x4x s GLY 46 CO 0.05 1.60 1.62 -1.33 0.00 0.00 0.00 173.10 175.04 1x4x h GLY 47 N 5.73 1.21 -6.26 0.20 0.00 -1.80 -1.56 103.07 100.60 1x4x h GLY 47 Ca -0.29 0.05 -0.64 0.00 0.00 0.00 0.00 47.33 46.44 1x4x h GLY 47 CO 0.16 -0.40 -0.68 0.14 0.00 0.00 0.00 176.54 175.76 1x4x s VAL 48 N -5.99 3.76 0.52 4.60 1.01 -1.26 -3.19 120.40 119.84 1x4x s VAL 48 Ca -0.13 -0.39 0.26 0.00 0.00 0.00 0.00 61.98 61.72 1x4x s VAL 48 Cb 0.26 -2.67 0.42 0.00 0.00 0.00 0.00 36.38 34.38 1x4x s VAL 48 CO 0.77 0.46 1.95 1.05 0.00 0.00 0.00 175.10 179.33 1x4x h GLU 49 N 7.24 0.06 -0.27 2.72 9.09 -1.94 0.59 114.58 132.07 1x4x h GLU 49 Ca -0.34 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.06 1x4x h GLU 49 Cb 1.18 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.26 1x4x h GLU 49 CO 0.61 0.04 0.14 0.78 0.05 0.00 0.00 179.01 180.63 1x4x h GLY 50 N 0.06 0.39 -7.22 1.06 0.00 -1.93 -3.37 103.07 92.05 1x4x h GLY 50 Ca 0.32 -0.16 -0.57 0.00 0.00 0.00 0.00 47.33 46.93 1x4x h GLY 50 CO -0.02 0.15 -0.76 -0.45 0.00 0.00 0.00 176.54 175.46 1x4x s SER 51 N -6.81 3.69 0.10 0.19 0.15 0.20 -5.12 113.70 106.10 1x4x s SER 51 Ca -0.07 -1.36 0.08 0.00 0.70 0.00 0.00 55.95 55.30 1x4x s SER 51 Cb 0.17 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 1x4x s SER 51 CO 0.72 -0.37 -0.21 -0.04 1.20 0.00 0.00 173.24 174.53 1x4x s MET 52 N 1.68 1.19 0.14 5.44 -1.94 -1.25 -4.30 119.30 120.25 1x4x s MET 52 Ca 0.05 -1.15 0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1x4x s MET 52 Cb -0.17 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 1x4x s MET 52 CO -0.19 0.34 -0.05 1.14 -0.01 0.00 0.00 175.02 176.25 1x4x s GLN 53 N -1.82 0.98 -0.20 2.03 -2.07 -1.24 -4.93 119.66 112.40 1x4x s GLN 53 Ca 0.07 -1.43 -0.29 0.00 -1.82 0.00 0.00 55.36 51.90 1x4x s GLN 53 Cb -0.10 -0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 31.44 1x4x s GLN 53 CO 0.04 -0.03 1.98 0.42 -1.32 0.00 0.00 175.29 176.38 1x4x s ILE 54 N -3.56 3.24 -0.15 3.63 -1.09 -1.26 -0.99 121.20 121.03 1x4x s ILE 54 Ca 0.17 0.26 -0.14 0.00 -2.23 0.00 0.00 60.65 58.71 1x4x s ILE 54 Cb 0.05 -3.28 -0.24 0.00 -1.58 0.00 0.00 42.46 37.41 1x4x s ILE 54 CO -0.01 -0.15 0.34 0.00 -1.23 0.00 0.00 174.94 173.89 1x4x s TYR 56 N -2.48 -0.01 -0.02 0.00 6.14 -1.10 -5.05 117.35 114.83 1x4x s TYR 56 Ca -0.24 0.04 0.01 0.00 0.64 0.00 0.00 57.07 57.51 1x4x s TYR 56 Cb 0.06 -0.02 0.02 0.00 0.42 0.00 0.00 41.96 42.44 1x4x s TYR 56 CO 0.70 -0.11 -0.02 0.00 0.64 0.00 0.00 175.55 176.76 1x4x n GLY 58 N 3.70 2.21 0.06 0.00 0.00 -1.13 -4.94 105.19 105.09 1x4x n GLY 58 Ca -0.22 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.14 0.10 -0.81 1.61 -0.04 -1.26 -2.52 135.00 130.94 1x4x n PRO 59 Ca 0.00 0.34 -0.31 0.00 -0.04 0.00 0.00 63.50 63.49 1x4x n PRO 59 Cb 0.00 -1.68 0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.02 -2.60 0.00 0.55 0.00 -1.26 -4.92 105.19 96.94 1x4x n GLY 60 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.05 0.11 -3.72 0.99 4.77 -1.26 -4.90 117.00 114.04 1x4x n LEU 61 Ca -0.00 -0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1x4x n LEU 61 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1x4x n LEU 61 CO 0.40 0.03 0.07 -0.44 -1.33 0.00 0.00 177.39 176.12 1x4x s SER 62 N -0.71 -0.45 0.05 -1.43 0.01 -1.26 -1.88 113.70 108.02 1x4x s SER 62 Ca 0.00 0.84 0.06 0.00 1.31 0.00 0.00 55.95 58.16 1x4x s SER 62 Cb 0.00 0.81 -0.02 0.00 0.21 0.00 0.00 66.02 67.01 1x4x s SER 62 CO 0.00 -0.16 -0.16 -0.47 0.41 0.00 0.00 173.24 172.86 1x4x s TYR 63 N 0.62 1.41 -0.20 2.43 5.04 -1.19 -5.04 117.35 120.42 1x4x s TYR 63 Ca -0.03 -0.37 -0.07 0.00 -2.44 0.00 0.00 57.07 54.16 1x4x s TYR 63 Cb -0.05 -0.83 -0.04 0.00 0.35 0.00 0.00 41.96 41.40 1x4x s TYR 63 CO -0.04 0.06 0.05 -2.00 -1.34 0.00 0.00 175.55 172.29 1x4x s GLU 64 N -1.27 3.82 -0.10 4.97 2.12 -1.26 -2.26 118.70 124.72 1x4x s GLU 64 Ca 0.03 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1x4x s GLU 64 Cb -0.08 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1x4x s GLU 64 CO 0.02 0.10 -0.10 0.42 -0.54 0.00 0.00 175.26 175.15 1x4x s ILE 65 N 0.84 3.39 0.25 -3.70 1.01 -0.40 -5.03 121.20 117.56 1x4x s ILE 65 Ca 0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1x4x s ILE 65 Cb -0.14 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1x4x s ILE 65 CO 0.02 0.56 0.25 -0.54 0.00 0.00 0.00 174.94 175.23 1x4x s LYS 66 N -0.23 1.43 0.00 2.79 1.02 -1.26 -0.05 119.74 123.44 1x4x s LYS 66 Ca 0.02 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.36 1x4x s LYS 66 Cb -0.13 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1x4x s LYS 66 CO 0.03 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1x4x n GLY 67 N -0.38 0.47 4.01 -3.33 0.00 -0.18 -4.97 105.19 100.82 1x4x n GLY 67 Ca 0.02 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.01 3.01 0.01 0.99 1.43 -0.82 -5.04 118.68 118.25 1x4x s LEU 68 Ca 0.00 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1x4x s LEU 68 Cb 0.00 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1x4x s LEU 68 CO 0.00 -1.69 -0.14 -0.44 0.23 0.00 0.00 176.35 174.31 1x4x s SER 69 N -4.73 4.07 0.69 2.29 0.01 -1.26 -4.35 113.70 110.41 1x4x s SER 69 Ca 0.65 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.48 1x4x s SER 69 Cb -0.05 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.40 1x4x s SER 69 CO 0.42 0.29 1.11 -2.16 0.41 0.00 0.00 173.24 173.31 1x4x s PRO 70 N -1.25 2.67 -1.44 12.44 0.04 -1.18 -3.72 135.00 142.56 1x4x s PRO 70 Ca 0.14 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 1x4x s PRO 70 Cb -0.11 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x4x s PRO 70 CO 0.05 -1.34 0.74 0.00 0.04 0.00 0.00 177.00 176.48 1x4x n ALA 71 N -2.69 -1.71 -3.05 8.56 0.00 -0.91 -4.87 120.51 115.85 1x4x n ALA 71 Ca 0.10 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1x4x n ALA 71 Cb 0.52 -2.81 -0.15 0.00 0.00 0.00 0.00 19.45 17.01 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 -3.58 0.30 0.49 0.00 2.01 -1.24 -4.96 115.64 108.66 1x4x s THR 72 Ca 0.29 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 1x4x s THR 72 Cb -0.15 -0.29 -0.08 0.00 0.01 0.00 0.00 72.50 71.99 1x4x s THR 72 CO 0.85 0.11 1.03 -0.89 -0.69 0.00 0.00 174.62 175.02 1x4x s THR 73 N 0.22 3.90 0.03 -0.82 2.01 -1.26 -2.25 115.64 117.47 1x4x s THR 73 Ca -0.02 1.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.97 1x4x s THR 73 Cb -0.05 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.01 1x4x s THR 73 CO -0.00 -0.30 0.31 -0.31 -0.69 0.00 0.00 174.62 173.63 1x4x s TYR 74 N -2.09 -0.13 0.01 4.92 2.02 0.22 -4.47 117.35 117.82 1x4x s TYR 74 Ca 0.66 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 57.44 1x4x s TYR 74 Cb -0.15 0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.50 1x4x s TYR 74 CO 0.21 -0.48 -0.09 0.71 -1.57 0.00 0.00 175.55 174.34 1x4x s TYR 75 N -2.26 0.77 -0.01 2.71 1.51 -0.59 0.37 117.35 119.85 1x4x s TYR 75 Ca -0.07 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1x4x s TYR 75 Cb -0.02 -0.48 -0.00 0.00 -0.11 0.00 0.00 41.96 41.35 1x4x s TYR 75 CO -0.01 -0.02 -0.05 0.00 -1.11 0.00 0.00 175.55 174.36 1x4x s ARG 77 N -0.03 0.50 -0.03 0.00 1.70 -0.61 -2.46 118.95 118.02 1x4x s ARG 77 Ca 0.01 -0.92 -0.05 0.00 -0.47 0.00 0.00 55.73 54.29 1x4x s ARG 77 Cb -0.03 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.43 1x4x s ARG 77 CO -0.00 -0.06 0.13 0.54 -1.08 0.00 0.00 175.30 174.82 1x4x s VAL 78 N -2.58 0.04 0.04 4.99 0.11 -1.26 -1.86 120.40 119.87 1x4x s VAL 78 Ca -0.04 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1x4x s VAL 78 Cb -0.02 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1x4x s VAL 78 CO -0.05 -0.16 -0.04 0.00 -3.33 0.00 0.00 175.10 171.52 1x4x s GLN 79 N -0.52 0.47 -0.32 1.54 -2.07 -1.24 -2.04 119.66 115.49 1x4x s GLN 79 Ca -0.06 -0.85 -0.12 0.00 -1.82 0.00 0.00 55.36 52.52 1x4x s GLN 79 Cb -0.04 0.02 -0.02 0.00 -1.09 0.00 0.00 33.01 31.88 1x4x s GLN 79 CO 0.01 -0.04 0.21 0.00 -1.32 0.00 0.00 175.29 174.14 1x4x s ALA 80 N -2.20 3.45 0.08 2.60 0.00 -1.26 -3.55 121.76 120.87 1x4x s ALA 80 Ca -0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 1x4x s ALA 80 Cb -0.04 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 1x4x s ALA 80 CO -0.03 -0.86 0.32 -0.51 0.00 0.00 0.00 175.76 174.68 1x4x s LEU 81 N 1.70 4.32 0.00 0.00 1.02 -0.83 -2.35 118.68 122.55 1x4x s LEU 81 Ca 0.06 0.54 0.04 0.00 0.02 0.00 0.00 54.13 54.79 1x4x s LEU 81 Cb -0.17 -3.04 -0.02 0.00 0.02 0.00 0.00 46.19 42.99 1x4x s LEU 81 CO 0.09 0.14 0.15 -1.54 0.02 0.00 0.00 176.35 175.21 1x4x n SER 82 N 0.49 0.72 -0.10 2.29 3.41 -1.20 0.11 113.62 119.35 1x4x n SER 82 Ca -0.06 -2.75 0.14 0.00 -0.26 0.00 0.00 58.87 55.94 1x4x n SER 82 Cb 0.52 0.96 0.51 0.00 -0.26 0.00 0.00 64.21 65.94 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 -0.68 0.00 0.08 -3.33 0.24 -1.26 -3.52 118.33 109.85 1x4x n VAL 83 Ca -0.02 -0.05 0.11 0.00 -2.04 0.00 0.00 64.34 62.34 1x4x n VAL 83 Cb 0.49 -0.02 -0.14 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.09 0.08 0.00 3.34 3.14 -1.26 -5.07 118.33 117.47 1x4x n VAL 84 Ca 0.11 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1x4x n VAL 84 Cb 0.31 0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 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 1.27 -0.33 3.53 7.55 0.00 -1.23 -4.88 105.19 111.10 1x4x n GLY 85 Ca -0.03 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.84 0.31 4.61 0.00 -1.26 -3.21 121.76 119.36 1x4x s ALA 86 Ca 0.00 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.24 1x4x s ALA 86 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1x4x s ALA 86 CO 0.00 -0.53 0.29 0.20 0.00 0.00 0.00 175.76 175.73 1x4x s GLY 87 N -1.88 1.61 0.79 0.00 0.00 -0.99 -4.82 107.32 102.03 1x4x s GLY 87 Ca 0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 44.72 43.08 1x4x s GLY 87 CO -0.03 -1.50 1.09 2.56 0.00 0.00 0.00 173.10 175.22 1x4x s PRO 88 N -3.97 2.13 0.08 2.90 0.04 -1.26 -4.63 135.00 130.29 1x4x s PRO 88 Ca 0.39 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 1x4x s PRO 88 Cb -0.07 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1x4x s PRO 88 CO 0.27 -1.72 1.04 -0.06 0.04 0.00 0.00 177.00 176.57 1x4x s PHE 89 N -2.91 3.65 1.21 0.56 0.08 -1.26 -4.13 117.98 115.18 1x4x s PHE 89 Ca 0.61 1.63 -0.17 0.00 0.12 0.00 0.00 56.93 59.13 1x4x s PHE 89 Cb -0.17 -3.19 0.24 0.00 -0.57 0.00 0.00 43.02 39.33 1x4x s PHE 89 CO 0.56 -0.31 0.57 -1.13 -0.10 0.00 0.00 175.22 174.81 1x4x n SER 90 N 3.24 -2.67 -4.62 1.36 3.41 -0.87 -4.79 113.62 108.68 1x4x n SER 90 Ca 0.05 -0.35 -0.43 0.00 -0.26 0.00 0.00 58.87 57.88 1x4x n SER 90 Cb 0.49 -1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 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 -4.10 3.47 -0.38 4.33 2.02 -1.26 -4.77 118.70 118.02 1x4x s GLU 91 Ca 0.60 2.14 -0.42 0.00 0.02 0.00 0.00 54.97 57.31 1x4x s GLU 91 Cb -0.16 -4.28 -0.17 0.00 0.10 0.00 0.00 34.13 29.62 1x4x s GLU 91 CO 0.60 -1.72 1.78 0.28 0.02 0.00 0.00 175.26 176.22 1x4x n VAL 92 N 7.02 0.17 -3.37 2.63 0.31 -1.26 -4.64 118.33 119.19 1x4x n VAL 92 Ca 0.26 -0.05 -0.45 0.00 -0.01 0.00 0.00 64.34 64.09 1x4x n VAL 92 Cb 0.44 -0.97 -0.07 0.00 -0.91 0.00 0.00 33.84 32.34 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 3.95 5.22 0.55 2.52 1.01 -1.03 -4.95 120.40 127.67 1x4x s VAL 93 Ca 1.04 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1x4x s VAL 93 Cb -1.23 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 30.91 1x4x s VAL 93 CO 0.70 -0.66 1.01 0.00 0.00 0.00 0.00 175.10 176.15 1x4x s ALA 94 N 1.63 2.95 -0.28 5.51 0.00 -1.26 -2.47 121.76 127.84 1x4x s ALA 94 Ca 0.04 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 1x4x s ALA 94 Cb -0.26 -3.16 0.08 0.00 0.00 0.00 0.00 23.12 19.79 1x4x s ALA 94 CO 0.06 -0.47 0.76 0.00 0.00 0.00 0.00 175.76 176.11 1x4x s VAL 96 N 0.86 2.73 0.67 0.00 1.01 -1.26 0.69 120.40 125.10 1x4x s VAL 96 Ca -0.04 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1x4x s VAL 96 Cb -0.05 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1x4x s VAL 96 CO -0.08 0.32 1.22 0.42 0.00 0.00 0.00 175.10 176.98 1x4x s THR 97 N 1.34 2.38 0.55 3.92 -4.23 -0.95 -4.89 115.64 113.76 1x4x s THR 97 Ca 0.02 0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1x4x s THR 97 Cb -0.15 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 1x4x s THR 97 CO -0.06 -0.08 1.13 -2.16 -0.54 0.00 0.00 174.62 172.91 1x4x s PRO 98 N -3.63 3.31 0.28 3.99 0.04 -1.26 -2.15 135.00 135.59 1x4x s PRO 98 Ca 0.77 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 1x4x s PRO 98 Cb -0.31 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1x4x s PRO 98 CO 0.40 -0.88 1.25 -1.25 0.04 0.00 0.00 177.00 176.56 1x4x s PRO 99 N -3.35 4.45 -0.22 0.56 0.04 -1.26 -2.86 135.00 132.36 1x4x s PRO 99 Ca 0.72 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.68 1x4x s PRO 99 Cb -0.24 -3.14 -0.18 0.00 0.04 0.00 0.00 34.50 30.98 1x4x s PRO 99 CO 0.28 -0.09 0.03 0.45 0.04 0.00 0.00 177.00 177.72 1x4x n SER 100 N 1.43 1.96 -4.32 6.66 2.88 -1.26 -4.87 113.62 116.10 1x4x n SER 100 Ca 0.01 0.28 -0.36 0.00 -1.33 0.00 0.00 58.87 57.48 1x4x n SER 100 Cb 0.43 -0.83 -0.13 0.00 -0.75 0.00 0.00 64.21 62.92 1x4x n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4x s SER 101 N -7.03 4.66 -0.03 -3.46 0.01 -1.26 -5.09 113.70 101.50 1x4x s SER 101 Ca -0.31 -0.56 -0.10 0.00 1.31 0.00 0.00 55.95 56.29 1x4x s SER 101 Cb 0.09 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.54 1x4x s SER 101 CO 0.60 -0.10 0.22 -0.83 0.41 0.00 0.00 173.24 173.55 1x4x s GLY 102 N 1.47 -0.09 0.00 3.44 0.00 -1.26 -5.02 107.32 105.87 1x4x s GLY 102 Ca 0.04 0.27 0.15 0.00 0.00 0.00 0.00 44.72 45.18 1x4x s GLY 102 CO -0.01 0.13 1.35 -1.55 0.00 0.00 0.00 173.10 173.02 1x4x n PRO 103 N 1.92 0.45 -4.40 2.90 -0.04 -1.26 -4.74 135.00 129.83 1x4x n PRO 103 Ca -0.19 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1x4x n PRO 103 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1x4x n PRO 103 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4x s SER 104 N -2.08 2.08 -0.37 3.54 0.15 -1.26 -5.13 113.70 110.63 1x4x s SER 104 Ca 0.22 -1.32 0.02 0.00 0.70 0.00 0.00 55.95 55.56 1x4x s SER 104 Cb 0.11 -0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.50 1x4x s SER 104 CO 0.19 -0.58 0.14 -0.44 1.20 0.00 0.00 173.24 173.74 1x4x s SER 105 N -3.41 4.17 0.00 5.45 0.01 -1.26 -5.11 113.70 113.55 1x4x s SER 105 Ca 0.34 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.42 1x4x s SER 105 Cb 0.07 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1x4x s SER 105 CO 0.13 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.04