#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 -0.40 0.00 1.61 0.15 -1.26 -5.18 113.70 108.62 1wic s SER 2 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1wic s SER 2 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wic s SER 2 CO 0.00 -0.94 0.00 -1.20 1.20 0.00 0.00 173.24 172.30 1wic n SER 3 N -0.32 0.00 -3.16 5.45 7.64 -1.26 -5.15 113.62 116.83 1wic n SER 3 Ca -0.16 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.75 1wic n SER 3 Cb 0.64 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.83 1wic n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wic s GLY 4 N 0.00 -1.07 0.09 0.23 0.00 -1.26 -5.16 107.32 100.16 1wic s GLY 4 Ca 0.00 1.46 -0.25 0.00 0.00 0.00 0.00 44.72 45.92 1wic s GLY 4 CO 0.00 3.46 0.68 -0.56 0.00 0.00 0.00 173.10 176.68 1wic s SER 5 N 2.83 -0.53 -0.29 1.64 0.01 -1.26 -5.17 113.70 110.92 1wic s SER 5 Ca 0.16 0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.29 1wic s SER 5 Cb -0.13 0.54 0.15 0.00 0.21 0.00 0.00 66.02 66.79 1wic s SER 5 CO -0.23 -0.84 1.13 -0.55 0.41 0.00 0.00 173.24 173.16 1wic s SER 6 N -2.47 -0.35 0.00 2.44 0.15 -1.26 -5.17 113.70 107.04 1wic s SER 6 Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1wic s SER 6 Cb -0.01 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1wic s SER 6 CO -0.09 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wic n GLY 7 N 2.45 1.32 3.61 9.45 0.00 -1.26 -5.18 105.19 115.58 1wic n GLY 7 Ca -0.14 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1wic n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wic s LYS 8 N -0.85 1.96 0.17 1.61 2.20 -1.26 -5.15 119.74 118.42 1wic s LYS 8 Ca 0.00 -2.00 0.02 0.00 -0.36 0.00 0.00 55.97 53.63 1wic s LYS 8 Cb 0.00 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.56 1wic s LYS 8 CO 0.00 0.01 0.31 -1.59 -0.36 0.00 0.00 175.35 173.72 1wic s LYS 9 N -3.71 3.45 0.67 4.03 0.00 -1.26 -5.10 119.74 117.83 1wic s LYS 9 Ca 0.35 -0.58 -0.12 0.00 0.00 0.00 0.00 55.97 55.62 1wic s LYS 9 Cb 0.06 -2.94 -0.00 0.00 0.00 0.00 0.00 37.83 34.95 1wic s LYS 9 CO 0.18 0.49 1.06 -1.25 0.00 0.00 0.00 175.35 175.83 1wic s PRO 10 N -3.33 3.06 0.23 1.78 0.04 -1.26 -5.07 135.00 130.45 1wic s PRO 10 Ca 0.35 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1wic s PRO 10 Cb -0.11 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1wic s PRO 10 CO 0.29 -1.00 0.66 -0.51 0.04 0.00 0.00 177.00 176.47 1wic s LEU 11 N -5.28 -0.32 0.10 -3.56 1.43 -1.26 -5.17 118.68 104.61 1wic s LEU 11 Ca 0.59 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1wic s LEU 11 Cb -0.14 2.62 -0.04 0.00 0.03 0.00 0.00 46.19 48.66 1wic s LEU 11 CO 0.51 -1.20 -0.23 -0.44 0.23 0.00 0.00 176.35 175.22 1wic s SER 12 N -2.86 3.52 0.01 2.29 0.01 -1.26 -5.09 113.70 110.32 1wic s SER 12 Ca 0.08 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.75 1wic s SER 12 Cb -0.04 -0.38 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 1wic s SER 12 CO -0.00 0.20 -0.10 0.68 0.41 0.00 0.00 173.24 174.43 1wic s VAL 13 N -1.02 0.79 -0.76 3.43 -7.23 -1.26 -1.26 120.40 113.08 1wic s VAL 13 Ca 0.15 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 1wic s VAL 13 Cb -0.10 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 1wic s VAL 13 CO 0.06 0.06 1.71 0.12 -0.31 0.00 0.00 175.10 176.74 1wic s PHE 14 N -0.56 1.94 -0.53 2.82 5.36 0.82 -4.77 117.98 123.06 1wic s PHE 14 Ca 0.01 0.36 -0.26 0.00 -0.96 0.00 0.00 56.93 56.08 1wic s PHE 14 Cb -0.06 -4.27 -0.08 0.00 -0.34 0.00 0.00 43.02 38.27 1wic s PHE 14 CO 0.00 -2.07 2.44 1.63 -1.46 0.00 0.00 175.22 175.76 1wic n LYS 15 N 9.11 0.95 -3.13 10.12 4.01 -1.26 -2.75 118.16 135.21 1wic n LYS 15 Ca 0.23 -0.02 -0.29 0.00 -0.51 0.00 0.00 58.31 57.72 1wic n LYS 15 Cb 0.50 -3.31 -0.03 0.00 -0.51 0.00 0.00 35.03 31.68 1wic n LYS 15 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1wic s GLY 16 N 12.01 1.86 0.48 0.72 0.00 -1.26 -4.98 107.32 116.15 1wic s GLY 16 Ca 1.01 -0.43 0.28 0.00 0.00 0.00 0.00 44.72 45.58 1wic s GLY 16 CO 0.28 -0.29 1.80 -0.56 0.00 0.00 0.00 173.10 174.32 1wic h PRO 17 N 1.43 0.00 0.00 2.90 0.13 -1.97 -3.41 132.00 131.08 1wic h PRO 17 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wic h PRO 17 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wic h PRO 17 CO 0.65 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1wic n LEU 18 N -3.04 0.00 -4.54 1.56 4.77 -1.26 -4.80 117.00 109.69 1wic n LEU 18 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.41 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1wic n LEU 18 CO 0.30 -0.22 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.56 1wic s LEU 19 N -3.32 3.22 0.53 2.23 1.98 -1.26 -1.38 118.68 120.68 1wic s LEU 19 Ca 0.00 -0.08 -0.14 0.00 -2.89 0.00 0.00 54.13 51.02 1wic s LEU 19 Cb 0.00 -1.74 -0.07 0.00 0.66 0.00 0.00 46.19 45.04 1wic s LEU 19 CO 0.00 0.26 0.97 -1.00 -1.89 0.00 0.00 176.35 174.69 1wic s HIS 20 N -0.18 3.50 -0.10 5.38 3.76 0.17 -4.12 115.29 123.70 1wic s HIS 20 Ca 0.03 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1wic s HIS 20 Cb -0.13 -2.73 0.02 0.00 1.11 0.00 0.00 32.58 30.85 1wic s HIS 20 CO 0.03 -0.43 -0.09 0.42 -0.85 0.00 0.00 174.74 173.82 1wic s ILE 21 N -2.75 1.09 -0.06 0.60 -1.09 -1.11 -3.08 121.20 114.81 1wic s ILE 21 Ca 0.57 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1wic s ILE 21 Cb -0.10 -1.07 0.02 0.00 -1.58 0.00 0.00 42.46 39.73 1wic s ILE 21 CO 0.37 0.37 -0.08 -0.55 -1.23 0.00 0.00 174.94 173.83 1wic s SER 22 N 1.39 1.40 0.26 3.58 0.15 0.32 -0.13 113.70 120.67 1wic s SER 22 Ca -0.01 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1wic s SER 22 Cb -0.13 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1wic s SER 22 CO -0.05 -0.02 0.00 -0.81 1.20 0.00 0.00 173.24 173.56 1wic n PRO 23 N 4.03 0.62 0.00 5.44 -0.04 -1.26 -0.29 135.00 143.49 1wic n PRO 23 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1wic n PRO 23 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1wic n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic n ALA 24 N -3.00 0.00 -3.18 0.55 0.00 -0.39 -4.30 120.51 110.20 1wic n ALA 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1wic n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1wic n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 25 N 0.00 3.23 -3.51 0.00 1.02 -1.26 -4.74 120.64 115.37 1wic n GLU 25 Ca 0.00 -4.71 -0.14 0.00 -0.02 0.00 0.00 57.16 52.29 1wic n GLU 25 Cb 0.00 -2.31 -0.05 0.00 -0.02 0.00 0.00 31.44 29.07 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wic s GLU 26 N -2.93 0.96 -0.15 3.49 -1.05 -1.24 -4.45 118.70 113.34 1wic s GLU 26 Ca 0.41 0.02 -0.07 0.00 -0.15 0.00 0.00 54.97 55.18 1wic s GLU 26 Cb 0.17 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.37 1wic s GLU 26 CO -0.03 -0.34 0.35 -0.51 0.95 0.00 0.00 175.26 175.67 1wic s LEU 27 N -1.63 -0.07 -0.23 1.83 1.43 0.12 -4.55 118.68 115.58 1wic s LEU 27 Ca -0.05 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1wic s LEU 27 Cb -0.00 1.11 -0.02 0.00 0.03 0.00 0.00 46.19 47.31 1wic s LEU 27 CO 0.01 -0.20 0.00 -0.31 0.23 0.00 0.00 176.35 176.09 1wic s TYR 28 N 1.67 3.01 -0.62 0.29 1.51 -1.26 0.19 117.35 122.15 1wic s TYR 28 Ca -0.07 -0.68 0.02 0.00 -1.01 0.00 0.00 57.07 55.33 1wic s TYR 28 Cb -0.10 -2.14 0.39 0.00 -0.11 0.00 0.00 41.96 39.99 1wic s TYR 28 CO -0.11 -0.43 1.46 1.19 -1.11 0.00 0.00 175.55 176.55 1wic n PHE 29 N 4.73 3.27 -3.13 2.71 3.72 -1.26 -3.99 117.46 123.51 1wic n PHE 29 Ca -0.17 -2.85 0.04 0.00 -0.05 0.00 0.00 57.45 54.42 1wic n PHE 29 Cb 0.51 -0.55 -0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1wic n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wic s GLY 30 N -2.56 -1.11 0.25 1.37 0.00 -1.26 -4.68 107.32 99.33 1wic s GLY 30 Ca 0.49 1.59 0.07 0.00 0.00 0.00 0.00 44.72 46.86 1wic s GLY 30 CO -0.27 3.95 0.24 -0.56 0.00 0.00 0.00 173.10 176.46 1wic s SER 31 N 2.79 5.70 0.49 1.64 0.01 -1.26 -4.99 113.70 118.08 1wic s SER 31 Ca 0.20 -0.18 0.20 0.00 1.31 0.00 0.00 55.95 57.48 1wic s SER 31 Cb -0.04 -1.49 1.24 0.00 0.21 0.00 0.00 66.02 65.93 1wic s SER 31 CO -0.23 -0.06 1.98 -0.29 0.41 0.00 0.00 173.24 175.05 1wic h ILE 32 N 1.41 0.79 -4.06 1.44 2.10 -2.01 -3.41 117.51 113.76 1wic h ILE 32 Ca -0.49 -0.06 -0.51 0.00 1.08 0.00 0.00 64.86 64.88 1wic h ILE 32 Cb 1.24 0.59 0.08 0.00 -1.09 0.00 0.00 36.82 37.64 1wic h ILE 32 CO 0.61 0.03 0.46 -1.83 -1.08 0.00 0.00 178.15 176.34 1wic s GLU 33 N -5.19 3.37 -0.32 2.19 -1.05 -1.26 -4.93 118.70 111.51 1wic s GLU 33 Ca -0.06 1.73 0.10 0.00 -0.15 0.00 0.00 54.97 56.58 1wic s GLU 33 Cb 0.20 -2.11 0.66 0.00 -0.44 0.00 0.00 34.13 32.44 1wic s GLU 33 CO 0.74 -0.86 1.71 0.43 0.95 0.00 0.00 175.26 178.24 1wic n SER 34 N -1.13 4.09 -3.31 0.83 7.64 -1.26 -4.65 113.62 115.83 1wic n SER 34 Ca 0.11 -3.37 -0.39 0.00 1.01 0.00 0.00 58.87 56.23 1wic n SER 34 Cb 0.50 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 63.00 1wic n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 35 N -0.56 5.90 1.08 0.23 0.00 -1.26 -4.94 105.19 105.64 1wic n GLY 35 Ca 0.40 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.25 -2.46 -2.57 1.61 2.13 -1.26 -4.87 120.64 112.97 1wic n GLU 36 Ca 0.48 1.94 -0.43 0.00 0.66 0.00 0.00 57.16 59.81 1wic n GLU 36 Cb 0.27 -1.90 -0.02 0.00 0.27 0.00 0.00 31.44 30.06 1wic n GLU 36 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wic s LYS 37 N -2.36 4.11 0.08 5.31 1.02 -1.26 -4.91 119.74 121.73 1wic s LYS 37 Ca 0.00 1.27 -0.13 0.00 0.02 0.00 0.00 55.97 57.13 1wic s LYS 37 Cb 0.00 -3.74 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 1wic s LYS 37 CO 0.00 -0.85 0.29 -1.59 -0.92 0.00 0.00 175.35 172.29 1wic s LYS 38 N 3.62 0.88 0.27 1.68 0.00 -1.26 -4.36 119.74 120.57 1wic s LYS 38 Ca 0.49 -0.69 0.09 0.00 0.00 0.00 0.00 55.97 55.86 1wic s LYS 38 Cb -0.15 0.38 -0.04 0.00 0.00 0.00 0.00 37.83 38.01 1wic s LYS 38 CO 0.14 -0.30 0.01 -0.08 0.00 0.00 0.00 175.35 175.13 1wic s THR 39 N -3.25 3.45 -0.12 3.79 -1.32 -0.71 -4.75 115.64 112.72 1wic s THR 39 Ca -0.00 -1.88 -0.01 0.00 -1.21 0.00 0.00 61.69 58.59 1wic s THR 39 Cb 0.02 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 1wic s THR 39 CO -0.08 -0.36 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.72 1wic s LEU 40 N -3.69 1.10 0.16 9.08 2.96 -1.26 0.46 118.68 127.49 1wic s LEU 40 Ca 0.32 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.73 1wic s LEU 40 Cb -0.06 -0.71 -0.07 0.00 0.50 0.00 0.00 46.19 45.85 1wic s LEU 40 CO 0.20 -0.18 0.53 -0.63 -1.32 0.00 0.00 176.35 174.96 1wic s ILE 41 N 1.79 4.91 -0.06 6.68 1.01 0.23 -4.72 121.20 131.04 1wic s ILE 41 Ca 0.03 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.42 1wic s ILE 41 Cb -0.14 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1wic s ILE 41 CO -0.07 0.16 -0.24 -0.69 0.00 0.00 0.00 174.94 174.10 1wic s VAL 42 N -1.56 2.16 -0.29 2.92 1.01 0.60 0.29 120.40 125.53 1wic s VAL 42 Ca 0.40 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1wic s VAL 42 Cb -0.14 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1wic s VAL 42 CO 0.20 0.57 -0.03 -0.76 0.00 0.00 0.00 175.10 175.07 1wic s LEU 43 N -0.20 3.82 -0.47 3.92 1.43 -1.12 -0.53 118.68 125.54 1wic s LEU 43 Ca -0.02 -1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 51.23 1wic s LEU 43 Cb -0.13 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1wic s LEU 43 CO 0.03 -0.28 0.47 -0.89 0.23 0.00 0.00 176.35 175.91 1wic s THR 44 N 1.08 5.10 -0.31 5.49 2.01 -1.18 -1.82 115.64 126.00 1wic s THR 44 Ca -0.00 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 1wic s THR 44 Cb -0.19 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 1wic s THR 44 CO -0.07 -0.59 1.67 0.21 -0.69 0.00 0.00 174.62 175.15 1wic s ASN 45 N 2.38 6.12 -0.51 3.53 2.47 -0.82 -0.66 114.94 127.44 1wic s ASN 45 Ca 0.09 1.30 0.02 0.00 0.42 0.00 0.00 52.86 54.70 1wic s ASN 45 Cb -0.21 -2.53 0.57 0.00 -1.45 0.00 0.00 41.25 37.63 1wic s ASN 45 CO 0.10 -1.53 1.90 1.33 -3.72 0.00 0.00 177.10 175.19 1wic n VAL 46 N 7.08 3.30 -4.51 -5.21 0.24 -0.48 -2.03 118.33 116.72 1wic n VAL 46 Ca 0.21 -2.44 -0.25 0.00 -2.04 0.00 0.00 64.34 59.81 1wic n VAL 46 Cb 0.46 -0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 31.99 1wic n VAL 46 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wic s THR 47 N -3.91 2.23 -0.36 3.34 -4.23 -1.24 -4.86 115.64 106.60 1wic s THR 47 Ca 0.59 -2.25 0.09 0.00 -1.18 0.00 0.00 61.69 58.94 1wic s THR 47 Cb 0.48 -2.53 0.67 0.00 1.34 0.00 0.00 72.50 72.46 1wic s THR 47 CO 0.05 -0.27 1.64 0.29 -0.54 0.00 0.00 174.62 175.79 1wic n LYS 48 N -0.72 3.66 -3.69 3.99 5.02 -1.26 -3.96 118.16 121.20 1wic n LYS 48 Ca -0.05 -2.67 -0.14 0.00 -2.02 0.00 0.00 58.31 53.43 1wic n LYS 48 Cb 0.63 -2.12 -0.09 0.00 -0.02 0.00 0.00 35.03 33.43 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1wic s ASN 49 N -0.76 -0.48 0.49 4.39 0.01 -1.26 -4.98 114.94 112.35 1wic s ASN 49 Ca 0.47 0.81 -0.19 0.00 -0.71 0.00 0.00 52.86 53.24 1wic s ASN 49 Cb 0.37 0.83 -0.13 0.00 0.41 0.00 0.00 41.25 42.74 1wic s ASN 49 CO 0.12 -0.29 0.22 -0.38 -1.51 0.00 0.00 177.10 175.27 1wic n ILE 50 N 2.27 1.08 -3.73 0.60 5.41 -1.26 -4.53 119.36 119.19 1wic n ILE 50 Ca -0.16 -0.50 -0.19 0.00 1.00 0.00 0.00 62.75 62.90 1wic n ILE 50 Cb 0.56 -0.29 -0.17 0.00 -0.71 0.00 0.00 39.64 39.03 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 -1.77 0.01 0.19 1.39 1.01 -1.18 0.22 120.40 120.28 1wic s VAL 51 Ca 0.62 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 1wic s VAL 51 Cb -0.53 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 1wic s VAL 51 CO 0.61 0.18 0.92 0.00 0.00 0.00 0.00 175.10 176.80 1wic s ALA 52 N 1.86 3.33 0.05 5.51 0.00 -0.35 -0.71 121.76 131.45 1wic s ALA 52 Ca 0.01 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1wic s ALA 52 Cb -0.12 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1wic s ALA 52 CO -0.03 0.16 -0.13 -0.59 0.00 0.00 0.00 175.76 175.17 1wic s PHE 53 N -0.87 1.10 0.04 0.00 -0.12 0.35 -1.22 117.98 117.27 1wic s PHE 53 Ca 0.42 -0.40 -0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1wic s PHE 53 Cb -0.25 -0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 1wic s PHE 53 CO 0.31 0.02 -0.04 0.15 -0.05 0.00 0.00 175.22 175.61 1wic s LYS 54 N -1.38 0.52 -0.17 1.99 1.02 -0.76 -1.65 119.74 119.31 1wic s LYS 54 Ca -0.01 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1wic s LYS 54 Cb -0.09 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1wic s LYS 54 CO 0.01 -0.07 -0.11 0.08 -0.92 0.00 0.00 175.35 174.35 1wic s VAL 55 N -2.82 1.51 0.38 3.17 1.01 -1.19 0.11 120.40 122.56 1wic s VAL 55 Ca -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1wic s VAL 55 Cb -0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1wic s VAL 55 CO -0.06 0.28 0.06 -0.13 0.00 0.00 0.00 175.10 175.25 1wic s ARG 56 N 1.48 1.82 0.17 2.72 3.00 0.18 -4.81 118.95 123.50 1wic s ARG 56 Ca 0.02 -2.06 -0.24 0.00 0.00 0.00 0.00 55.73 53.45 1wic s ARG 56 Cb -0.15 -1.03 0.06 0.00 0.00 0.00 0.00 34.95 33.83 1wic s ARG 56 CO -0.09 -0.24 0.86 -0.08 0.00 0.00 0.00 175.30 175.75 1wic s THR 57 N -3.13 0.00 -0.48 0.02 -1.32 -1.26 0.19 115.64 109.67 1wic s THR 57 Ca 0.30 -0.62 0.04 0.00 -1.21 0.00 0.00 61.69 60.20 1wic s THR 57 Cb 0.07 -1.79 0.30 0.00 -1.51 0.00 0.00 72.50 69.57 1wic s THR 57 CO 0.14 0.00 1.15 0.35 -2.21 0.00 0.00 174.62 174.05 1wic n THR 58 N -0.43 1.42 0.00 5.08 -2.24 -1.16 -4.23 114.28 112.71 1wic n THR 58 Ca -0.07 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1wic n THR 58 Cb 0.61 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.08 0.00 1.49 6.98 0.00 -1.26 -4.95 120.51 122.85 1wic n ALA 59 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1wic n ALA 59 Cb 0.77 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.89 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 0.00 0.75 -1.87 0.00 -0.04 -1.26 -3.48 135.00 129.10 1wic n PRO 60 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1wic n PRO 60 Cb 0.00 -1.47 0.04 0.00 -0.04 0.00 0.00 33.50 32.03 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 -0.97 2.82 0.00 0.54 0.28 -1.26 -4.27 120.64 117.77 1wic n GLU 61 Ca 0.17 -3.58 0.00 0.00 -0.16 0.00 0.00 57.16 53.59 1wic n GLU 61 Cb 0.08 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.68 1wic n GLU 61 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1wic n LYS 62 N -0.60 0.00 -3.93 3.44 2.85 -1.23 -5.02 118.16 113.67 1wic n LYS 62 Ca 0.54 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.45 1wic n LYS 62 Cb 0.36 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.66 1wic n LYS 62 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1wic s TYR 63 N -1.03 3.40 -0.79 5.58 2.02 -1.24 0.20 117.35 125.49 1wic s TYR 63 Ca 0.00 0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 56.85 1wic s TYR 63 Cb 0.00 -2.02 0.17 0.00 -0.40 0.00 0.00 41.96 39.71 1wic s TYR 63 CO 0.00 0.43 0.83 0.50 -1.57 0.00 0.00 175.55 175.74 1wic s ARG 64 N -0.26 3.45 -0.30 -0.62 6.06 0.50 -4.82 118.95 122.97 1wic s ARG 64 Ca 0.10 -2.01 -0.13 0.00 -2.50 0.00 0.00 55.73 51.18 1wic s ARG 64 Cb -0.12 -4.52 -0.03 0.00 0.06 0.00 0.00 34.95 30.34 1wic s ARG 64 CO 0.01 -1.47 0.30 0.14 -2.50 0.00 0.00 175.30 171.78 1wic s VAL 65 N 1.41 5.23 -0.25 7.11 -7.23 -1.26 -1.65 120.40 123.76 1wic s VAL 65 Ca 0.20 0.23 -0.17 0.00 -1.81 0.00 0.00 61.98 60.43 1wic s VAL 65 Cb -0.13 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.21 1wic s VAL 65 CO -0.05 0.11 0.62 -0.75 -0.31 0.00 0.00 175.10 174.72 1wic s LYS 66 N 1.92 0.67 0.42 4.82 2.20 -0.53 -3.65 119.74 125.60 1wic s LYS 66 Ca 0.11 1.03 -0.23 0.00 -0.36 0.00 0.00 55.97 56.51 1wic s LYS 66 Cb -0.16 0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 36.27 1wic s LYS 66 CO 0.11 -0.13 1.05 -1.25 -0.36 0.00 0.00 175.35 174.77 1wic s PRO 67 N 1.11 4.08 -0.13 4.03 0.04 -1.25 -0.07 135.00 142.80 1wic s PRO 67 Ca -0.06 1.49 0.15 0.00 0.04 0.00 0.00 61.00 62.62 1wic s PRO 67 Cb -0.05 -2.45 0.43 0.00 0.04 0.00 0.00 34.50 32.46 1wic s PRO 67 CO -0.11 -0.21 1.33 -1.13 0.04 0.00 0.00 177.00 176.92 1wic n SER 68 N -0.26 3.38 -3.15 6.66 3.41 -1.24 -4.64 113.62 117.78 1wic n SER 68 Ca 0.06 -2.82 0.05 0.00 -0.26 0.00 0.00 58.87 55.90 1wic n SER 68 Cb 0.50 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.90 -0.64 0.00 4.04 4.22 -1.26 -3.16 114.94 116.24 1wic s ASN 69 Ca 0.35 0.32 0.00 0.00 -2.14 0.00 0.00 52.86 51.39 1wic s ASN 69 Cb 0.28 1.50 0.00 0.00 1.28 0.00 0.00 41.25 44.31 1wic s ASN 69 CO 0.09 -0.12 0.00 -0.24 -2.04 0.00 0.00 177.10 174.79 1wic n SER 70 N 5.40 0.00 -4.11 3.54 2.88 -0.66 -4.83 113.62 115.84 1wic n SER 70 Ca -0.03 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1wic n SER 70 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 1wic n SER 70 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wic s SER 71 N -4.00 0.60 -0.19 -3.46 0.01 -1.26 0.13 113.70 105.52 1wic s SER 71 Ca 0.00 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.24 1wic s SER 71 Cb 0.00 0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.46 1wic s SER 71 CO 0.00 -0.59 -0.13 0.00 0.41 0.00 0.00 173.24 172.93 1wic n ASP 73 N 4.65 -2.86 -4.70 0.00 8.00 -1.26 -3.12 116.55 117.26 1wic n ASP 73 Ca -0.16 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1wic n ASP 73 Cb 0.47 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wic s PRO 74 N -3.22 4.40 -0.12 -0.24 0.04 -1.26 -3.13 135.00 131.47 1wic s PRO 74 Ca 0.52 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.27 1wic s PRO 74 Cb -0.16 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1wic s PRO 74 CO 0.69 -0.33 0.05 0.41 0.04 0.00 0.00 177.00 177.86 1wic n GLY 75 N 3.27 0.59 2.97 0.56 0.00 -0.86 -4.99 105.19 106.73 1wic n GLY 75 Ca 0.10 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.93 0.63 -3.44 4.61 0.00 -1.18 -5.00 120.51 114.20 1wic n ALA 76 Ca -0.01 -1.81 -0.13 0.00 0.00 0.00 0.00 53.44 51.49 1wic n ALA 76 Cb 0.51 1.41 -0.14 0.00 0.00 0.00 0.00 19.45 21.23 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 -3.17 -0.09 0.46 0.00 1.04 -1.26 -1.95 113.70 108.73 1wic s SER 77 Ca 0.33 0.23 0.08 0.00 0.48 0.00 0.00 55.95 57.07 1wic s SER 77 Cb 0.02 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1wic s SER 77 CO 0.23 -0.10 0.48 -0.51 0.98 0.00 0.00 173.24 174.32 1wic s ILE 78 N 0.71 2.47 -0.09 -1.02 2.07 -0.76 -4.91 121.20 119.68 1wic s ILE 78 Ca -0.05 -1.25 0.00 0.00 -1.41 0.00 0.00 60.65 57.94 1wic s ILE 78 Cb -0.07 -2.72 0.02 0.00 0.13 0.00 0.00 42.46 39.82 1wic s ILE 78 CO -0.03 0.00 -0.08 -1.81 -1.91 0.00 0.00 174.94 171.11 1wic s ASP 79 N -4.28 1.85 -0.31 4.50 1.01 -1.26 -2.80 116.67 115.38 1wic s ASP 79 Ca 0.49 -0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.53 1wic s ASP 79 Cb -0.05 -0.75 0.09 0.00 1.01 0.00 0.00 42.92 43.22 1wic s ASP 79 CO 0.29 -0.08 -0.00 -0.63 0.21 0.00 0.00 175.17 174.97 1wic s ILE 80 N 1.34 2.22 0.42 0.77 -1.09 0.15 -3.97 121.20 121.04 1wic s ILE 80 Ca -0.03 -2.09 -0.23 0.00 -2.23 0.00 0.00 60.65 56.08 1wic s ILE 80 Cb -0.14 -2.53 -0.09 0.00 -1.58 0.00 0.00 42.46 38.12 1wic s ILE 80 CO -0.04 -0.41 1.01 -0.63 -1.23 0.00 0.00 174.94 173.64 1wic s ILE 81 N 0.98 3.98 -0.31 2.92 1.09 0.91 0.76 121.20 131.54 1wic s ILE 81 Ca 0.04 1.39 -0.03 0.00 -1.10 0.00 0.00 60.65 60.95 1wic s ILE 81 Cb -0.19 -3.65 0.11 0.00 -1.06 0.00 0.00 42.46 37.67 1wic s ILE 81 CO -0.07 -0.12 0.17 -0.69 -0.10 0.00 0.00 174.94 174.12 1wic s VAL 82 N -1.87 -0.05 -0.20 2.92 1.01 0.17 -1.45 120.40 120.93 1wic s VAL 82 Ca 0.60 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1wic s VAL 82 Cb -0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1wic s VAL 82 CO 0.21 -0.77 0.01 -0.55 0.00 0.00 0.00 175.10 174.00 1wic s SER 83 N 1.87 4.90 0.71 3.32 0.15 -0.66 -1.74 113.70 122.24 1wic s SER 83 Ca 0.11 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 1wic s SER 83 Cb -0.17 -1.84 0.02 0.00 -1.71 0.00 0.00 66.02 62.31 1wic s SER 83 CO -0.27 0.06 1.07 -2.16 1.20 0.00 0.00 173.24 173.13 1wic s PRO 84 N 1.02 2.82 0.80 5.44 0.04 -1.26 0.19 135.00 144.05 1wic s PRO 84 Ca 0.02 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1wic s PRO 84 Cb -0.14 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.59 1wic s PRO 84 CO 0.02 -1.17 0.38 1.58 0.04 0.00 0.00 177.00 177.85 1wic n HIS 85 N -3.17 -2.37 -0.09 0.56 -0.00 0.55 -4.83 115.22 105.87 1wic n HIS 85 Ca 0.07 -0.16 -0.09 0.00 0.46 0.00 0.00 57.72 58.01 1wic n HIS 85 Cb 0.54 -0.97 -0.03 0.00 -0.12 0.00 0.00 29.99 29.41 1wic n HIS 85 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wic n GLY 86 N -1.66 -0.62 0.19 1.57 0.00 -1.26 -4.73 105.19 98.68 1wic n GLY 86 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1wic n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wic h GLY 87 N -1.00 -0.86 -0.77 -0.02 0.00 -2.00 -3.43 103.07 95.00 1wic h GLY 87 Ca -0.01 0.38 -0.33 0.00 0.00 0.00 0.00 47.33 47.36 1wic h GLY 87 CO -0.01 -0.29 0.06 1.47 0.00 0.00 0.00 176.54 177.77 1wic n LEU 88 N -3.45 0.00 -4.21 3.11 -0.00 -1.26 -5.08 117.00 106.11 1wic n LEU 88 Ca -0.05 -0.95 -0.13 0.00 -0.00 0.00 0.00 56.01 54.89 1wic n LEU 88 Cb 0.17 -0.85 -0.10 0.00 -0.00 0.00 0.00 43.42 42.65 1wic n LEU 88 CO 0.10 -2.09 -0.22 0.28 -0.00 0.00 0.00 177.39 175.46 1wic s THR 89 N -2.57 0.00 -0.16 1.47 -1.32 -1.26 -4.69 115.64 107.10 1wic s THR 89 Ca 0.60 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.89 1wic s THR 89 Cb -0.07 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 1wic s THR 89 CO 0.46 0.00 0.53 0.54 -2.21 0.00 0.00 174.62 173.94 1wic s VAL 90 N -4.08 5.12 0.17 5.08 0.11 -1.26 -4.99 120.40 120.55 1wic s VAL 90 Ca 0.39 1.01 0.01 0.00 -2.93 0.00 0.00 61.98 60.47 1wic s VAL 90 Cb 0.06 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.05 1wic s VAL 90 CO 0.14 0.23 0.05 -1.20 -3.33 0.00 0.00 175.10 170.99 1wic n SER 91 N 4.31 1.21 -2.06 3.54 7.64 -1.26 -5.02 113.62 121.97 1wic n SER 91 Ca -0.05 -1.87 -0.23 0.00 1.01 0.00 0.00 58.87 57.73 1wic n SER 91 Cb 0.51 0.38 0.05 0.00 -1.01 0.00 0.00 64.21 64.14 1wic n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wic n ALA 92 N -2.24 5.56 -0.02 -0.43 0.00 -1.26 -3.89 120.51 118.23 1wic n ALA 92 Ca -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 53.44 51.04 1wic n ALA 92 Cb 0.24 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.05 1.96 -2.89 0.00 6.02 -1.26 -5.04 117.38 116.12 1wic n GLN 93 Ca 0.41 0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 57.18 1wic n GLN 93 Cb 0.60 -1.10 0.02 0.00 1.02 0.00 0.00 30.24 30.77 1wic n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wic s ASP 94 N -3.93 5.76 0.03 1.08 1.01 -1.25 -5.12 116.67 114.24 1wic s ASP 94 Ca -0.04 0.30 -0.06 0.00 0.71 0.00 0.00 52.55 53.46 1wic s ASP 94 Cb 0.01 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 1wic s ASP 94 CO 0.15 -0.78 0.10 -0.13 0.21 0.00 0.00 175.17 174.72 1wic s ARG 95 N -4.62 0.56 0.16 8.23 1.81 -1.26 -4.69 118.95 119.14 1wic s ARG 95 Ca 0.50 -0.67 0.07 0.00 -1.72 0.00 0.00 55.73 53.91 1wic s ARG 95 Cb -0.10 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.58 1wic s ARG 95 CO 0.39 -0.14 -0.00 -0.06 -0.68 0.00 0.00 175.30 174.81 1wic s PHE 96 N -2.30 2.86 0.04 -0.53 0.08 -1.10 -3.01 117.98 114.01 1wic s PHE 96 Ca -0.07 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1wic s PHE 96 Cb -0.03 -1.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 1wic s PHE 96 CO -0.03 0.51 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.33 1wic s LEU 97 N -2.86 2.18 -0.01 -0.37 1.98 0.52 0.08 118.68 120.20 1wic s LEU 97 Ca 0.27 -0.44 0.01 0.00 -2.89 0.00 0.00 54.13 51.08 1wic s LEU 97 Cb -0.10 -0.36 0.00 0.00 0.66 0.00 0.00 46.19 46.40 1wic s LEU 97 CO 0.18 -0.07 -0.03 -0.63 -1.89 0.00 0.00 176.35 173.92 1wic s ILE 98 N -0.96 0.26 0.15 6.68 1.01 0.39 0.47 121.20 129.19 1wic s ILE 98 Ca -0.03 -0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1wic s ILE 98 Cb -0.08 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1wic s ILE 98 CO 0.01 0.10 -0.00 -0.04 0.00 0.00 0.00 174.94 175.00 1wic s MET 99 N 0.18 2.43 -0.30 2.79 -1.94 0.30 0.19 119.30 122.94 1wic s MET 99 Ca -0.02 -1.03 -0.09 0.00 -1.71 0.00 0.00 55.69 52.84 1wic s MET 99 Cb -0.04 -2.40 0.15 0.00 2.01 0.00 0.00 34.83 34.54 1wic s MET 99 CO -0.00 0.48 0.70 0.00 -0.01 0.00 0.00 175.02 176.18 1wic s ALA 100 N -1.59 -2.23 -0.02 3.03 0.00 0.46 -1.82 121.76 119.59 1wic s ALA 100 Ca 0.27 2.17 0.01 0.00 0.00 0.00 0.00 51.96 54.41 1wic s ALA 100 Cb -0.10 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1wic s ALA 100 CO 0.18 -1.03 -0.03 0.00 0.00 0.00 0.00 175.76 174.87 1wic s ALA 101 N 2.83 0.43 -0.09 0.00 0.00 -0.36 -1.11 121.76 123.46 1wic s ALA 101 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 1wic s ALA 101 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1wic s ALA 101 CO -0.19 0.03 1.51 -2.00 0.00 0.00 0.00 175.76 175.12 1wic s GLU 102 N 0.39 4.20 0.65 0.00 2.12 -1.26 -1.21 118.70 123.59 1wic s GLU 102 Ca -0.04 2.00 -0.02 0.00 0.36 0.00 0.00 54.97 57.26 1wic s GLU 102 Cb -0.08 -3.91 0.07 0.00 0.26 0.00 0.00 34.13 30.48 1wic s GLU 102 CO -0.00 -0.80 0.92 -1.64 -0.54 0.00 0.00 175.26 173.20 1wic s MET 103 N 3.84 2.16 0.00 4.30 -1.94 0.13 -4.93 119.30 122.86 1wic s MET 103 Ca 0.67 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.98 1wic s MET 103 Cb -0.29 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.23 1wic s MET 103 CO 0.24 -1.11 0.00 0.39 -0.01 0.00 0.00 175.02 174.53 1wic n GLU 104 N -2.70 3.24 -0.08 2.03 1.02 -1.26 -4.42 120.64 118.47 1wic n GLU 104 Ca 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1wic n GLU 104 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.68 -4.24 3.49 10.64 -1.26 -4.09 117.38 122.60 1wic n GLN 105 Ca 0.00 0.09 -0.35 0.00 -1.83 0.00 0.00 57.00 54.91 1wic n GLN 105 Cb 0.00 -1.59 -0.09 0.00 -0.86 0.00 0.00 30.24 27.70 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1wic s SER 106 N -5.85 5.39 -0.30 2.61 0.01 -1.26 -4.89 113.70 109.41 1wic s SER 106 Ca -0.13 0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.09 1wic s SER 106 Cb 0.07 -1.69 0.18 0.00 0.21 0.00 0.00 66.02 64.79 1wic s SER 106 CO 0.79 0.31 1.12 -0.55 0.41 0.00 0.00 173.24 175.32 1wic s SER 107 N -0.47 -0.30 0.00 2.44 0.15 -1.26 -5.02 113.70 109.24 1wic s SER 107 Ca 0.09 0.47 0.28 0.00 0.70 0.00 0.00 55.95 57.49 1wic s SER 107 Cb -0.12 1.18 1.06 0.00 -1.71 0.00 0.00 66.02 66.43 1wic s SER 107 CO 0.02 -0.07 1.76 0.61 1.20 0.00 0.00 173.24 176.75 1wic n GLY 108 N 3.71 -0.79 3.74 9.45 0.00 -1.26 -4.91 105.19 115.13 1wic n GLY 108 Ca -0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.81 -0.35 -1.18 2.61 -2.24 -1.26 -4.90 114.28 106.15 1wic n THR 109 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1wic n THR 109 Cb 0.30 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.99 0.35 0.10 3.38 0.00 -1.26 -4.37 105.19 102.40 1wic n GLY 110 Ca 0.05 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 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 0.18 0.34 1.61 0.13 -1.90 -3.15 132.00 129.20 1wic h PRO 111 Ca 0.00 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 1wic h PRO 111 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1wic h PRO 111 CO 0.00 0.88 -0.16 0.00 -0.23 0.00 0.00 178.00 178.49 1wic h ALA 112 N 0.30 -0.47 -0.59 -0.56 0.00 -1.98 -2.60 119.26 113.36 1wic h ALA 112 Ca -0.02 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1wic h ALA 112 Cb 0.95 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 1wic h ALA 112 CO 0.05 -0.44 -0.20 0.39 0.00 0.00 0.00 179.25 179.05 1wic n GLU 113 N -4.93 -0.10 0.02 0.00 4.71 -1.26 0.11 120.64 119.18 1wic n GLU 113 Ca -0.06 0.91 -0.01 0.00 -0.01 0.00 0.00 57.16 58.00 1wic n GLU 113 Cb 0.18 -1.36 -0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1wic n GLU 113 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wic h LEU 114 N 0.00 -0.04 -1.88 -4.62 -0.00 -1.62 0.76 115.31 107.91 1wic h LEU 114 Ca 0.24 0.00 0.55 0.00 -0.00 0.00 0.00 57.88 58.67 1wic h LEU 114 Cb 0.38 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 40.98 1wic h LEU 114 CO -0.59 -0.02 1.35 -0.24 -0.00 0.00 0.00 178.44 178.93 1wic n SER 115 N -2.12 0.01 -0.07 -0.43 2.88 0.54 0.11 113.62 114.54 1wic n SER 115 Ca -0.01 0.97 -0.09 0.00 -1.33 0.00 0.00 58.87 58.41 1wic n SER 115 Cb 0.02 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 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 0.00 -0.86 -1.46 1.08 0.11 -3.11 115.11 110.87 1wic h GLN 116 Ca 0.90 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 58.22 1wic h GLN 116 Cb 3.60 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 30.95 1wic h GLN 116 CO -0.03 0.63 0.48 0.35 -0.95 0.00 0.00 178.83 179.32 1wic h PHE 117 N -1.00 0.87 0.00 2.96 3.57 0.76 1.01 116.94 125.11 1wic h PHE 117 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1wic h PHE 117 Cb 0.66 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1wic h PHE 117 CO 0.16 0.30 0.00 -1.49 -2.23 0.00 0.00 178.31 175.05 1wic h TRP 118 N 0.76 0.00 0.00 0.41 -0.00 -0.34 0.45 115.95 117.23 1wic h TRP 118 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.33 1wic h TRP 118 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.65 1wic h TRP 118 CO -0.06 0.00 -0.74 -0.22 -0.00 0.00 0.00 178.44 177.42 1wic h LYS 119 N 0.00 0.00 0.03 0.49 3.11 0.11 -3.36 116.57 116.95 1wic h LYS 119 Ca 0.00 0.00 -0.39 0.00 -2.81 0.00 0.00 60.65 57.45 1wic h LYS 119 Cb 0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.47 1wic h LYS 119 CO 0.00 0.00 -2.36 0.39 -2.81 0.00 0.00 179.45 174.67 1wic n GLU 120 N -2.19 0.67 -2.27 1.90 1.02 0.32 -4.92 120.64 115.17 1wic n GLU 120 Ca 0.03 0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1wic n GLU 120 Cb 0.46 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1wic n GLU 120 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wic s VAL 121 N -2.52 3.62 0.92 2.62 1.01 0.13 -5.01 120.40 121.16 1wic s VAL 121 Ca -0.33 1.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1wic s VAL 121 Cb 0.09 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.88 1wic s VAL 121 CO 0.63 0.07 1.14 -2.16 0.00 0.00 0.00 175.10 174.78 1wic s PRO 122 N 1.28 1.08 0.00 2.72 0.04 -1.26 -4.78 135.00 134.08 1wic s PRO 122 Ca 0.62 0.27 0.21 0.00 0.04 0.00 0.00 61.00 62.14 1wic s PRO 122 Cb -0.33 -1.83 1.23 0.00 0.04 0.00 0.00 34.50 33.60 1wic s PRO 122 CO 0.29 -2.23 1.70 2.89 0.04 0.00 0.00 177.00 179.69 1wic n ARG 123 N -3.79 0.86 -0.03 4.56 0.00 -1.26 -0.62 116.66 116.38 1wic n ARG 123 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.97 1wic n ARG 123 Cb 0.59 -1.37 -0.16 0.00 -0.00 0.00 0.00 32.46 31.52 1wic n ARG 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wic n ASN 124 N -0.87 0.25 -0.09 2.89 3.02 -1.26 -4.42 115.26 114.77 1wic n ASN 124 Ca 0.15 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 1wic n ASN 124 Cb 0.07 1.70 -0.14 0.00 -0.61 0.00 0.00 39.78 40.81 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wic n LYS 125 N -2.35 0.98 -2.12 3.52 4.76 -0.97 -4.88 118.16 117.11 1wic n LYS 125 Ca -0.11 0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 54.92 1wic n LYS 125 Cb 0.69 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 32.39 1wic n LYS 125 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wic s VAL 126 N -2.44 3.62 -0.29 -0.18 1.01 0.21 -4.72 120.40 117.61 1wic s VAL 126 Ca -0.13 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1wic s VAL 126 Cb 0.06 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1wic s VAL 126 CO 0.70 -0.55 1.07 -0.32 0.00 0.00 0.00 175.10 176.01 1wic s MET 127 N 5.44 4.12 -0.22 2.72 1.75 -0.27 -4.85 119.30 127.99 1wic s MET 127 Ca 0.73 1.16 -0.07 0.00 -1.25 0.00 0.00 55.69 56.26 1wic s MET 127 Cb -0.19 -3.71 -0.03 0.00 2.84 0.00 0.00 34.83 33.73 1wic s MET 127 CO 0.33 -0.83 0.05 -1.21 -0.65 0.00 0.00 175.02 172.71 1wic s GLU 128 N 3.54 3.74 -0.20 4.11 2.02 -1.26 -0.40 118.70 130.26 1wic s GLU 128 Ca 0.45 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1wic s GLU 128 Cb -0.13 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.90 1wic s GLU 128 CO 0.13 0.00 -0.15 -1.58 0.02 0.00 0.00 175.26 173.68 1wic s HIS 129 N 1.08 2.89 -0.15 1.61 2.46 0.51 -4.90 115.29 118.78 1wic s HIS 129 Ca 0.04 -1.62 -0.14 0.00 0.47 0.00 0.00 55.06 53.80 1wic s HIS 129 Cb -0.14 -1.96 -0.05 0.00 -0.13 0.00 0.00 32.58 30.30 1wic s HIS 129 CO 0.03 -0.77 0.32 1.03 -2.47 0.00 0.00 174.74 172.87 1wic s ARG 130 N 1.30 4.26 0.36 2.88 3.00 -1.26 0.15 118.95 129.63 1wic s ARG 130 Ca 0.03 0.15 0.07 0.00 0.00 0.00 0.00 55.73 55.98 1wic s ARG 130 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 34.95 31.37 1wic s ARG 130 CO -0.10 0.23 0.45 -0.51 0.00 0.00 0.00 175.30 175.38 1wic s LEU 131 N 0.46 3.79 0.13 2.53 1.43 0.11 -4.84 118.68 122.29 1wic s LEU 131 Ca 0.18 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1wic s LEU 131 Cb -0.13 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1wic s LEU 131 CO 0.05 -0.50 -0.10 0.00 0.23 0.00 0.00 176.35 176.02 1wic s ARG 132 N -4.17 0.99 0.26 1.70 1.70 -1.26 -2.69 118.95 115.47 1wic s ARG 132 Ca 0.47 -1.35 -0.21 0.00 -0.47 0.00 0.00 55.73 54.17 1wic s ARG 132 Cb -0.08 -0.62 -0.09 0.00 -0.57 0.00 0.00 34.95 33.59 1wic s ARG 132 CO 0.30 0.09 0.78 0.00 -1.08 0.00 0.00 175.30 175.39 1wic n HIS 134 N 0.56 0.68 -1.16 0.00 -0.00 0.51 -4.57 115.22 111.24 1wic n HIS 134 Ca -0.01 -1.68 -0.19 0.00 0.46 0.00 0.00 57.72 56.30 1wic n HIS 134 Cb 0.51 -1.50 0.15 0.00 -0.12 0.00 0.00 29.99 29.03 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 1.80 0.00 -2.67 3.57 -2.24 -1.26 -4.94 114.28 108.53 1wic n THR 135 Ca 0.45 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1wic n THR 135 Cb 0.76 -1.38 0.11 0.00 -2.10 0.00 0.00 70.33 67.72 1wic n THR 135 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wic n VAL 136 N -3.63 0.00 -3.09 2.28 3.14 -1.26 -5.07 118.33 110.70 1wic n VAL 136 Ca 0.10 -0.79 -0.19 0.00 -2.96 0.00 0.00 64.34 60.51 1wic n VAL 136 Cb 0.37 1.12 -0.04 0.00 -1.06 0.00 0.00 33.84 34.23 1wic n VAL 136 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1wic n GLU 137 N 0.42 0.56 -1.21 1.45 2.13 -1.26 -5.11 120.64 117.62 1wic n GLU 137 Ca -0.05 -2.73 0.10 0.00 0.66 0.00 0.00 57.16 55.14 1wic n GLU 137 Cb 0.75 -1.42 -0.05 0.00 0.27 0.00 0.00 31.44 30.98 1wic n GLU 137 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1wic n SER 138 N 2.06 -6.54 -3.18 4.31 7.64 -1.26 -5.03 113.62 111.63 1wic n SER 138 Ca 0.21 1.31 0.05 0.00 1.01 0.00 0.00 58.87 61.44 1wic n SER 138 Cb 0.54 -4.02 -0.02 0.00 -1.01 0.00 0.00 64.21 59.70 1wic n SER 138 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wic s SER 139 N -6.11 -0.35 -0.22 6.43 0.15 -1.26 -5.00 113.70 107.33 1wic s SER 139 Ca 0.00 0.28 -0.08 0.00 0.70 0.00 0.00 55.95 56.84 1wic s SER 139 Cb 0.00 1.32 0.09 0.00 -1.71 0.00 0.00 66.02 65.72 1wic s SER 139 CO 0.00 -0.07 0.48 -0.75 1.20 0.00 0.00 173.24 174.11 1wic s LYS 140 N 2.79 0.41 0.87 5.44 2.20 -1.26 -5.17 119.74 125.02 1wic s LYS 140 Ca -0.03 1.11 -0.15 0.00 -0.36 0.00 0.00 55.97 56.54 1wic s LYS 140 Cb -0.08 0.40 0.21 0.00 -1.51 0.00 0.00 37.83 36.84 1wic s LYS 140 CO -0.12 -0.22 0.96 -0.35 -0.36 0.00 0.00 175.35 175.26 1wic n PRO 141 N 5.20 -1.84 -3.74 4.03 -0.04 -1.26 -5.10 135.00 132.24 1wic n PRO 141 Ca -0.12 -1.50 -0.13 0.00 -0.04 0.00 0.00 63.50 61.71 1wic n PRO 141 Cb 0.51 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 1wic n PRO 141 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1wic s ASN 142 N -4.35 -0.19 0.42 3.54 3.84 -1.26 -5.11 114.94 111.83 1wic s ASN 142 Ca 0.58 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.66 1wic s ASN 142 Cb -0.03 0.34 0.00 0.00 -0.55 0.00 0.00 41.25 41.01 1wic s ASN 142 CO 0.42 -0.52 0.00 -1.20 -2.79 0.00 0.00 177.10 173.01 1wic n SER 143 N 0.98 -7.79 -3.16 -4.21 7.64 -1.26 -5.07 113.62 100.75 1wic n SER 143 Ca -0.20 1.09 0.05 0.00 1.01 0.00 0.00 58.87 60.83 1wic n SER 143 Cb 0.57 -4.05 -0.02 0.00 -1.01 0.00 0.00 64.21 59.70 1wic n SER 143 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1wic s LEU 144 N -2.86 -0.09 -0.31 -3.43 2.96 -1.26 -5.12 118.68 108.57 1wic s LEU 144 Ca 0.00 0.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 1wic s LEU 144 Cb 0.00 1.08 0.20 0.00 0.50 0.00 0.00 46.19 47.97 1wic s LEU 144 CO 0.00 -0.02 1.14 -0.32 -1.32 0.00 0.00 176.35 175.83 1wic s MET 145 N 2.82 0.07 0.01 1.98 1.75 -1.26 -5.17 119.30 119.50 1wic s MET 145 Ca -0.08 -0.05 -0.28 0.00 -1.25 0.00 0.00 55.69 54.03 1wic s MET 145 Cb -0.07 0.00 0.10 0.00 2.84 0.00 0.00 34.83 37.70 1wic s MET 145 CO -0.09 -0.09 1.25 -0.51 -0.65 0.00 0.00 175.02 174.93 1wic s LEU 146 N 1.51 -0.02 -0.12 4.11 1.43 -1.26 -5.07 118.68 119.25 1wic s LEU 146 Ca 0.18 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1wic s LEU 146 Cb 0.09 1.46 -0.07 0.00 0.03 0.00 0.00 46.19 47.70 1wic s LEU 146 CO -0.14 -0.40 0.14 -1.28 0.23 0.00 0.00 176.35 174.91 1wic h SER 147 N 2.00 0.00 -5.99 2.29 0.87 -2.04 -3.50 113.55 107.19 1wic h SER 147 Ca -0.26 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1wic h SER 147 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1wic h SER 147 CO 0.31 0.73 -0.68 0.61 -0.53 0.00 0.00 176.83 177.27 1wic n GLY 148 N 1.69 -1.13 2.50 5.77 0.00 -1.26 -4.66 105.19 108.10 1wic n GLY 148 Ca -0.06 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1wic n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wic n PRO 149 N 1.77 2.75 -4.50 1.61 -0.04 -1.26 -4.83 135.00 130.49 1wic n PRO 149 Ca -0.05 -1.79 -0.27 0.00 -0.04 0.00 0.00 63.50 61.36 1wic n PRO 149 Cb 0.27 -2.62 -0.13 0.00 -0.04 0.00 0.00 33.50 30.98 1wic n PRO 149 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wic s SER 150 N 2.93 2.81 0.00 3.54 0.01 -1.26 -5.08 113.70 116.64 1wic s SER 150 Ca 0.52 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1wic s SER 150 Cb 0.13 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1wic s SER 150 CO -0.04 0.15 0.00 -1.54 0.41 0.00 0.00 173.24 172.21 1wic n SER 151 N 1.36 0.00 0.00 2.44 3.41 -1.26 -5.22 113.62 114.35 1wic n SER 151 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1wic n SER 151 Cb 0.53 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49