#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic s SER 2 N 0.00 6.03 -0.23 1.61 0.01 -1.26 -5.04 113.70 114.83 1wic s SER 2 Ca 0.00 -3.17 -0.09 0.00 1.31 0.00 0.00 55.95 54.01 1wic s SER 2 Cb 0.00 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 1wic s SER 2 CO 0.00 -0.35 0.11 -0.55 0.41 0.00 0.00 173.24 172.86 1wic s SER 3 N 0.83 5.63 0.00 2.44 0.15 -1.26 -5.04 113.70 116.45 1wic s SER 3 Ca 0.22 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1wic s SER 3 Cb -0.13 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1wic s SER 3 CO -0.08 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1wic n GLY 4 N 4.40 4.50 0.29 9.45 0.00 -1.26 -5.09 105.19 117.48 1wic n GLY 4 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1wic n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wic n SER 5 N 0.00 -0.30 -1.41 1.61 2.88 -1.26 -5.16 113.62 109.97 1wic n SER 5 Ca 0.00 0.27 0.17 0.00 -1.33 0.00 0.00 58.87 57.98 1wic n SER 5 Cb 0.00 0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.88 1wic n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wic n SER 6 N -2.55 -7.66 0.00 -3.46 7.64 -1.26 -5.05 113.62 101.27 1wic n SER 6 Ca 0.00 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1wic n SER 6 Cb 0.00 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.33 1wic n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 7 N -4.28 0.21 3.16 0.23 0.00 -1.26 -5.08 105.19 98.17 1wic n GLY 7 Ca -0.09 -2.29 0.04 0.00 0.00 0.00 0.00 46.02 43.68 1wic n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wic s LYS 8 N 0.00 0.01 0.32 1.61 1.02 -1.26 -5.17 119.74 116.27 1wic s LYS 8 Ca 0.00 0.03 -0.08 0.00 0.02 0.00 0.00 55.97 55.95 1wic s LYS 8 Cb 0.00 0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1wic s LYS 8 CO 0.00 -0.00 0.63 -1.59 -0.92 0.00 0.00 175.35 173.46 1wic s LYS 9 N 2.04 3.71 -0.43 1.68 0.00 -1.26 -5.01 119.74 120.46 1wic s LYS 9 Ca 0.01 0.20 -0.29 0.00 0.00 0.00 0.00 55.97 55.89 1wic s LYS 9 Cb -0.00 -2.56 0.01 0.00 0.00 0.00 0.00 37.83 35.28 1wic s LYS 9 CO -0.16 0.14 1.42 -1.25 0.00 0.00 0.00 175.35 175.50 1wic s PRO 10 N -3.55 3.53 0.65 1.78 0.04 -1.26 -5.00 135.00 131.19 1wic s PRO 10 Ca 0.47 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1wic s PRO 10 Cb -0.11 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.38 1wic s PRO 10 CO 0.29 -1.63 1.05 -1.17 0.04 0.00 0.00 177.00 175.58 1wic s LEU 11 N 5.57 3.27 0.00 -3.56 2.96 -1.26 -5.07 118.68 120.58 1wic s LEU 11 Ca 0.61 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1wic s LEU 11 Cb -0.13 -4.50 -0.00 0.00 0.50 0.00 0.00 46.19 42.05 1wic s LEU 11 CO 0.32 -1.25 -0.01 -0.44 -1.32 0.00 0.00 176.35 173.65 1wic s SER 12 N -3.55 0.07 -0.01 3.68 0.01 -1.26 -5.11 113.70 107.53 1wic s SER 12 Ca 0.59 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.86 1wic s SER 12 Cb -0.14 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 1wic s SER 12 CO 0.49 -0.00 -0.13 0.68 0.41 0.00 0.00 173.24 174.68 1wic s VAL 13 N -0.06 1.07 -0.81 3.43 -7.23 -1.26 -0.90 120.40 114.63 1wic s VAL 13 Ca -0.00 -0.57 -0.25 0.00 -1.81 0.00 0.00 61.98 59.34 1wic s VAL 13 Cb -0.01 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1wic s VAL 13 CO -0.00 0.30 1.60 0.12 -0.31 0.00 0.00 175.10 176.81 1wic s PHE 14 N -0.25 2.10 -0.15 2.82 5.36 0.12 -4.75 117.98 123.22 1wic s PHE 14 Ca 0.04 0.09 -0.29 0.00 -0.96 0.00 0.00 56.93 55.81 1wic s PHE 14 Cb -0.06 -4.40 -0.05 0.00 -0.34 0.00 0.00 43.02 38.17 1wic s PHE 14 CO -0.00 -2.03 1.84 0.15 -1.46 0.00 0.00 175.22 173.71 1wic s LYS 15 N 6.12 3.75 0.38 10.12 -0.14 -1.26 -1.50 119.74 137.22 1wic s LYS 15 Ca 0.53 2.00 0.04 0.00 -1.36 0.00 0.00 55.97 57.18 1wic s LYS 15 Cb -0.07 -4.14 -0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1wic s LYS 15 CO 0.07 -1.37 0.55 0.20 -0.76 0.00 0.00 175.35 174.04 1wic s GLY 16 N 5.14 1.61 0.31 -3.33 0.00 -1.25 -4.97 107.32 104.83 1wic s GLY 16 Ca 0.82 -1.33 0.26 0.00 0.00 0.00 0.00 44.72 44.47 1wic s GLY 16 CO 0.33 -1.21 1.76 -0.56 0.00 0.00 0.00 173.10 173.43 1wic h PRO 17 N 0.69 0.00 0.00 2.90 0.13 -1.99 -3.41 132.00 130.32 1wic h PRO 17 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wic h PRO 17 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wic h PRO 17 CO 0.54 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.59 1wic n LEU 18 N -2.48 0.00 -4.52 1.56 4.77 -1.26 -4.70 117.00 110.37 1wic n LEU 18 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 1wic n LEU 18 Cb 0.35 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1wic n LEU 18 CO 0.27 -0.35 -0.38 -0.22 -1.33 0.00 0.00 177.39 175.38 1wic s LEU 19 N -4.08 3.13 0.47 2.23 1.98 -1.26 -2.35 118.68 118.81 1wic s LEU 19 Ca 0.00 -0.11 -0.13 0.00 -2.89 0.00 0.00 54.13 50.99 1wic s LEU 19 Cb 0.00 -1.71 -0.07 0.00 0.66 0.00 0.00 46.19 45.07 1wic s LEU 19 CO 0.00 0.26 0.89 -1.00 -1.89 0.00 0.00 176.35 174.61 1wic s HIS 20 N -0.17 3.47 -0.01 5.38 3.76 0.33 -3.77 115.29 124.29 1wic s HIS 20 Ca 0.02 1.27 0.06 0.00 -0.15 0.00 0.00 55.06 56.26 1wic s HIS 20 Cb -0.13 -2.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.91 1wic s HIS 20 CO 0.03 -0.28 -0.20 0.42 -0.85 0.00 0.00 174.74 173.86 1wic s ILE 21 N -2.55 1.60 -0.16 0.60 -1.09 -0.56 -2.86 121.20 116.18 1wic s ILE 21 Ca 0.55 -0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 58.01 1wic s ILE 21 Cb -0.10 -1.33 0.06 0.00 -1.58 0.00 0.00 42.46 39.50 1wic s ILE 21 CO 0.33 0.45 0.39 -0.55 -1.23 0.00 0.00 174.94 174.33 1wic s SER 22 N -0.49 -0.49 1.10 3.58 0.15 -0.67 0.11 113.70 116.99 1wic s SER 22 Ca 0.08 0.85 -0.18 0.00 0.70 0.00 0.00 55.95 57.40 1wic s SER 22 Cb -0.08 0.73 0.25 0.00 -1.71 0.00 0.00 66.02 65.22 1wic s SER 22 CO -0.01 -0.19 1.23 -2.16 1.20 0.00 0.00 173.24 173.31 1wic s PRO 23 N 1.36 -0.42 0.00 5.44 0.04 -1.26 -0.81 135.00 139.35 1wic s PRO 23 Ca -0.09 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1wic s PRO 23 Cb -0.08 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wic s PRO 23 CO -0.12 -3.14 0.00 0.00 0.04 0.00 0.00 177.00 173.78 1wic n ALA 24 N -4.30 0.00 -3.08 8.56 0.00 -0.08 -4.51 120.51 117.09 1wic n ALA 24 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 1wic n ALA 24 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 1wic n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wic n GLU 25 N 0.00 2.22 -3.15 0.00 0.00 -1.26 -4.67 120.64 113.78 1wic n GLU 25 Ca 0.00 -4.21 0.04 0.00 0.00 0.00 0.00 57.16 52.99 1wic n GLU 25 Cb 0.00 -1.99 -0.00 0.00 0.00 0.00 0.00 31.44 29.45 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1wic s GLU 26 N -2.90 0.49 -0.10 3.44 4.04 -1.22 -4.43 118.70 118.03 1wic s GLU 26 Ca 0.44 0.63 -0.06 0.00 0.04 0.00 0.00 54.97 56.03 1wic s GLU 26 Cb 0.29 0.32 -0.04 0.00 0.02 0.00 0.00 34.13 34.72 1wic s GLU 26 CO -0.11 -0.77 0.13 -0.51 -1.84 0.00 0.00 175.26 172.16 1wic s LEU 27 N 2.86 4.27 -0.40 1.83 1.43 0.52 -4.70 118.68 124.48 1wic s LEU 27 Ca 0.14 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1wic s LEU 27 Cb -0.11 -2.12 0.13 0.00 0.03 0.00 0.00 46.19 44.12 1wic s LEU 27 CO -0.23 0.38 0.21 -0.31 0.23 0.00 0.00 176.35 176.63 1wic s TYR 28 N -1.06 1.83 -1.04 0.29 2.02 -1.26 0.11 117.35 118.24 1wic s TYR 28 Ca 0.17 -2.23 -0.23 0.00 -0.37 0.00 0.00 57.07 54.41 1wic s TYR 28 Cb -0.12 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1wic s TYR 28 CO 0.06 -0.81 1.83 -0.06 -1.57 0.00 0.00 175.55 175.01 1wic s PHE 29 N 0.67 2.08 0.52 2.71 0.40 -1.26 -4.68 117.98 118.42 1wic s PHE 29 Ca 0.16 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1wic s PHE 29 Cb -0.23 -4.23 0.00 0.00 0.51 0.00 0.00 43.02 39.07 1wic s PHE 29 CO -0.04 -1.64 0.00 0.41 0.70 0.00 0.00 175.22 174.65 1wic n GLY 30 N 6.42 -4.79 3.17 4.36 0.00 -1.26 -4.78 105.19 108.30 1wic n GLY 30 Ca 0.41 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1wic n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 31 N -3.20 4.34 0.00 1.61 0.01 -1.26 -4.88 113.70 110.31 1wic s SER 31 Ca 0.00 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1wic s SER 31 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1wic s SER 31 CO 0.00 -0.15 0.00 -0.38 0.41 0.00 0.00 173.24 173.12 1wic n ILE 32 N 4.62 0.00 -3.10 1.44 5.41 -1.26 -3.80 119.36 122.67 1wic n ILE 32 Ca -0.16 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.62 1wic n ILE 32 Cb 0.46 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1wic n ILE 32 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1wic s GLU 33 N 0.00 0.54 -0.11 0.38 0.41 -1.26 -5.00 118.70 113.67 1wic s GLU 33 Ca 0.00 0.02 0.14 0.00 -0.41 0.00 0.00 54.97 54.72 1wic s GLU 33 Cb 0.00 0.12 0.26 0.00 -1.78 0.00 0.00 34.13 32.73 1wic s GLU 33 CO 0.00 -0.85 1.13 0.45 -0.49 0.00 0.00 175.26 175.50 1wic n SER 34 N 4.59 1.66 -1.68 -0.19 2.88 -1.25 -5.10 113.62 114.54 1wic n SER 34 Ca 0.08 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1wic n SER 34 Cb 0.58 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1wic n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 35 N -0.96 -4.77 3.10 0.46 0.00 -1.26 -4.86 105.19 96.89 1wic n GLY 35 Ca 0.13 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 1wic n GLY 35 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wic n GLU 36 N -0.51 -0.89 -1.07 1.61 2.13 -1.26 -4.66 120.64 115.99 1wic n GLU 36 Ca 0.00 1.16 -0.31 0.00 0.66 0.00 0.00 57.16 58.67 1wic n GLU 36 Cb 0.00 -1.78 -0.03 0.00 0.27 0.00 0.00 31.44 29.90 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wic n LYS 37 N 1.23 2.98 -4.46 5.31 5.02 -1.26 -4.71 118.16 122.26 1wic n LYS 37 Ca -0.00 -1.83 -0.32 0.00 -2.02 0.00 0.00 58.31 54.14 1wic n LYS 37 Cb 0.40 -2.61 -0.11 0.00 -0.02 0.00 0.00 35.03 32.69 1wic n LYS 37 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wic s LYS 38 N 2.56 2.50 -0.17 1.97 0.00 -1.26 -4.25 119.74 121.08 1wic s LYS 38 Ca 0.58 -0.76 -0.05 0.00 0.00 0.00 0.00 55.97 55.74 1wic s LYS 38 Cb 0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 37.83 35.49 1wic s LYS 38 CO -0.05 0.59 0.00 -0.08 0.00 0.00 0.00 175.35 175.82 1wic s THR 39 N -1.00 4.21 -0.23 3.79 -1.32 -0.09 -4.61 115.64 116.39 1wic s THR 39 Ca 0.17 -0.24 -0.04 0.00 -1.21 0.00 0.00 61.69 60.37 1wic s THR 39 Cb -0.11 -2.87 -0.01 0.00 -1.51 0.00 0.00 72.50 68.00 1wic s THR 39 CO 0.08 0.47 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.71 1wic s LEU 40 N 0.46 3.04 0.17 9.08 2.96 -1.26 0.15 118.68 133.27 1wic s LEU 40 Ca -0.01 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1wic s LEU 40 Cb -0.14 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 1wic s LEU 40 CO 0.02 -0.04 0.54 -0.63 -1.32 0.00 0.00 176.35 174.91 1wic s ILE 41 N 1.48 4.90 -0.13 6.68 1.01 0.17 -4.74 121.20 130.56 1wic s ILE 41 Ca 0.05 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.38 1wic s ILE 41 Cb -0.15 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1wic s ILE 41 CO -0.02 0.13 -0.17 -0.69 0.00 0.00 0.00 174.94 174.18 1wic s VAL 42 N -1.59 2.57 -0.35 2.92 1.01 0.01 0.76 120.40 125.74 1wic s VAL 42 Ca 0.41 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1wic s VAL 42 Cb -0.13 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.26 1wic s VAL 42 CO 0.20 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 175.16 1wic s LEU 43 N 0.58 4.46 -0.43 3.92 1.43 -0.88 -1.66 118.68 126.09 1wic s LEU 43 Ca -0.10 -1.50 -0.16 0.00 -1.03 0.00 0.00 54.13 51.34 1wic s LEU 43 Cb -0.16 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1wic s LEU 43 CO 0.03 -0.37 0.40 -0.89 0.23 0.00 0.00 176.35 175.75 1wic s THR 44 N 1.25 5.15 -0.35 5.49 2.01 -1.13 -1.51 115.64 126.55 1wic s THR 44 Ca 0.00 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1wic s THR 44 Cb -0.21 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.27 1wic s THR 44 CO -0.01 -0.44 1.30 0.21 -0.69 0.00 0.00 174.62 174.98 1wic s ASN 45 N 1.97 6.59 -0.07 3.53 2.47 -0.71 -0.51 114.94 128.22 1wic s ASN 45 Ca 0.09 1.02 -0.08 0.00 0.42 0.00 0.00 52.86 54.30 1wic s ASN 45 Cb -0.19 -2.54 -0.29 0.00 -1.45 0.00 0.00 41.25 36.78 1wic s ASN 45 CO 0.11 -1.18 0.59 -0.37 -3.72 0.00 0.00 177.10 172.53 1wic h VAL 46 N 6.11 0.85 -3.37 -5.21 -1.51 -1.79 -0.75 116.25 110.58 1wic h VAL 46 Ca -0.26 -2.49 -0.53 0.00 -1.23 0.00 0.00 66.70 62.20 1wic h VAL 46 Cb 1.09 2.68 0.22 0.00 -2.13 0.00 0.00 31.29 33.15 1wic h VAL 46 CO 1.06 0.86 -0.59 0.35 -1.23 0.00 0.00 177.57 178.01 1wic n THR 47 N -3.53 0.00 -0.88 7.19 -2.24 -1.21 -4.64 114.28 108.98 1wic n THR 47 Ca -0.26 -0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 1wic n THR 47 Cb 1.07 -0.62 0.17 0.00 -2.10 0.00 0.00 70.33 68.85 1wic n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wic n LYS 48 N -1.69 2.29 -3.72 -0.78 4.76 -1.26 -4.11 118.16 113.65 1wic n LYS 48 Ca 0.06 -2.58 -0.12 0.00 -2.87 0.00 0.00 58.31 52.80 1wic n LYS 48 Cb 0.54 -2.02 -0.10 0.00 -1.84 0.00 0.00 35.03 31.60 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1wic s ASN 49 N -0.93 -0.46 0.29 4.39 0.01 -1.26 -4.93 114.94 112.04 1wic s ASN 49 Ca 0.48 0.86 -0.25 0.00 -0.71 0.00 0.00 52.86 53.24 1wic s ASN 49 Cb 0.40 0.83 -0.16 0.00 0.41 0.00 0.00 41.25 42.73 1wic s ASN 49 CO 0.10 -0.16 0.34 -0.38 -1.51 0.00 0.00 177.10 175.48 1wic n ILE 50 N 3.26 1.41 -3.70 0.60 5.41 -1.26 -4.60 119.36 120.48 1wic n ILE 50 Ca -0.16 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.81 1wic n ILE 50 Cb 0.57 -0.01 -0.16 0.00 -0.71 0.00 0.00 39.64 39.32 1wic n ILE 50 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1wic s VAL 51 N -1.30 0.40 0.30 1.39 1.01 -1.23 0.68 120.40 121.65 1wic s VAL 51 Ca 0.62 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1wic s VAL 51 Cb -0.80 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 1wic s VAL 51 CO 0.59 -0.27 1.23 0.00 0.00 0.00 0.00 175.10 176.65 1wic s ALA 52 N 1.91 3.47 0.20 5.51 0.00 0.61 -2.62 121.76 130.83 1wic s ALA 52 Ca 0.01 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.13 1wic s ALA 52 Cb -0.17 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1wic s ALA 52 CO -0.10 -0.46 -0.08 -0.59 0.00 0.00 0.00 175.76 174.53 1wic s PHE 53 N -1.01 1.53 0.06 0.00 -0.12 0.29 0.26 117.98 118.99 1wic s PHE 53 Ca 0.48 -0.76 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 1wic s PHE 53 Cb -0.37 -0.81 -0.00 0.00 -0.63 0.00 0.00 43.02 41.21 1wic s PHE 53 CO 0.47 0.13 0.17 0.15 -0.05 0.00 0.00 175.22 176.09 1wic s LYS 54 N -3.76 0.73 -0.25 1.99 1.02 -0.15 -2.26 119.74 117.06 1wic s LYS 54 Ca 0.23 -0.81 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 1wic s LYS 54 Cb 0.03 0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.71 1wic s LYS 54 CO 0.06 -0.21 0.01 0.08 -0.92 0.00 0.00 175.35 174.36 1wic s VAL 55 N -3.17 1.17 0.00 3.17 1.01 -0.60 0.43 120.40 122.43 1wic s VAL 55 Ca -0.00 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 60.89 1wic s VAL 55 Cb 0.02 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1wic s VAL 55 CO -0.07 -0.30 -0.23 -0.60 0.00 0.00 0.00 175.10 173.90 1wic s ARG 56 N 1.53 2.06 0.23 2.72 3.00 0.31 -4.89 118.95 123.92 1wic s ARG 56 Ca 0.00 -0.96 0.01 0.00 -1.00 0.00 0.00 55.73 53.78 1wic s ARG 56 Cb -0.18 -2.09 -0.05 0.00 0.00 0.00 0.00 34.95 32.63 1wic s ARG 56 CO -0.11 0.55 0.08 -0.08 0.00 0.00 0.00 175.30 175.75 1wic s THR 57 N -0.73 0.49 -2.00 4.11 -1.32 -1.26 0.21 115.64 115.13 1wic s THR 57 Ca 0.11 -1.99 0.22 0.00 -1.21 0.00 0.00 61.69 58.82 1wic s THR 57 Cb -0.10 -2.52 0.63 0.00 -1.51 0.00 0.00 72.50 69.00 1wic s THR 57 CO 0.01 -0.09 1.80 0.35 -2.21 0.00 0.00 174.62 174.48 1wic n THR 58 N -0.39 0.00 -2.91 5.08 -2.24 -0.91 -4.01 114.28 108.90 1wic n THR 58 Ca -0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1wic n THR 58 Cb 0.66 -0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1wic n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wic n ALA 59 N -0.87 -0.44 1.21 6.98 0.00 -1.26 -4.96 120.51 121.17 1wic n ALA 59 Ca 0.17 -1.78 0.11 0.00 0.00 0.00 0.00 53.44 51.93 1wic n ALA 59 Cb 0.08 -1.24 0.62 0.00 0.00 0.00 0.00 19.45 18.90 1wic n ALA 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wic n PRO 60 N 2.27 0.46 -0.83 0.00 -0.04 -1.26 -2.50 135.00 133.10 1wic n PRO 60 Ca 0.17 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1wic n PRO 60 Cb 0.57 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 1wic n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wic n GLU 61 N -1.20 2.45 0.00 0.54 0.28 -1.26 -4.50 120.64 116.96 1wic n GLU 61 Ca 0.13 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.06 1wic n GLU 61 Cb 0.15 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 31.07 1wic n GLU 61 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wic n LYS 62 N -0.84 0.00 -3.91 3.44 5.02 -1.04 -5.00 118.16 115.83 1wic n LYS 62 Ca 0.36 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.30 1wic n LYS 62 Cb 1.17 -0.19 -0.08 0.00 -0.02 0.00 0.00 35.03 35.91 1wic n LYS 62 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1wic s TYR 63 N -1.69 3.42 -0.56 2.13 2.02 -1.11 -0.52 117.35 121.04 1wic s TYR 63 Ca 0.00 0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.84 1wic s TYR 63 Cb 0.00 -2.03 0.08 0.00 -0.40 0.00 0.00 41.96 39.61 1wic s TYR 63 CO 0.00 0.44 0.68 0.50 -1.57 0.00 0.00 175.55 175.60 1wic s ARG 64 N -0.25 3.09 -0.27 -0.62 3.52 0.61 -4.77 118.95 120.26 1wic s ARG 64 Ca 0.10 -1.09 -0.09 0.00 -0.13 0.00 0.00 55.73 54.53 1wic s ARG 64 Cb -0.12 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.06 1wic s ARG 64 CO 0.01 -1.41 0.11 0.14 -0.81 0.00 0.00 175.30 173.34 1wic s VAL 65 N 2.74 4.61 -0.20 7.11 -7.23 -1.26 -1.45 120.40 124.73 1wic s VAL 65 Ca 0.14 -0.13 -0.10 0.00 -1.81 0.00 0.00 61.98 60.07 1wic s VAL 65 Cb -0.21 -3.20 0.07 0.00 0.56 0.00 0.00 36.38 33.59 1wic s VAL 65 CO 0.09 0.27 0.47 -0.75 -0.31 0.00 0.00 175.10 174.87 1wic s LYS 66 N 1.65 0.45 0.54 4.82 2.36 -0.52 -3.49 119.74 125.55 1wic s LYS 66 Ca 0.06 0.91 -0.18 0.00 -2.55 0.00 0.00 55.97 54.22 1wic s LYS 66 Cb -0.16 0.06 -0.06 0.00 -1.05 0.00 0.00 37.83 36.63 1wic s LYS 66 CO 0.06 -0.17 1.04 -1.25 1.55 0.00 0.00 175.35 176.59 1wic s PRO 67 N 1.61 3.57 -0.00 4.03 0.04 -1.25 -0.86 135.00 142.13 1wic s PRO 67 Ca -0.09 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.29 1wic s PRO 67 Cb -0.08 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1wic s PRO 67 CO -0.14 -0.61 0.28 -1.13 0.04 0.00 0.00 177.00 175.44 1wic n SER 68 N -1.54 1.53 -3.34 6.66 3.41 -1.23 -4.73 113.62 114.38 1wic n SER 68 Ca 0.09 -0.40 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 1wic n SER 68 Cb 0.53 1.16 -0.08 0.00 -0.26 0.00 0.00 64.21 65.56 1wic n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wic s ASN 69 N -2.27 1.36 0.00 4.04 2.20 -1.26 -1.55 114.94 117.46 1wic s ASN 69 Ca 0.00 -1.99 0.00 0.00 -0.94 0.00 0.00 52.86 49.93 1wic s ASN 69 Cb 0.06 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.60 1wic s ASN 69 CO 0.34 -0.24 0.00 -1.20 -2.94 0.00 0.00 177.10 173.06 1wic n SER 70 N 3.84 0.00 -4.04 3.54 7.64 -0.96 -4.56 113.62 119.08 1wic n SER 70 Ca 0.15 -0.49 -0.13 0.00 1.01 0.00 0.00 58.87 59.41 1wic n SER 70 Cb 0.45 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wic s SER 71 N 0.41 0.42 -0.12 6.43 0.15 -1.26 0.11 113.70 119.83 1wic s SER 71 Ca 0.00 -1.45 -0.02 0.00 0.70 0.00 0.00 55.95 55.18 1wic s SER 71 Cb 0.00 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1wic s SER 71 CO 0.00 -0.89 0.01 0.00 1.20 0.00 0.00 173.24 173.56 1wic n ASP 73 N 5.10 -3.04 -4.73 0.00 9.92 -1.26 -3.48 116.55 119.06 1wic n ASP 73 Ca -0.08 0.18 -0.41 0.00 -0.53 0.00 0.00 54.79 53.95 1wic n ASP 73 Cb 0.49 -1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 39.92 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wic s PRO 74 N -3.14 4.52 0.00 -0.24 0.04 -1.26 -2.70 135.00 132.22 1wic s PRO 74 Ca 0.52 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1wic s PRO 74 Cb -0.16 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1wic s PRO 74 CO 0.70 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 178.09 1wic n GLY 75 N 2.50 0.56 3.33 0.56 0.00 -0.29 -4.99 105.19 106.86 1wic n GLY 75 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1wic n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wic n ALA 76 N 0.99 0.44 -3.27 4.61 0.00 -1.10 -4.97 120.51 117.21 1wic n ALA 76 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 53.44 51.25 1wic n ALA 76 Cb 0.00 1.10 -0.12 0.00 0.00 0.00 0.00 19.45 20.42 1wic n ALA 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wic s SER 77 N -3.59 -0.23 0.36 0.00 1.04 -1.26 -1.74 113.70 108.28 1wic s SER 77 Ca 0.04 0.46 0.07 0.00 0.48 0.00 0.00 55.95 57.00 1wic s SER 77 Cb -0.00 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1wic s SER 77 CO 0.02 -0.10 0.35 -0.51 0.98 0.00 0.00 173.24 173.98 1wic s ILE 78 N 0.42 3.39 -0.20 -1.02 2.07 -0.57 -4.91 121.20 120.39 1wic s ILE 78 Ca -0.03 -1.29 0.01 0.00 -1.41 0.00 0.00 60.65 57.93 1wic s ILE 78 Cb -0.04 -3.16 0.03 0.00 0.13 0.00 0.00 42.46 39.42 1wic s ILE 78 CO -0.02 -0.13 -0.16 1.51 -1.91 0.00 0.00 174.94 174.23 1wic s ASP 79 N -4.07 3.38 -0.58 4.50 1.47 -1.26 -2.07 116.67 118.04 1wic s ASP 79 Ca 0.44 -0.82 -0.07 0.00 1.18 0.00 0.00 52.55 53.28 1wic s ASP 79 Cb -0.06 -1.42 0.15 0.00 -0.34 0.00 0.00 42.92 41.25 1wic s ASP 79 CO 0.28 -0.07 0.43 -0.63 0.68 0.00 0.00 175.17 175.87 1wic s ILE 80 N 1.29 4.19 0.41 2.11 -1.09 0.23 -3.93 121.20 124.41 1wic s ILE 80 Ca 0.01 -2.32 -0.25 0.00 -2.23 0.00 0.00 60.65 55.86 1wic s ILE 80 Cb -0.15 -3.72 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 1wic s ILE 80 CO -0.10 -0.85 1.14 -0.63 -1.23 0.00 0.00 174.94 173.27 1wic s ILE 81 N 0.66 3.29 -0.31 2.92 1.09 -0.04 0.42 121.20 129.24 1wic s ILE 81 Ca 0.12 1.04 -0.03 0.00 -1.10 0.00 0.00 60.65 60.68 1wic s ILE 81 Cb -0.21 -3.57 0.11 0.00 -1.06 0.00 0.00 42.46 37.73 1wic s ILE 81 CO -0.03 0.06 0.15 -0.69 -0.10 0.00 0.00 174.94 174.33 1wic s VAL 82 N -1.49 0.03 -0.06 2.92 1.01 0.39 -1.44 120.40 121.76 1wic s VAL 82 Ca 0.58 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1wic s VAL 82 Cb -0.28 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1wic s VAL 82 CO 0.35 -0.80 -0.22 -0.94 0.00 0.00 0.00 175.10 173.49 1wic s SER 83 N 1.79 3.33 0.99 3.32 1.04 -0.53 -0.91 113.70 122.74 1wic s SER 83 Ca 0.12 -0.43 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 1wic s SER 83 Cb -0.18 -0.81 0.19 0.00 0.10 0.00 0.00 66.02 65.32 1wic s SER 83 CO -0.26 0.27 1.18 -2.16 0.98 0.00 0.00 173.24 173.25 1wic s PRO 84 N -0.31 0.45 0.26 4.02 0.04 -1.26 0.22 135.00 138.43 1wic s PRO 84 Ca 0.01 0.03 -0.02 0.00 0.04 0.00 0.00 61.00 61.06 1wic s PRO 84 Cb -0.13 -1.78 0.34 0.00 0.04 0.00 0.00 34.50 32.97 1wic s PRO 84 CO 0.02 -2.61 1.78 0.45 0.04 0.00 0.00 177.00 176.68 1wic h HIS 85 N -1.79 0.87 0.00 0.56 3.86 -1.18 -3.44 115.15 114.03 1wic h HIS 85 Ca -0.48 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 1wic h HIS 85 Cb 1.30 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1wic h HIS 85 CO -0.66 0.77 0.00 0.41 0.86 0.00 0.00 177.93 179.31 1wic n GLY 86 N -0.72 2.17 0.14 2.45 0.00 -1.26 -4.93 105.19 103.04 1wic n GLY 86 Ca 0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 1wic n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wic n GLY 87 N 0.00 -2.67 1.80 -0.02 0.00 -1.26 -4.47 105.19 98.56 1wic n GLY 87 Ca 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 46.02 46.64 1wic n GLY 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wic n LEU 88 N -3.73 0.00 -4.26 0.99 -0.00 -1.26 -5.05 117.00 103.69 1wic n LEU 88 Ca 0.01 -0.33 -0.14 0.00 -0.00 0.00 0.00 56.01 55.55 1wic n LEU 88 Cb 0.09 -0.48 -0.10 0.00 -0.00 0.00 0.00 43.42 42.92 1wic n LEU 88 CO -0.05 -2.04 -0.27 0.28 -0.00 0.00 0.00 177.39 175.30 1wic s THR 89 N -1.48 0.43 -0.14 1.47 -1.32 -1.26 -4.97 115.64 108.38 1wic s THR 89 Ca 0.25 -1.99 -0.18 0.00 -1.21 0.00 0.00 61.69 58.57 1wic s THR 89 Cb -0.04 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1wic s THR 89 CO 0.21 -0.14 0.46 -0.69 -2.21 0.00 0.00 174.62 172.25 1wic s VAL 90 N -3.84 5.19 0.32 5.08 1.01 -1.26 -5.06 120.40 121.84 1wic s VAL 90 Ca 0.34 0.90 0.03 0.00 0.00 0.00 0.00 61.98 63.25 1wic s VAL 90 Cb 0.07 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1wic s VAL 90 CO 0.10 0.31 0.15 -0.55 0.00 0.00 0.00 175.10 175.11 1wic s SER 91 N 0.69 1.81 -0.38 3.32 0.15 -1.26 -4.92 113.70 113.12 1wic s SER 91 Ca 0.24 -1.56 -0.00 0.00 0.70 0.00 0.00 55.95 55.33 1wic s SER 91 Cb -0.15 0.37 0.32 0.00 -1.71 0.00 0.00 66.02 64.85 1wic s SER 91 CO 0.09 -0.87 1.90 0.00 1.20 0.00 0.00 173.24 175.57 1wic n ALA 92 N -0.64 5.19 -0.04 5.45 0.00 -1.26 -3.84 120.51 125.37 1wic n ALA 92 Ca -0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 53.44 51.31 1wic n ALA 92 Cb 0.65 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1wic n ALA 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wic n GLN 93 N -0.15 2.31 -3.13 0.00 1.13 -1.26 -5.01 117.38 111.27 1wic n GLN 93 Ca 0.39 0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 55.13 1wic n GLN 93 Cb 0.77 -1.20 -0.06 0.00 0.11 0.00 0.00 30.24 29.86 1wic n GLN 93 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1wic s ASP 94 N -4.13 6.77 0.01 1.08 -4.77 -1.25 -5.06 116.67 109.32 1wic s ASP 94 Ca -0.05 1.29 0.03 0.00 -3.30 0.00 0.00 52.55 50.51 1wic s ASP 94 Cb 0.03 -2.37 -0.01 0.00 -1.09 0.00 0.00 42.92 39.47 1wic s ASP 94 CO 0.31 -0.21 -0.08 -0.60 0.70 0.00 0.00 175.17 175.28 1wic s ARG 95 N -2.99 0.62 0.16 2.11 6.06 -1.26 -4.67 118.95 118.98 1wic s ARG 95 Ca 0.54 -0.47 0.06 0.00 -2.50 0.00 0.00 55.73 53.36 1wic s ARG 95 Cb -0.10 -0.55 -0.04 0.00 0.06 0.00 0.00 34.95 34.32 1wic s ARG 95 CO 0.17 0.14 0.07 -0.06 -2.50 0.00 0.00 175.30 173.13 1wic s PHE 96 N -0.59 3.03 -0.03 5.12 0.08 -0.17 -2.14 117.98 123.27 1wic s PHE 96 Ca -0.01 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 1wic s PHE 96 Cb -0.05 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.95 1wic s PHE 96 CO 0.00 0.52 0.04 -1.17 -0.10 0.00 0.00 175.22 174.51 1wic s LEU 97 N -2.94 0.72 -0.17 -0.37 1.98 0.56 -0.08 118.68 118.39 1wic s LEU 97 Ca 0.29 0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.58 1wic s LEU 97 Cb -0.10 -0.12 0.00 0.00 0.66 0.00 0.00 46.19 46.63 1wic s LEU 97 CO 0.21 -0.17 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.71 1wic s ILE 98 N 1.50 2.49 0.13 6.68 1.01 0.25 0.11 121.20 133.38 1wic s ILE 98 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1wic s ILE 98 Cb -0.13 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1wic s ILE 98 CO -0.03 0.52 0.19 -0.04 0.00 0.00 0.00 174.94 175.58 1wic s MET 99 N 1.01 3.17 -0.25 2.79 -1.94 0.17 -0.85 119.30 123.40 1wic s MET 99 Ca -0.02 -0.69 -0.07 0.00 -1.71 0.00 0.00 55.69 53.20 1wic s MET 99 Cb -0.15 -2.82 0.12 0.00 2.01 0.00 0.00 34.83 33.98 1wic s MET 99 CO -0.04 0.52 0.51 0.00 -0.01 0.00 0.00 175.02 176.01 1wic s ALA 100 N -1.67 -1.56 -0.03 3.03 0.00 -0.01 -0.98 121.76 120.54 1wic s ALA 100 Ca 0.33 1.80 0.03 0.00 0.00 0.00 0.00 51.96 54.12 1wic s ALA 100 Cb -0.11 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1wic s ALA 100 CO 0.26 -0.90 -0.13 0.00 0.00 0.00 0.00 175.76 174.99 1wic s ALA 101 N 2.73 1.19 -0.11 0.00 0.00 0.14 0.20 121.76 125.91 1wic s ALA 101 Ca -0.01 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1wic s ALA 101 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1wic s ALA 101 CO -0.16 0.21 1.50 -2.00 0.00 0.00 0.00 175.76 175.31 1wic s GLU 102 N 0.08 4.18 0.70 0.00 2.12 -1.26 -0.28 118.70 124.24 1wic s GLU 102 Ca -0.03 1.95 -0.06 0.00 0.36 0.00 0.00 54.97 57.20 1wic s GLU 102 Cb -0.10 -3.90 0.07 0.00 0.26 0.00 0.00 34.13 30.46 1wic s GLU 102 CO 0.01 -0.82 1.00 -1.64 -0.54 0.00 0.00 175.26 173.27 1wic s MET 103 N 3.86 2.11 0.00 4.30 -1.94 0.21 -4.90 119.30 122.95 1wic s MET 103 Ca 0.66 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1wic s MET 103 Cb -0.28 -2.21 0.00 0.00 2.01 0.00 0.00 34.83 34.35 1wic s MET 103 CO 0.24 -1.25 0.00 0.39 -0.01 0.00 0.00 175.02 174.38 1wic n GLU 104 N -2.89 3.62 0.00 2.03 1.02 -1.26 -4.51 120.64 118.66 1wic n GLU 104 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1wic n GLU 104 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1wic n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wic n GLN 105 N 0.00 -0.70 -1.56 3.49 10.64 -1.26 -4.43 117.38 123.56 1wic n GLN 105 Ca 0.00 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.68 1wic n GLN 105 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1wic n GLN 105 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1wic n SER 106 N -1.85 2.72 -4.02 2.61 7.64 -1.26 -4.85 113.62 114.62 1wic n SER 106 Ca 0.00 0.58 -0.17 0.00 1.01 0.00 0.00 58.87 60.29 1wic n SER 106 Cb 0.00 -1.34 -0.14 0.00 -1.01 0.00 0.00 64.21 61.73 1wic n SER 106 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wic s SER 107 N 6.31 0.92 1.00 6.43 0.01 -1.26 -5.15 113.70 121.96 1wic s SER 107 Ca 1.03 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 58.02 1wic s SER 107 Cb -0.74 -0.07 0.06 0.00 0.21 0.00 0.00 66.02 65.48 1wic s SER 107 CO 0.49 0.03 0.13 0.61 0.41 0.00 0.00 173.24 174.91 1wic n GLY 108 N 2.56 -3.48 1.78 3.44 0.00 -1.26 -5.00 105.19 103.23 1wic n GLY 108 Ca -0.15 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1wic n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wic n THR 109 N -3.37 0.25 -0.90 2.61 -2.24 -1.26 -4.83 114.28 104.54 1wic n THR 109 Ca 0.02 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1wic n THR 109 Cb 0.09 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1wic n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wic n GLY 110 N -0.14 -1.37 0.25 3.38 0.00 -1.26 -4.51 105.19 101.54 1wic n GLY 110 Ca -0.06 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.47 1wic n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic h PRO 111 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.13 132.00 128.61 1wic h PRO 111 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wic h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wic h PRO 111 CO 0.00 0.01 -0.31 0.00 -0.23 0.00 0.00 178.00 177.47 1wic n ALA 112 N -2.10 0.27 -0.22 -0.56 0.00 -1.26 -3.21 120.51 113.43 1wic n ALA 112 Ca 0.02 -0.33 0.16 0.00 0.00 0.00 0.00 53.44 53.29 1wic n ALA 112 Cb 0.42 0.01 0.30 0.00 0.00 0.00 0.00 19.45 20.17 1wic n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 113 N -3.41 -0.05 0.00 0.00 -0.58 -1.26 0.10 120.64 115.45 1wic n GLU 113 Ca -0.04 0.94 -0.00 0.00 -0.42 0.00 0.00 57.16 57.63 1wic n GLU 113 Cb 0.16 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.44 1wic n GLU 113 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wic h LEU 114 N 0.00 -0.01 -0.91 -4.62 -0.00 -1.73 -1.00 115.31 107.04 1wic h LEU 114 Ca 0.48 0.00 0.34 0.00 -0.00 0.00 0.00 57.88 58.70 1wic h LEU 114 Cb 1.17 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.72 1wic h LEU 114 CO -0.56 -0.00 0.55 -0.24 -0.00 0.00 0.00 178.44 178.19 1wic n SER 115 N -2.04 0.20 0.14 -0.43 2.88 0.64 0.16 113.62 115.17 1wic n SER 115 Ca -0.00 1.11 -0.11 0.00 -1.33 0.00 0.00 58.87 58.55 1wic n SER 115 Cb 0.00 -0.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.86 1wic n SER 115 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1wic h GLN 116 N 0.00 -0.41 -0.13 -1.46 1.08 -0.34 -1.82 115.11 112.02 1wic h GLN 116 Ca 0.64 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.91 1wic h GLN 116 Cb 1.93 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.44 1wic h GLN 116 CO -0.44 -0.11 0.14 0.35 -0.95 0.00 0.00 178.83 177.82 1wic h PHE 117 N -0.98 0.00 0.00 2.96 3.57 0.29 0.88 116.94 123.66 1wic h PHE 117 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1wic h PHE 117 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1wic h PHE 117 CO 0.04 0.00 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.48 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.53 0.37 115.95 121.32 1wic h TRP 118 Ca 0.06 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 1wic h TRP 118 Cb 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1wic h TRP 118 CO 0.00 0.00 -0.94 -0.22 -3.56 0.00 0.00 178.44 173.72 1wic h LYS 119 N 0.00 0.00 0.00 0.49 3.11 0.16 -3.38 116.57 116.95 1wic h LYS 119 Ca 0.00 0.00 -0.45 0.00 -2.81 0.00 0.00 60.65 57.39 1wic h LYS 119 Cb 0.80 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.96 1wic h LYS 119 CO 0.00 0.04 -2.53 0.39 -2.81 0.00 0.00 179.45 174.54 1wic n GLU 120 N -2.75 0.61 -2.17 1.90 1.02 -0.36 -4.92 120.64 113.96 1wic n GLU 120 Ca -0.01 0.23 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 1wic n GLU 120 Cb 0.58 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wic s VAL 121 N -2.51 3.58 1.06 2.62 0.11 0.13 -5.00 120.40 120.39 1wic s VAL 121 Ca -0.38 0.99 -0.17 0.00 -2.93 0.00 0.00 61.98 59.49 1wic s VAL 121 Cb 0.13 -3.63 0.23 0.00 -1.53 0.00 0.00 36.38 31.58 1wic s VAL 121 CO 0.52 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 171.34 1wic s PRO 122 N 2.38 -0.13 0.00 1.54 0.04 -1.26 -4.72 135.00 132.84 1wic s PRO 122 Ca 0.65 -0.19 0.28 0.00 0.04 0.00 0.00 61.00 61.79 1wic s PRO 122 Cb -0.33 -1.74 1.16 0.00 0.04 0.00 0.00 34.50 33.63 1wic s PRO 122 CO 0.28 -2.96 1.80 2.89 0.04 0.00 0.00 177.00 179.04 1wic n ARG 123 N -4.20 1.57 0.00 4.56 -4.01 -1.26 -2.92 116.66 110.39 1wic n ARG 123 Ca 0.13 -0.83 0.09 0.00 -1.04 0.00 0.00 57.85 56.21 1wic n ARG 123 Cb 0.59 -1.48 -0.01 0.00 -3.04 0.00 0.00 32.46 28.53 1wic n ARG 123 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1wic n ASN 124 N 0.01 1.70 -0.06 2.89 6.94 -1.26 -4.30 115.26 121.18 1wic n ASN 124 Ca 0.20 -1.35 -0.06 0.00 -0.02 0.00 0.00 54.58 53.35 1wic n ASN 124 Cb 0.32 0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 38.16 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1wic n LYS 125 N -0.21 1.87 -3.29 -3.83 4.76 -1.20 -4.97 118.16 111.28 1wic n LYS 125 Ca 0.07 -0.01 -0.36 0.00 -2.87 0.00 0.00 58.31 55.14 1wic n LYS 125 Cb 0.38 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 1wic n LYS 125 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wic s VAL 126 N -2.33 4.78 0.13 -0.18 0.11 -1.15 -4.62 120.40 117.15 1wic s VAL 126 Ca -0.06 0.97 -0.24 0.00 -2.93 0.00 0.00 61.98 59.72 1wic s VAL 126 Cb 0.04 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 31.04 1wic s VAL 126 CO 0.52 0.27 0.72 -0.32 -3.33 0.00 0.00 175.10 172.96 1wic s MET 127 N -1.87 4.46 -0.14 1.54 1.75 0.53 -4.84 119.30 120.73 1wic s MET 127 Ca 0.38 1.03 0.02 0.00 -1.25 0.00 0.00 55.69 55.87 1wic s MET 127 Cb -0.16 -3.26 0.00 0.00 2.84 0.00 0.00 34.83 34.25 1wic s MET 127 CO 0.19 0.58 -0.19 -1.21 -0.65 0.00 0.00 175.02 173.74 1wic s GLU 128 N -1.07 3.13 -0.09 4.11 2.02 -1.26 -0.83 118.70 124.71 1wic s GLU 128 Ca 0.34 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1wic s GLU 128 Cb -0.22 -2.51 0.03 0.00 0.10 0.00 0.00 34.13 31.54 1wic s GLU 128 CO 0.24 0.05 0.01 -1.58 0.02 0.00 0.00 175.26 173.99 1wic s HIS 129 N 0.70 0.74 -0.11 1.61 2.46 -0.03 -4.98 115.29 115.69 1wic s HIS 129 Ca -0.08 -0.29 -0.16 0.00 0.47 0.00 0.00 55.06 55.00 1wic s HIS 129 Cb -0.16 -0.85 -0.05 0.00 -0.13 0.00 0.00 32.58 31.40 1wic s HIS 129 CO 0.01 -0.38 0.40 1.03 -2.47 0.00 0.00 174.74 173.34 1wic s ARG 130 N 1.95 4.23 -0.01 2.88 0.52 -1.26 0.87 118.95 128.13 1wic s ARG 130 Ca 0.04 0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 1wic s ARG 130 Cb -0.13 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 1wic s ARG 130 CO -0.06 0.28 -0.02 -0.51 0.02 0.00 0.00 175.30 175.01 1wic s LEU 131 N 0.26 3.40 0.08 2.53 1.43 0.89 -4.80 118.68 122.47 1wic s LEU 131 Ca 0.22 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1wic s LEU 131 Cb -0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1wic s LEU 131 CO 0.09 0.29 -0.21 0.00 0.23 0.00 0.00 176.35 176.75 1wic s ARG 132 N -1.44 1.23 0.14 1.70 1.70 -1.26 -1.00 118.95 120.01 1wic s ARG 132 Ca 0.18 -1.10 -0.12 0.00 -0.47 0.00 0.00 55.73 54.22 1wic s ARG 132 Cb -0.11 -1.46 -0.07 0.00 -0.57 0.00 0.00 34.95 32.75 1wic s ARG 132 CO 0.08 0.35 0.49 0.00 -1.08 0.00 0.00 175.30 175.15 1wic n HIS 134 N 0.63 3.06 -1.60 0.00 -0.00 0.31 -4.75 115.22 112.87 1wic n HIS 134 Ca -0.05 -3.29 -0.42 0.00 0.46 0.00 0.00 57.72 54.42 1wic n HIS 134 Cb 0.52 -0.90 0.01 0.00 -0.12 0.00 0.00 29.99 29.50 1wic n HIS 134 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1wic n THR 135 N 0.68 2.39 -2.47 3.57 -2.24 -1.26 -4.89 114.28 110.05 1wic n THR 135 Ca 0.32 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1wic n THR 135 Cb 0.35 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.43 1wic n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wic s VAL 136 N -1.28 3.61 0.40 2.28 0.11 -1.26 -5.04 120.40 119.22 1wic s VAL 136 Ca 0.63 1.50 0.08 0.00 -2.93 0.00 0.00 61.98 61.25 1wic s VAL 136 Cb -0.57 -3.95 -0.00 0.00 -1.53 0.00 0.00 36.38 30.33 1wic s VAL 136 CO 0.57 0.31 0.51 -1.61 -3.33 0.00 0.00 175.10 171.54 1wic s GLU 137 N -0.91 2.84 0.00 1.54 8.01 -1.26 -4.57 118.70 124.35 1wic s GLU 137 Ca 0.47 -1.24 0.00 0.00 0.01 0.00 0.00 54.97 54.22 1wic s GLU 137 Cb -0.31 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 26.80 1wic s GLU 137 CO 0.38 -0.17 0.00 0.45 0.01 0.00 0.00 175.26 175.93 1wic n SER 138 N -1.74 0.00 -0.84 -0.19 2.88 -1.26 -4.92 113.62 107.55 1wic n SER 138 Ca 0.05 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1wic n SER 138 Cb 0.59 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1wic n SER 138 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wic n SER 139 N 3.19 -4.98 -4.34 -3.46 3.41 -1.26 -4.51 113.62 101.66 1wic n SER 139 Ca 0.00 0.43 -0.41 0.00 -0.26 0.00 0.00 58.87 58.64 1wic n SER 139 Cb 0.00 -1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 62.57 1wic n SER 139 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wic s LYS 140 N -0.73 2.76 0.91 4.33 -2.85 -1.26 -5.08 119.74 117.82 1wic s LYS 140 Ca 0.00 -1.23 -0.15 0.00 -1.00 0.00 0.00 55.97 53.58 1wic s LYS 140 Cb 0.00 -3.79 0.22 0.00 -2.06 0.00 0.00 37.83 32.20 1wic s LYS 140 CO 0.00 -0.82 1.01 -0.35 0.10 0.00 0.00 175.35 175.29 1wic n PRO 141 N 4.99 -1.91 -3.63 1.78 -0.04 -1.26 -5.10 135.00 129.83 1wic n PRO 141 Ca -0.11 -1.58 -0.08 0.00 -0.04 0.00 0.00 63.50 61.68 1wic n PRO 141 Cb 0.45 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1wic n PRO 141 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wic s ASN 142 N -4.51 -0.38 0.40 3.54 0.01 -1.26 -5.08 114.94 107.66 1wic s ASN 142 Ca 0.61 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 53.43 1wic s ASN 142 Cb -0.04 0.66 0.00 0.00 0.41 0.00 0.00 41.25 42.28 1wic s ASN 142 CO 0.44 -0.16 0.00 -0.24 -1.51 0.00 0.00 177.10 175.63 1wic n SER 143 N 1.84 -2.41 -2.68 -1.22 2.88 -1.26 -5.12 113.62 105.64 1wic n SER 143 Ca -0.12 0.73 -0.01 0.00 -1.33 0.00 0.00 58.87 58.15 1wic n SER 143 Cb 0.56 2.34 -0.01 0.00 -0.75 0.00 0.00 64.21 66.36 1wic n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wic n LEU 144 N -3.48 -7.72 -3.64 2.46 0.00 -1.26 -5.07 117.00 98.29 1wic n LEU 144 Ca 0.00 1.55 -0.04 0.00 0.00 0.00 0.00 56.01 57.52 1wic n LEU 144 Cb 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 43.42 40.04 1wic n LEU 144 CO 0.00 -3.31 1.10 -0.04 0.00 0.00 0.00 177.39 175.14 1wic s MET 145 N -1.49 0.13 -0.01 1.96 -1.94 -1.26 -5.17 119.30 111.52 1wic s MET 145 Ca -0.04 0.10 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 1wic s MET 145 Cb 0.00 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.89 1wic s MET 145 CO 0.78 -0.02 -0.12 -0.51 -0.01 0.00 0.00 175.02 175.13 1wic s LEU 146 N -0.30 2.01 -0.30 -0.03 1.02 -1.26 -5.11 118.68 114.72 1wic s LEU 146 Ca 0.07 -0.23 -0.00 0.00 0.02 0.00 0.00 54.13 53.99 1wic s LEU 146 Cb -0.04 -0.64 0.19 0.00 0.02 0.00 0.00 46.19 45.72 1wic s LEU 146 CO -0.12 0.15 0.69 -0.94 0.02 0.00 0.00 176.35 176.15 1wic s SER 147 N -0.26 -1.29 0.38 2.29 1.04 -1.26 -5.15 113.70 109.45 1wic s SER 147 Ca 0.04 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1wic s SER 147 Cb -0.05 1.93 0.00 0.00 0.10 0.00 0.00 66.02 68.00 1wic s SER 147 CO -0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1wic n GLY 148 N 5.39 -1.48 0.18 7.32 0.00 -1.26 -4.39 105.19 110.96 1wic n GLY 148 Ca 0.02 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1wic n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic h PRO 149 N 0.00 0.63 -4.74 1.61 0.13 -2.06 -3.49 132.00 124.08 1wic h PRO 149 Ca 0.02 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1wic h PRO 149 Cb 0.96 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1wic h PRO 149 CO 0.01 1.22 -0.69 0.45 -0.23 0.00 0.00 178.00 178.76 1wic n SER 150 N -4.02 -6.83 -4.32 1.44 2.88 -1.26 -4.94 113.62 96.57 1wic n SER 150 Ca -0.10 0.96 -0.47 0.00 -1.33 0.00 0.00 58.87 57.94 1wic n SER 150 Cb 0.76 -4.50 -0.02 0.00 -0.75 0.00 0.00 64.21 59.69 1wic n SER 150 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wic s SER 151 N -1.58 6.70 0.00 -3.46 0.15 -1.26 -5.22 113.70 109.03 1wic s SER 151 Ca 0.06 -2.71 0.00 0.00 0.70 0.00 0.00 55.95 54.00 1wic s SER 151 Cb -0.02 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1wic s SER 151 CO 0.63 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 175.12