#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sic s ALA 8 N 0.00 3.60 -0.50 -3.48 0.00 -1.26 -4.98 121.76 115.15 2sic s ALA 8 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 2sic s ALA 8 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2sic s ALA 8 CO 0.00 -0.88 1.29 -1.25 0.00 0.00 0.00 175.76 174.91 2sic s PRO 9 N 2.59 3.55 -0.15 0.00 0.05 -1.26 -4.63 135.00 135.15 2sic s PRO 9 Ca 0.27 0.59 -0.04 0.00 0.05 0.00 0.00 61.00 61.87 2sic s PRO 9 Cb -0.15 -4.01 0.07 0.00 0.05 0.00 0.00 34.50 30.46 2sic s PRO 9 CO 0.09 -1.61 0.24 0.45 0.05 0.00 0.00 177.00 176.22 2sic s SER 10 N 3.41 0.71 -0.29 6.66 0.15 -1.26 -2.00 113.70 121.08 2sic s SER 10 Ca 0.52 0.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.32 2sic s SER 10 Cb -0.10 0.56 0.12 0.00 -1.71 0.00 0.00 66.02 64.90 2sic s SER 10 CO 0.30 -0.27 0.80 0.00 1.20 0.00 0.00 173.24 175.27 2sic s ALA 11 N 2.38 -2.15 0.07 5.45 0.00 -0.99 -4.24 121.76 122.29 2sic s ALA 11 Ca 0.04 2.30 0.03 0.00 0.00 0.00 0.00 51.96 54.33 2sic s ALA 11 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2sic s ALA 11 CO -0.10 -0.57 -0.10 -0.51 0.00 0.00 0.00 175.76 174.48 2sic s LEU 12 N 1.94 2.31 -0.09 0.00 1.43 0.19 -1.42 118.68 123.04 2sic s LEU 12 Ca -0.08 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2sic s LEU 12 Cb -0.06 -0.30 0.02 0.00 0.03 0.00 0.00 46.19 45.87 2sic s LEU 12 CO -0.18 -0.19 -0.08 0.68 0.23 0.00 0.00 176.35 176.81 2sic s VAL 13 N -1.72 0.94 -0.12 -1.59 -7.23 0.15 -1.15 120.40 109.67 2sic s VAL 13 Ca -0.03 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2sic s VAL 13 Cb -0.07 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 2sic s VAL 13 CO 0.01 0.34 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.33 2sic s LEU 14 N 1.38 3.21 0.10 1.32 1.02 -0.11 -1.07 118.68 124.53 2sic s LEU 14 Ca -0.02 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.08 2sic s LEU 14 Cb -0.14 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2sic s LEU 14 CO -0.04 0.24 -0.10 0.42 0.02 0.00 0.00 176.35 176.88 2sic s THR 15 N -0.05 0.98 -0.07 5.49 -4.23 -1.02 0.01 115.64 116.75 2sic s THR 15 Ca 0.01 -1.67 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 2sic s THR 15 Cb -0.13 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.33 2sic s THR 15 CO 0.03 -0.56 0.17 0.54 -0.54 0.00 0.00 174.62 174.25 2sic s VAL 16 N -2.48 -0.02 0.12 2.29 0.11 0.11 -1.97 120.40 118.57 2sic s VAL 16 Ca 0.06 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 58.99 2sic s VAL 16 Cb -0.03 -0.25 0.05 0.00 -1.53 0.00 0.00 36.38 34.62 2sic s VAL 16 CO 0.00 0.03 0.50 -0.83 -3.33 0.00 0.00 175.10 171.47 2sic s GLY 17 N 0.55 -0.43 -0.25 6.54 0.00 -1.06 0.75 107.32 113.41 2sic s GLY 17 Ca -0.04 0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.71 2sic s GLY 17 CO -0.03 -0.01 0.86 1.25 0.00 0.00 0.00 173.10 175.17 2sic s LYS 18 N -3.51 4.16 0.00 2.90 2.47 -1.26 -0.06 119.74 124.44 2sic s LYS 18 Ca 0.01 0.95 0.00 0.00 -1.56 0.00 0.00 55.97 55.37 2sic s LYS 18 Cb 0.00 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.71 2sic s LYS 18 CO -0.10 -0.58 0.00 0.41 0.16 0.00 0.00 175.35 175.24 2sic n GLY 19 N 3.77 -0.80 0.09 5.54 0.00 -0.56 -4.57 105.19 108.65 2sic n GLY 19 Ca 0.06 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.50 2sic n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2sic n VAL 20 N 2.22 0.00 -3.82 1.61 3.14 -1.26 -3.24 118.33 116.99 2sic n VAL 20 Ca 0.00 -0.48 -0.11 0.00 -2.96 0.00 0.00 64.34 60.79 2sic n VAL 20 Cb 0.00 1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 33.75 2sic n VAL 20 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2sic s SER 21 N -0.56 -0.01 0.08 6.55 1.04 -1.26 -4.90 113.70 114.63 2sic s SER 21 Ca 0.03 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 2sic s SER 21 Cb 0.03 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 2sic s SER 21 CO 0.06 -0.60 1.05 0.00 0.98 0.00 0.00 173.24 174.73 2sic n ALA 22 N 0.54 -0.30 -3.45 5.32 0.00 -1.26 -2.31 120.51 119.03 2sic n ALA 22 Ca -0.18 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 2sic n ALA 22 Cb 0.60 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 20.02 2sic n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2sic s THR 23 N -4.44 -0.35 0.00 0.00 2.01 -1.26 -3.67 115.64 107.93 2sic s THR 23 Ca -0.06 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2sic s THR 23 Cb 0.05 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2sic s THR 23 CO 0.29 -0.35 0.00 0.35 -0.69 0.00 0.00 174.62 174.23 2sic n THR 24 N 5.31 0.00 -3.43 -0.82 -2.24 -1.25 -5.01 114.28 106.84 2sic n THR 24 Ca -0.04 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 2sic n THR 24 Cb 0.48 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 2sic n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2sic s ALA 25 N 0.00 0.77 0.17 6.98 0.00 -0.98 -4.54 121.76 124.16 2sic s ALA 25 Ca 0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 51.96 49.81 2sic s ALA 25 Cb 0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 23.12 21.30 2sic s ALA 25 CO 0.00 -2.09 1.38 0.00 0.00 0.00 0.00 175.76 175.05 2sic n ALA 26 N 3.86 0.32 -2.58 0.00 0.00 -1.26 -4.80 120.51 116.04 2sic n ALA 26 Ca 0.15 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.62 2sic n ALA 26 Cb 0.40 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2sic n ALA 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2sic s PRO 27 N 0.13 3.58 0.06 0.00 0.04 -1.26 -4.08 135.00 133.46 2sic s PRO 27 Ca 0.75 0.37 0.06 0.00 0.04 0.00 0.00 61.00 62.22 2sic s PRO 27 Cb -0.77 -3.98 -0.23 0.00 0.04 0.00 0.00 34.50 29.56 2sic s PRO 27 CO 0.46 -1.59 1.04 1.05 0.04 0.00 0.00 177.00 178.01 2sic h GLU 28 N 9.49 0.07 -4.59 4.56 4.11 -0.01 -3.47 114.58 124.74 2sic h GLU 28 Ca -0.24 -0.11 -0.30 0.00 0.07 0.00 0.00 59.36 58.77 2sic h GLU 28 Cb 1.06 0.04 -0.23 0.00 0.50 0.00 0.00 28.75 30.12 2sic h GLU 28 CO 1.17 0.91 -0.74 1.03 0.07 0.00 0.00 179.01 181.45 2sic s ARG 29 N -2.66 0.54 -0.20 1.06 3.00 -0.53 -5.00 118.95 115.16 2sic s ARG 29 Ca -0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 55.73 54.94 2sic s ARG 29 Cb 0.09 -0.38 0.06 0.00 0.00 0.00 0.00 34.95 34.73 2sic s ARG 29 CO 0.83 0.08 0.50 0.00 0.00 0.00 0.00 175.30 176.71 2sic s ALA 30 N -1.09 -1.31 0.19 2.13 0.00 -1.26 -0.71 121.76 119.71 2sic s ALA 30 Ca -0.07 1.80 0.04 0.00 0.00 0.00 0.00 51.96 53.73 2sic s ALA 30 Cb -0.08 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2sic s ALA 30 CO 0.00 -0.30 -0.04 0.14 0.00 0.00 0.00 175.76 175.56 2sic s VAL 31 N 1.44 1.04 0.04 0.00 -7.23 0.10 -4.99 120.40 110.80 2sic s VAL 31 Ca -0.09 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.11 2sic s VAL 31 Cb -0.07 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2sic s VAL 31 CO -0.15 -0.51 -0.22 0.42 -0.31 0.00 0.00 175.10 174.34 2sic s THR 32 N -3.41 1.79 -0.03 5.32 -4.23 -1.24 -0.93 115.64 112.91 2sic s THR 32 Ca 0.23 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2sic s THR 32 Cb 0.04 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.36 2sic s THR 32 CO 0.05 0.28 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.15 2sic s LEU 33 N -1.11 1.53 -0.16 4.79 2.96 -0.30 -1.19 118.68 125.20 2sic s LEU 33 Ca 0.09 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2sic s LEU 33 Cb -0.09 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.31 2sic s LEU 33 CO 0.02 -0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.05 2sic s THR 34 N 0.56 1.30 -0.15 3.68 2.01 -0.28 -0.64 115.64 122.12 2sic s THR 34 Ca -0.07 -0.63 0.22 0.00 0.31 0.00 0.00 61.69 61.52 2sic s THR 34 Cb -0.10 -1.36 -0.15 0.00 0.01 0.00 0.00 72.50 70.90 2sic s THR 34 CO -0.00 0.26 0.80 0.00 -0.69 0.00 0.00 174.62 174.98 2sic s ALA 36 N -3.43 2.07 0.00 0.00 0.00 -1.26 -3.41 121.76 115.73 2sic s ALA 36 Ca -0.04 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.71 2sic s ALA 36 Cb 0.11 -0.67 -0.15 0.00 0.00 0.00 0.00 23.12 22.41 2sic s ALA 36 CO 0.84 0.37 1.08 -1.00 0.00 0.00 0.00 175.76 177.06 2sic h PRO 37 N 6.22 -0.59 -6.14 0.00 0.13 -1.91 -3.43 132.00 126.28 2sic h PRO 37 Ca -0.30 0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 2sic h PRO 37 Cb 1.19 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2sic h PRO 37 CO 0.47 -0.29 -0.49 0.20 -0.23 0.00 0.00 178.00 177.66 2sic s GLY 38 N -2.69 1.55 -0.29 1.56 0.00 -1.25 -5.03 107.32 101.17 2sic s GLY 38 Ca -0.13 -1.17 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 2sic s GLY 38 CO 0.46 -1.19 1.69 2.56 0.00 0.00 0.00 173.10 176.62 2sic s PRO 39 N -3.47 3.54 0.06 2.90 0.04 -1.22 -4.37 135.00 132.48 2sic s PRO 39 Ca 0.33 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.86 2sic s PRO 39 Cb -0.10 -4.12 -0.00 0.00 0.04 0.00 0.00 34.50 30.32 2sic s PRO 39 CO 0.27 -1.61 0.04 -1.13 0.04 0.00 0.00 177.00 174.62 2sic n SER 40 N 9.42 0.10 0.00 6.66 3.41 0.16 -4.58 113.62 128.79 2sic n SER 40 Ca 0.21 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2sic n SER 40 Cb 0.46 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 2sic n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2sic n GLY 41 N 0.27 0.44 3.12 5.00 0.00 -1.26 -1.13 105.19 111.63 2sic n GLY 41 Ca 0.01 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 2sic n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2sic n THR 42 N 0.96 4.41 -3.59 2.61 -2.24 -0.33 -4.94 114.28 111.16 2sic n THR 42 Ca 0.00 -5.52 -0.23 0.00 -2.27 0.00 0.00 64.05 56.03 2sic n THR 42 Cb 0.00 -2.34 -0.16 0.00 -2.10 0.00 0.00 70.33 65.73 2sic n THR 42 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2sic s HIS 43 N -1.92 0.04 -1.35 4.78 5.04 -1.26 -3.64 115.29 116.97 2sic s HIS 43 Ca 0.31 -0.08 0.00 0.00 -1.54 0.00 0.00 55.06 53.75 2sic s HIS 43 Cb -0.03 -0.56 0.00 0.00 0.04 0.00 0.00 32.58 32.03 2sic s HIS 43 CO -0.02 -0.50 0.00 -0.35 -2.34 0.00 0.00 174.74 171.53 2sic n PRO 44 N 5.29 0.00 -2.69 2.88 -0.04 -1.26 -1.78 135.00 137.40 2sic n PRO 44 Ca -0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 2sic n PRO 44 Cb 0.49 -0.99 0.08 0.00 -0.04 0.00 0.00 33.50 33.04 2sic n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2sic n ALA 45 N -0.31 -1.03 0.17 0.55 0.00 -1.26 -5.06 120.51 113.57 2sic n ALA 45 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 53.44 52.38 2sic n ALA 45 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 17.90 2sic n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2sic h ALA 46 N 2.17 -1.03 -0.99 0.00 0.00 -1.69 -2.68 119.26 115.04 2sic h ALA 46 Ca -0.29 -0.10 0.30 0.00 0.00 0.00 0.00 54.91 54.81 2sic h ALA 46 Cb 1.21 0.33 -0.18 0.00 0.00 0.00 0.00 17.79 19.15 2sic h ALA 46 CO -0.02 -1.02 0.12 0.41 0.00 0.00 0.00 179.25 178.73 2sic n GLY 47 N -1.25 -1.23 0.06 0.00 0.00 -1.26 -2.11 105.19 99.40 2sic n GLY 47 Ca -0.06 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 46.76 2sic n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2sic h SER 48 N 0.00 0.01 -0.35 1.61 0.02 -1.96 -2.87 113.55 110.01 2sic h SER 48 Ca 0.64 -0.69 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2sic h SER 48 Cb 1.42 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.89 2sic h SER 48 CO -0.90 0.70 -0.10 0.00 -1.14 0.00 0.00 176.83 175.40 2sic h ALA 49 N 0.31 0.21 -0.72 3.77 0.00 -1.07 0.61 119.26 122.37 2sic h ALA 49 Ca -0.00 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.19 2sic h ALA 49 Cb 0.70 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2sic h ALA 49 CO 0.00 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 178.99 2sic h ALA 51 N 1.58 0.83 -0.21 0.00 0.00 -0.74 0.84 119.26 121.55 2sic h ALA 51 Ca 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2sic h ALA 51 Cb 0.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2sic h ALA 51 CO -0.47 0.30 0.09 -0.44 0.00 0.00 0.00 179.25 178.74 2sic h ASP 52 N 0.88 0.28 0.01 0.00 3.32 0.40 -0.94 116.42 120.38 2sic h ASP 52 Ca 0.23 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2sic h ASP 52 Cb -0.02 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2sic h ASP 52 CO -0.04 0.35 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.75 2sic h LEU 53 N 0.20 -0.02 -0.64 1.55 3.38 -0.35 -2.69 115.31 116.73 2sic h LEU 53 Ca 0.07 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2sic h LEU 53 Cb 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 2sic h LEU 53 CO -0.01 0.12 -0.52 0.00 0.09 0.00 0.00 178.44 178.11 2sic h ALA 54 N 0.84 -0.55 -2.51 1.53 0.00 0.87 2.06 119.26 121.51 2sic h ALA 54 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2sic h ALA 54 Cb 0.14 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2sic h ALA 54 CO 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 179.25 178.31 2sic n ALA 55 N -3.17 0.00 0.00 0.00 0.00 -0.37 -1.33 120.51 115.64 2sic n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2sic n ALA 55 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2sic n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2sic n VAL 56 N 0.00 1.03 -3.18 0.00 0.31 -1.05 -4.84 118.33 110.60 2sic n VAL 56 Ca 0.00 0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 64.56 2sic n VAL 56 Cb 0.00 -1.32 0.04 0.00 -0.91 0.00 0.00 33.84 31.65 2sic n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2sic n GLY 57 N -1.22 -1.20 3.54 2.92 0.00 0.68 -3.18 105.19 106.73 2sic n GLY 57 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2sic n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sic n GLY 58 N -1.45 0.23 3.50 -0.02 0.00 -0.33 -4.93 105.19 102.18 2sic n GLY 58 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2sic n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2sic s ASP 59 N -2.20 6.52 0.51 1.61 2.15 -1.19 -5.00 116.67 119.07 2sic s ASP 59 Ca 0.00 -1.65 -0.23 0.00 0.43 0.00 0.00 52.55 51.10 2sic s ASP 59 Cb 0.00 -2.48 -0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2sic s ASP 59 CO 0.00 -1.31 1.40 0.18 -0.17 0.00 0.00 175.17 175.27 2sic n LEU 60 N 7.73 5.39 0.00 -1.34 7.99 -1.26 -1.81 117.00 133.71 2sic n LEU 60 Ca 0.25 1.04 0.00 0.00 -0.01 0.00 0.00 56.01 57.29 2sic n LEU 60 Cb 0.50 -1.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.21 2sic n LEU 60 CO 0.59 -0.38 0.00 0.59 -1.51 0.00 0.00 177.39 176.68 2sic n ASN 61 N -0.66 0.00 -2.48 -1.43 5.03 -1.26 -4.89 115.26 109.56 2sic n ASN 61 Ca 0.08 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.40 2sic n ASN 61 Cb 0.43 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.22 2sic n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2sic n ALA 62 N -1.68 3.88 -3.88 5.41 0.00 -0.75 -4.99 120.51 118.49 2sic n ALA 62 Ca 0.00 -3.38 -0.32 0.00 0.00 0.00 0.00 53.44 49.75 2sic n ALA 62 Cb 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 2sic n ALA 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2sic s LEU 63 N -3.60 4.61 0.29 0.00 2.96 -1.26 -4.77 118.68 116.92 2sic s LEU 63 Ca 0.38 -3.06 -0.29 0.00 -0.22 0.00 0.00 54.13 50.94 2sic s LEU 63 Cb 0.38 -1.70 -0.13 0.00 0.50 0.00 0.00 46.19 45.24 2sic s LEU 63 CO -0.02 -0.25 1.35 0.35 -1.32 0.00 0.00 176.35 176.45 2sic n THR 64 N 3.10 1.50 0.00 3.68 -2.24 -1.26 -4.64 114.28 114.42 2sic n THR 64 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2sic n THR 64 Cb 0.34 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2sic n THR 64 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2sic n ARG 65 N 1.28 2.01 0.00 -0.78 0.63 -1.24 -4.51 116.66 114.04 2sic n ARG 65 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2sic n ARG 65 Cb 0.34 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.25 2sic n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2sic n GLY 66 N 0.00 -0.34 1.93 5.14 0.00 -0.82 -4.65 105.19 106.46 2sic n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2sic n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2sic n GLU 67 N -2.42 0.00 0.00 1.61 -0.58 -1.26 -4.66 120.64 113.33 2sic n GLU 67 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2sic n GLU 67 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2sic n GLU 67 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2sic n ASP 68 N 0.75 1.03 -4.15 1.62 2.03 -1.26 -5.03 116.55 111.56 2sic n ASP 68 Ca 0.00 -1.02 -0.23 0.00 0.52 0.00 0.00 54.79 54.06 2sic n ASP 68 Cb 0.00 0.47 -0.15 0.00 -0.72 0.00 0.00 41.12 40.72 2sic n ASP 68 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2sic s VAL 69 N -1.14 1.25 0.04 5.18 0.11 -1.26 -5.13 120.40 119.45 2sic s VAL 69 Ca 0.06 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 2sic s VAL 69 Cb 0.06 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2sic s VAL 69 CO 0.19 0.28 0.05 -0.04 -3.33 0.00 0.00 175.10 172.25 2sic s MET 70 N -0.56 2.85 0.23 1.54 -1.94 -1.26 -4.92 119.30 115.23 2sic s MET 70 Ca 0.05 -0.65 0.11 0.00 -1.71 0.00 0.00 55.69 53.50 2sic s MET 70 Cb -0.07 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 2sic s MET 70 CO -0.00 0.59 -0.22 0.00 -0.01 0.00 0.00 175.02 175.38 2sic s PRO 72 N -3.03 3.00 -0.53 0.00 0.02 -1.26 -4.92 135.00 128.28 2sic s PRO 72 Ca 0.24 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 62.91 2sic s PRO 72 Cb -0.06 -1.95 0.25 0.00 0.02 0.00 0.00 34.50 32.75 2sic s PRO 72 CO 0.12 -1.15 2.25 -1.33 -0.33 0.00 0.00 177.00 176.56 2sic n MET 73 N -1.74 2.35 -3.16 5.54 2.81 -1.26 -4.90 117.12 116.75 2sic n MET 73 Ca 0.12 -2.53 -0.37 0.00 -1.81 0.00 0.00 57.70 53.12 2sic n MET 73 Cb 0.51 -2.04 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 2sic n MET 73 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2sic s VAL 74 N -3.35 4.63 -0.46 2.03 -7.23 -1.26 -5.04 120.40 109.72 2sic s VAL 74 Ca 0.51 1.23 -0.10 0.00 -1.81 0.00 0.00 61.98 61.81 2sic s VAL 74 Cb 0.38 -3.87 0.10 0.00 0.56 0.00 0.00 36.38 33.56 2sic s VAL 74 CO -0.14 0.30 0.32 -0.47 -0.31 0.00 0.00 175.10 174.80 2sic s TYR 75 N -1.41 3.39 -0.44 2.82 5.04 -1.26 -4.42 117.35 121.06 2sic s TYR 75 Ca 0.39 -1.71 0.05 0.00 -2.44 0.00 0.00 57.07 53.36 2sic s TYR 75 Cb -0.17 -3.32 0.17 0.00 0.35 0.00 0.00 41.96 39.00 2sic s TYR 75 CO 0.21 -0.94 0.45 0.34 -1.34 0.00 0.00 175.55 174.27 2sic s ASP 76 N 2.52 0.62 0.59 4.32 2.15 0.57 -5.03 116.67 122.41 2sic s ASP 76 Ca 0.05 -2.67 -0.20 0.00 0.43 0.00 0.00 52.55 50.16 2sic s ASP 76 Cb -0.25 0.23 -0.03 0.00 -0.30 0.00 0.00 42.92 42.57 2sic s ASP 76 CO 0.01 -0.14 1.28 -2.16 -0.17 0.00 0.00 175.17 173.99 2sic s PRO 77 N 0.32 2.89 -0.05 4.34 0.04 -1.08 -3.70 135.00 137.76 2sic s PRO 77 Ca 0.32 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.42 2sic s PRO 77 Cb 0.02 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2sic s PRO 77 CO -0.15 -1.33 -0.10 0.54 0.04 0.00 0.00 177.00 176.00 2sic s VAL 78 N -1.42 0.91 -0.22 -0.36 0.11 -0.62 -1.49 120.40 117.31 2sic s VAL 78 Ca 0.77 -0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 59.36 2sic s VAL 78 Cb -0.36 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 2sic s VAL 78 CO 0.40 0.30 0.13 -0.22 -3.33 0.00 0.00 175.10 172.38 2sic s LEU 79 N 0.60 4.06 -0.13 2.54 2.96 0.92 -0.71 118.68 128.92 2sic s LEU 79 Ca -0.11 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2sic s LEU 79 Cb -0.14 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 2sic s LEU 79 CO 0.02 0.11 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.86 2sic s LEU 80 N 0.79 3.03 0.00 -0.68 2.96 -0.36 -2.57 118.68 121.84 2sic s LEU 80 Ca 0.07 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2sic s LEU 80 Cb -0.13 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2sic s LEU 80 CO 0.02 0.20 -0.24 0.42 -1.32 0.00 0.00 176.35 175.44 2sic s THR 81 N 0.13 1.89 -0.08 3.68 -4.23 -0.83 -0.92 115.64 115.28 2sic s THR 81 Ca -0.04 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2sic s THR 81 Cb -0.14 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.13 2sic s THR 81 CO 0.04 0.46 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.76 2sic s VAL 82 N -0.63 1.18 0.00 2.29 1.01 0.16 -2.44 120.40 121.97 2sic s VAL 82 Ca 0.09 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2sic s VAL 82 Cb -0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2sic s VAL 82 CO -0.00 0.37 -0.03 -1.81 0.00 0.00 0.00 175.10 173.63 2sic s ASP 83 N 0.83 0.36 0.00 3.32 1.01 -0.23 -0.10 116.67 121.86 2sic s ASP 83 Ca -0.11 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.02 2sic s ASP 83 Cb -0.15 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.76 2sic s ASP 83 CO 0.02 -0.01 0.00 0.61 0.21 0.00 0.00 175.17 175.99 2sic n GLY 84 N 2.77 0.21 2.92 0.21 0.00 -0.65 0.29 105.19 110.94 2sic n GLY 84 Ca -0.14 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 2sic n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2sic s VAL 85 N -4.00 0.06 -0.09 1.61 -7.23 -0.51 0.45 120.40 110.69 2sic s VAL 85 Ca 0.00 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 2sic s VAL 85 Cb 0.00 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.84 2sic s VAL 85 CO 0.00 -0.19 -0.07 0.86 -0.31 0.00 0.00 175.10 175.39 2sic s TRP 86 N -0.56 1.33 -1.44 2.82 -0.00 0.12 -2.34 118.94 118.87 2sic s TRP 86 Ca -0.06 -0.60 -0.03 0.00 -0.00 0.00 0.00 56.10 55.42 2sic s TRP 86 Cb -0.04 -1.11 0.02 0.00 -0.00 0.00 0.00 33.47 32.34 2sic s TRP 86 CO -0.00 -0.42 0.49 0.94 -0.00 0.00 0.00 176.95 177.96 2sic n GLN 87 N 4.66 -3.42 -2.64 5.86 0.00 -1.18 -0.62 117.38 120.04 2sic n GLN 87 Ca -0.15 0.42 -0.15 0.00 -0.00 0.00 0.00 57.00 57.11 2sic n GLN 87 Cb 0.50 -4.65 -0.00 0.00 0.00 0.00 0.00 30.24 26.09 2sic n GLN 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2sic n GLY 88 N -1.89 -0.50 3.26 1.69 0.00 -0.85 -4.94 105.19 101.96 2sic n GLY 88 Ca -0.25 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2sic n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2sic s LYS 89 N -5.24 3.18 0.55 1.61 2.20 0.20 -5.08 119.74 117.17 2sic s LYS 89 Ca 0.09 -0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 54.71 2sic s LYS 89 Cb -0.04 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 2sic s LYS 89 CO 0.11 0.07 1.32 1.03 -0.36 0.00 0.00 175.35 177.52 2sic s ARG 90 N 0.66 3.15 -0.02 4.03 0.52 -1.26 -0.70 118.95 125.32 2sic s ARG 90 Ca -0.09 2.15 0.01 0.00 -0.52 0.00 0.00 55.73 57.28 2sic s ARG 90 Cb -0.16 -2.22 0.02 0.00 0.52 0.00 0.00 34.95 33.11 2sic s ARG 90 CO 0.02 -1.16 -0.03 0.08 0.02 0.00 0.00 175.30 174.24 2sic s VAL 91 N -1.35 0.32 -0.36 3.52 1.01 0.17 -4.85 120.40 118.86 2sic s VAL 91 Ca 0.72 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2sic s VAL 91 Cb -0.38 -0.35 0.15 0.00 0.00 0.00 0.00 36.38 35.79 2sic s VAL 91 CO 0.45 0.15 0.32 -0.94 0.00 0.00 0.00 175.10 175.08 2sic s SER 92 N 0.62 1.72 0.11 3.32 1.04 -1.25 -1.63 113.70 117.63 2sic s SER 92 Ca -0.07 -1.70 0.03 0.00 0.48 0.00 0.00 55.95 54.69 2sic s SER 92 Cb -0.10 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2sic s SER 92 CO -0.01 -0.28 0.18 -0.47 0.98 0.00 0.00 173.24 173.64 2sic s TYR 93 N 1.39 3.34 -0.24 5.02 5.04 0.85 -4.94 117.35 127.82 2sic s TYR 93 Ca 0.17 0.11 -0.16 0.00 -2.44 0.00 0.00 57.07 54.75 2sic s TYR 93 Cb -0.17 -1.64 0.07 0.00 0.35 0.00 0.00 41.96 40.56 2sic s TYR 93 CO -0.04 0.54 0.60 -2.00 -1.34 0.00 0.00 175.55 173.30 2sic s GLU 94 N -2.81 0.63 -0.20 4.97 2.12 -1.26 0.36 118.70 122.51 2sic s GLU 94 Ca 0.33 1.01 -0.13 0.00 0.36 0.00 0.00 54.97 56.54 2sic s GLU 94 Cb -0.12 0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.49 2sic s GLU 94 CO 0.26 -0.13 0.49 0.50 -0.54 0.00 0.00 175.26 175.83 2sic s ARG 95 N 1.22 0.52 -0.19 4.30 3.52 -0.10 -5.00 118.95 123.22 2sic s ARG 95 Ca -0.07 0.85 -0.12 0.00 -0.13 0.00 0.00 55.73 56.26 2sic s ARG 95 Cb -0.06 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.39 2sic s ARG 95 CO -0.12 -0.13 0.20 0.14 -0.81 0.00 0.00 175.30 174.57 2sic s VAL 96 N 1.09 5.36 0.08 7.11 -7.23 -1.26 -1.23 120.40 124.32 2sic s VAL 96 Ca -0.07 0.33 0.05 0.00 -1.81 0.00 0.00 61.98 60.49 2sic s VAL 96 Cb -0.06 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 2sic s VAL 96 CO -0.10 0.41 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.73 2sic s PHE 97 N 0.47 2.96 0.31 2.82 0.40 0.11 -4.96 117.98 120.09 2sic s PHE 97 Ca 0.11 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 2sic s PHE 97 Cb -0.12 -1.54 0.70 0.00 0.51 0.00 0.00 43.02 42.57 2sic s PHE 97 CO 0.01 0.47 1.82 0.77 0.70 0.00 0.00 175.22 178.99 2sic h SER 98 N 3.59 0.80 -5.16 1.36 0.02 -1.88 -1.64 113.55 110.63 2sic h SER 98 Ca -0.48 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 60.63 2sic h SER 98 Cb 1.17 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 2sic h SER 98 CO 0.58 0.36 0.36 0.54 -1.14 0.00 0.00 176.83 177.54 2sic s ASN 99 N -5.60 -0.14 0.27 3.07 2.20 -1.24 -0.32 114.94 113.17 2sic s ASN 99 Ca -0.11 -0.67 -0.00 0.00 -0.94 0.00 0.00 52.86 51.14 2sic s ASN 99 Cb 0.23 0.65 0.36 0.00 -2.00 0.00 0.00 41.25 40.49 2sic s ASN 99 CO 0.80 -1.24 1.73 -0.08 -2.94 0.00 0.00 177.10 175.37 2sic h GLU 100 N 2.00 0.63 -0.83 3.55 4.81 -1.88 -2.70 114.58 120.17 2sic h GLU 100 Ca -0.24 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 2sic h GLU 100 Cb 1.24 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 2sic h GLU 100 CO 0.29 0.76 0.51 0.00 -0.73 0.00 0.00 179.01 179.84 2sic h GLU 102 N 0.94 1.14 -0.39 0.00 4.57 -1.87 -0.97 114.58 118.00 2sic h GLU 102 Ca 0.36 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2sic h GLU 102 Cb 0.16 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2sic h GLU 102 CO -0.17 0.99 0.26 1.98 -1.18 0.00 0.00 179.01 180.89 2sic h MET 103 N 1.09 0.51 0.00 1.92 4.05 -1.00 -2.52 114.93 118.98 2sic h MET 103 Ca 0.23 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2sic h MET 103 Cb 0.35 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2sic h MET 103 CO -0.00 0.33 -0.03 -0.91 0.23 0.00 0.00 176.91 176.53 2sic h ASN 104 N 0.52 0.00 -0.01 1.39 -0.26 -0.49 -2.86 115.58 113.87 2sic h ASN 104 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2sic h ASN 104 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2sic h ASN 104 CO -0.04 0.03 0.00 0.00 -1.06 0.00 0.00 177.43 176.37 2sic n ALA 105 N -2.11 2.63 -0.05 -0.83 0.00 -0.39 -4.25 120.51 115.51 2sic n ALA 105 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 2sic n ALA 105 Cb 0.38 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 2sic n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2sic h HIS 106 N 1.00 0.00 0.00 0.00 3.86 -1.46 -2.17 115.15 116.38 2sic h HIS 106 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2sic h HIS 106 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2sic h HIS 106 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 2sic n GLY 107 N 1.74 -0.46 0.44 2.45 0.00 -1.26 -3.63 105.19 104.48 2sic n GLY 107 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2sic n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2sic n SER 108 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.75 113.62 112.10 2sic n SER 108 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2sic n SER 108 Cb 0.00 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2sic n SER 108 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2sic n SER 109 N -1.60 0.00 -0.02 -3.46 3.41 -1.26 -4.66 113.62 106.04 2sic n SER 109 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2sic n SER 109 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2sic n SER 109 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2sic h VAL 110 N 0.00 0.00 -3.72 -3.33 2.07 -1.87 -0.21 116.25 109.19 2sic h VAL 110 Ca 0.00 0.00 -0.78 0.00 0.82 0.00 0.00 66.70 66.74 2sic h VAL 110 Cb 0.00 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 29.52 2sic h VAL 110 CO 0.00 0.00 0.16 -0.36 0.02 0.00 0.00 177.57 177.39 2sic s PHE 111 N -5.21 3.72 -0.13 1.57 0.08 -1.26 -4.32 117.98 112.42 2sic s PHE 111 Ca -0.13 -1.96 0.19 0.00 0.12 0.00 0.00 56.93 55.15 2sic s PHE 111 Cb 0.06 -3.86 0.38 0.00 -0.57 0.00 0.00 43.02 39.03 2sic s PHE 111 CO 0.50 -1.03 1.18 0.00 -0.10 0.00 0.00 175.22 175.77 2sic n ALA 112 N 4.15 2.75 -1.95 5.36 0.00 -0.09 -4.19 120.51 126.55 2sic n ALA 112 Ca 0.15 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.60 2sic n ALA 112 Cb 0.47 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2sic n ALA 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84