#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 -1.16 0.00 1.61 0.01 -1.26 -5.15 113.70 107.74 1wic s SER 2 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1wic s SER 2 Cb 0.00 2.26 0.00 0.00 0.21 0.00 0.00 66.02 68.49 1wic s SER 2 CO 0.00 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.19 1wic n SER 3 N 5.43 0.00 0.00 2.44 2.88 -1.26 -5.12 113.62 117.99 1wic n SER 3 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1wic n SER 3 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1wic n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 4 N -0.05 -1.41 3.09 0.46 0.00 -1.26 -5.14 105.19 100.88 1wic n GLY 4 Ca 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.18 -3.54 1.61 2.88 -1.26 -4.99 113.62 103.14 1wic n SER 5 Ca 0.00 0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.78 1wic n SER 5 Cb 0.00 -0.80 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 1wic n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wic s SER 6 N -1.01 0.25 0.00 -3.46 0.01 -1.26 -5.08 113.70 103.15 1wic s SER 6 Ca 0.46 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1wic s SER 6 Cb -0.29 1.00 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1wic s SER 6 CO 0.77 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.76 1wic n GLY 7 N 5.36 2.22 1.43 3.44 0.00 -1.26 -4.13 105.19 112.25 1wic n GLY 7 Ca -0.06 -0.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 1wic n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wic n LYS 8 N 0.51 0.32 -4.18 1.61 3.00 -1.26 -5.02 118.16 113.13 1wic n LYS 8 Ca 0.00 -1.13 -0.24 0.00 -0.00 0.00 0.00 58.31 56.94 1wic n LYS 8 Cb 0.00 1.13 -0.06 0.00 0.00 0.00 0.00 35.03 36.10 1wic n LYS 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1wic s LYS 9 N -2.29 2.61 -0.50 1.64 -2.85 -1.26 -5.00 119.74 112.10 1wic s LYS 9 Ca 0.11 -1.14 -0.28 0.00 -1.00 0.00 0.00 55.97 53.66 1wic s LYS 9 Cb -0.01 -2.41 0.01 0.00 -2.06 0.00 0.00 37.83 33.36 1wic s LYS 9 CO 0.08 0.42 1.46 -1.25 0.10 0.00 0.00 175.35 176.16 1wic s PRO 10 N -3.46 3.37 0.25 1.78 0.04 -1.26 -4.97 135.00 130.75 1wic s PRO 10 Ca 0.31 0.70 0.04 0.00 0.04 0.00 0.00 61.00 62.09 1wic s PRO 10 Cb -0.08 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 1wic s PRO 10 CO 0.22 -1.84 -0.00 -1.17 0.04 0.00 0.00 177.00 174.25 1wic s LEU 11 N 6.03 2.23 0.38 -3.56 1.98 -1.26 -5.02 118.68 119.46 1wic s LEU 11 Ca 0.58 -1.24 0.00 0.00 -2.89 0.00 0.00 54.13 50.58 1wic s LEU 11 Cb -0.12 -0.35 0.00 0.00 0.66 0.00 0.00 46.19 46.38 1wic s LEU 11 CO 0.28 -0.50 0.00 -1.20 -1.89 0.00 0.00 176.35 173.04 1wic n SER 12 N -0.49 -6.38 -4.07 3.68 7.64 -1.26 -4.51 113.62 108.22 1wic n SER 12 Ca -0.05 0.92 -0.17 0.00 1.01 0.00 0.00 58.87 60.58 1wic n SER 12 Cb 0.64 -3.14 -0.13 0.00 -1.01 0.00 0.00 64.21 60.57 1wic n SER 12 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wic s VAL 13 N -3.16 0.77 -0.72 0.44 -7.23 -1.26 -2.37 120.40 106.88 1wic s VAL 13 Ca 0.00 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.06 1wic s VAL 13 Cb 0.00 -0.73 -0.00 0.00 0.56 0.00 0.00 36.38 36.21 1wic s VAL 13 CO 0.00 -0.09 1.67 0.12 -0.31 0.00 0.00 175.10 176.49 1wic s PHE 14 N -0.85 1.92 -0.62 2.82 5.36 0.21 -4.73 117.98 122.09 1wic s PHE 14 Ca -0.02 0.41 -0.10 0.00 -0.96 0.00 0.00 56.93 56.26 1wic s PHE 14 Cb -0.07 -4.28 -0.09 0.00 -0.34 0.00 0.00 43.02 38.24 1wic s PHE 14 CO 0.01 -2.15 1.79 1.63 -1.46 0.00 0.00 175.22 175.04 1wic n LYS 15 N 9.18 1.36 -0.93 10.12 4.76 -1.26 -1.05 118.16 140.34 1wic n LYS 15 Ca 0.19 -1.31 -0.36 0.00 -2.87 0.00 0.00 58.31 53.97 1wic n LYS 15 Cb 0.50 -2.46 0.07 0.00 -1.84 0.00 0.00 35.03 31.30 1wic n LYS 15 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wic n GLY 16 N 4.08 -3.59 0.21 0.72 0.00 -1.24 -4.84 105.19 100.53 1wic n GLY 16 Ca 0.36 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1wic n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic h PRO 17 N -1.22 0.00 0.00 1.61 0.13 -1.99 -3.41 132.00 127.12 1wic h PRO 17 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wic h PRO 17 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wic h PRO 17 CO 0.26 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.31 1wic n LEU 18 N -2.87 0.40 -4.35 1.56 4.77 -1.26 -4.91 117.00 110.34 1wic n LEU 18 Ca 0.03 0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.86 1wic n LEU 18 Cb 0.39 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1wic n LEU 18 CO 0.29 -0.68 -0.44 -0.22 -1.33 0.00 0.00 177.39 175.01 1wic s LEU 19 N -6.31 2.73 -0.04 2.23 1.98 -1.26 -2.77 118.68 115.23 1wic s LEU 19 Ca 0.00 -0.35 -0.25 0.00 -2.89 0.00 0.00 54.13 50.65 1wic s LEU 19 Cb 0.00 -1.63 -0.04 0.00 0.66 0.00 0.00 46.19 45.19 1wic s LEU 19 CO 0.00 0.13 0.75 -1.00 -1.89 0.00 0.00 176.35 174.34 1wic s HIS 20 N 0.54 3.61 0.03 5.38 3.76 0.16 -3.70 115.29 125.06 1wic s HIS 20 Ca -0.08 1.34 -0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1wic s HIS 20 Cb -0.16 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 1wic s HIS 20 CO 0.04 0.10 0.14 0.42 -0.85 0.00 0.00 174.74 174.58 1wic s ILE 21 N 0.72 5.02 -0.11 0.60 1.01 -0.22 0.14 121.20 128.37 1wic s ILE 21 Ca 0.40 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 1wic s ILE 21 Cb -0.19 -3.37 0.05 0.00 0.01 0.00 0.00 42.46 38.97 1wic s ILE 21 CO 0.20 0.25 0.25 -0.55 0.00 0.00 0.00 174.94 175.09 1wic s SER 22 N -2.09 -0.15 1.10 3.58 0.15 0.20 0.68 113.70 117.17 1wic s SER 22 Ca 0.28 0.54 -0.16 0.00 0.70 0.00 0.00 55.95 57.32 1wic s SER 22 Cb -0.12 0.47 0.22 0.00 -1.71 0.00 0.00 66.02 64.87 1wic s SER 22 CO 0.20 -0.18 1.01 -0.81 1.20 0.00 0.00 173.24 174.66 1wic n PRO 23 N 4.45 -1.92 0.00 5.44 -0.04 -1.26 0.15 135.00 141.81 1wic n PRO 23 Ca -0.22 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1wic n PRO 23 Cb 0.52 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -4.13 -0.18 -3.04 0.55 0.00 -1.00 -4.49 120.51 108.22 1wic n ALA 24 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1wic n ALA 24 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.18 0.96 -3.27 0.00 0.28 -1.26 -4.66 120.64 111.51 1wic n GLU 25 Ca 0.00 -2.89 -0.05 0.00 -0.16 0.00 0.00 57.16 54.06 1wic n GLU 25 Cb 0.00 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.36 1wic n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wic s GLU 26 N -1.44 0.45 -0.37 3.44 2.02 -1.25 -4.15 118.70 117.39 1wic s GLU 26 Ca 0.34 0.35 -0.11 0.00 0.02 0.00 0.00 54.97 55.57 1wic s GLU 26 Cb 0.32 -0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.42 1wic s GLU 26 CO -0.08 -0.94 0.21 -0.51 0.02 0.00 0.00 175.26 173.96 1wic s LEU 27 N 2.63 4.72 -0.76 1.80 2.01 0.16 -4.69 118.68 124.53 1wic s LEU 27 Ca 0.11 -0.97 -0.16 0.00 0.01 0.00 0.00 54.13 53.12 1wic s LEU 27 Cb -0.13 -2.03 0.16 0.00 0.01 0.00 0.00 46.19 44.21 1wic s LEU 27 CO -0.26 -0.38 0.80 -0.31 1.01 0.00 0.00 176.35 177.21 1wic s TYR 28 N 1.56 3.39 -0.85 0.29 1.51 -1.26 0.14 117.35 122.13 1wic s TYR 28 Ca 0.02 -1.55 -0.22 0.00 -1.01 0.00 0.00 57.07 54.32 1wic s TYR 28 Cb -0.19 -3.96 0.09 0.00 -0.11 0.00 0.00 41.96 37.78 1wic s TYR 28 CO 0.07 -1.17 1.16 -0.06 -1.11 0.00 0.00 175.55 174.44 1wic s PHE 29 N 1.45 2.77 0.00 2.71 0.08 -1.26 -4.69 117.98 119.04 1wic s PHE 29 Ca 0.18 -0.88 0.00 0.00 0.12 0.00 0.00 56.93 56.35 1wic s PHE 29 Cb -0.14 -4.41 0.00 0.00 -0.57 0.00 0.00 43.02 37.90 1wic s PHE 29 CO -0.04 -1.69 0.00 0.41 -0.10 0.00 0.00 175.22 173.79 1wic n GLY 30 N 5.73 2.79 3.68 4.36 0.00 -1.26 -4.76 105.19 115.73 1wic n GLY 30 Ca 0.15 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 4.72 -0.15 1.61 0.01 -1.26 -4.97 113.70 113.66 1wic s SER 31 Ca 0.00 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 1wic s SER 31 Cb 0.00 -0.92 -0.08 0.00 0.21 0.00 0.00 66.02 65.23 1wic s SER 31 CO 0.00 -0.04 2.11 2.30 0.41 0.00 0.00 173.24 178.02 1wic n ILE 32 N -0.97 0.47 -4.09 1.44 -6.64 -1.26 -2.54 119.36 105.77 1wic n ILE 32 Ca -0.06 -0.30 -0.42 0.00 -1.77 0.00 0.00 62.75 60.20 1wic n ILE 32 Cb 0.59 -2.30 0.00 0.00 -1.44 0.00 0.00 39.64 36.50 1wic n ILE 32 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 1wic n GLU 33 N 8.07 -0.36 -0.02 6.28 0.28 -1.26 -4.83 120.64 128.81 1wic n GLU 33 Ca 0.28 0.02 0.02 0.00 -0.16 0.00 0.00 57.16 57.31 1wic n GLU 33 Cb 0.39 -2.33 -0.08 0.00 1.43 0.00 0.00 31.44 30.85 1wic n GLU 33 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wic n SER 34 N -1.99 2.55 0.00 -1.84 2.88 -1.05 -5.09 113.62 109.07 1wic n SER 34 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1wic n SER 34 Cb 0.53 1.23 0.00 0.00 -0.75 0.00 0.00 64.21 65.23 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 2.06 1.23 3.47 0.46 0.00 -1.26 -4.93 105.19 106.22 1wic n GLY 35 Ca -0.07 -0.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.48 1wic n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wic n GLU 36 N 2.63 1.00 -1.38 1.61 4.71 -1.26 -4.78 120.64 123.17 1wic n GLU 36 Ca 0.00 0.30 -0.39 0.00 -0.01 0.00 0.00 57.16 57.06 1wic n GLU 36 Cb 0.00 -2.30 -0.02 0.00 -1.01 0.00 0.00 31.44 28.11 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1wic n LYS 37 N 7.62 3.40 -5.07 3.49 5.02 -1.26 -4.84 118.16 126.52 1wic n LYS 37 Ca 0.40 -2.25 -0.32 0.00 -2.02 0.00 0.00 58.31 54.12 1wic n LYS 37 Cb 0.18 -2.90 -0.14 0.00 -0.02 0.00 0.00 35.03 32.15 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 2.51 2.34 0.20 1.97 0.00 -1.26 -4.28 119.74 121.22 1wic s LYS 38 Ca 0.63 -0.80 0.04 0.00 0.00 0.00 0.00 55.97 55.85 1wic s LYS 38 Cb 0.17 -2.23 -0.03 0.00 0.00 0.00 0.00 37.83 35.73 1wic s LYS 38 CO -0.06 0.59 0.30 -0.08 0.00 0.00 0.00 175.35 176.10 1wic s THR 39 N -0.67 5.15 -0.10 3.79 -1.32 -0.42 -4.86 115.64 117.22 1wic s THR 39 Ca 0.11 -0.93 -0.01 0.00 -1.21 0.00 0.00 61.69 59.65 1wic s THR 39 Cb -0.10 -3.74 0.03 0.00 -1.51 0.00 0.00 72.50 67.18 1wic s THR 39 CO -0.00 -0.24 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.91 1wic s LEU 40 N -3.65 0.95 0.48 9.08 2.96 -1.26 0.23 118.68 127.46 1wic s LEU 40 Ca 0.34 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1wic s LEU 40 Cb -0.10 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1wic s LEU 40 CO 0.28 -0.16 0.75 -0.63 -1.32 0.00 0.00 176.35 175.28 1wic s ILE 41 N 1.82 4.50 -0.03 6.68 1.01 0.10 -4.70 121.20 130.58 1wic s ILE 41 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1wic s ILE 41 Cb -0.13 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1wic s ILE 41 CO -0.07 -0.63 -0.03 -0.69 0.00 0.00 0.00 174.94 173.52 1wic s VAL 42 N -2.70 0.41 -0.34 2.92 1.01 0.39 -0.51 120.40 121.58 1wic s VAL 42 Ca 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1wic s VAL 42 Cb -0.10 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 35.90 1wic s VAL 42 CO 0.42 0.18 0.09 -0.76 0.00 0.00 0.00 175.10 175.03 1wic s LEU 43 N 0.73 4.41 -0.42 3.92 1.43 -1.07 0.59 118.68 128.27 1wic s LEU 43 Ca -0.09 -1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 51.36 1wic s LEU 43 Cb -0.12 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1wic s LEU 43 CO -0.00 -0.36 0.61 -0.89 0.23 0.00 0.00 176.35 175.94 1wic s THR 44 N 1.26 4.87 -0.76 5.49 2.01 0.38 -1.91 115.64 126.99 1wic s THR 44 Ca -0.00 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 1wic s THR 44 Cb -0.21 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.16 1wic s THR 44 CO -0.01 -0.52 1.51 0.21 -0.69 0.00 0.00 174.62 175.13 1wic s ASN 45 N 1.94 5.89 0.21 3.53 3.84 -0.77 0.37 114.94 129.95 1wic s ASN 45 Ca 0.21 -0.39 0.12 0.00 0.21 0.00 0.00 52.86 53.02 1wic s ASN 45 Cb -0.15 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 1wic s ASN 45 CO 0.18 -2.01 1.36 -0.37 -2.79 0.00 0.00 177.10 173.46 1wic h VAL 46 N 6.46 1.14 -4.14 -5.21 -1.51 -1.85 -0.48 116.25 110.67 1wic h VAL 46 Ca -0.18 -2.63 -0.49 0.00 -1.23 0.00 0.00 66.70 62.17 1wic h VAL 46 Cb 1.07 2.56 0.15 0.00 -2.13 0.00 0.00 31.29 32.93 1wic h VAL 46 CO 1.28 0.65 0.26 0.42 -1.23 0.00 0.00 177.57 178.95 1wic s THR 47 N -2.87 2.83 -0.28 7.19 -4.23 -1.12 -4.82 115.64 112.34 1wic s THR 47 Ca 0.03 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1wic s THR 47 Cb 0.08 -2.71 0.41 0.00 1.34 0.00 0.00 72.50 71.63 1wic s THR 47 CO 0.77 -0.35 1.56 1.17 -0.54 0.00 0.00 174.62 177.23 1wic n LYS 48 N -3.82 1.80 -3.59 3.99 3.00 -1.26 -4.13 118.16 114.16 1wic n LYS 48 Ca 0.08 -1.85 -0.12 0.00 -0.00 0.00 0.00 58.31 56.42 1wic n LYS 48 Cb 0.54 -1.73 -0.05 0.00 0.00 0.00 0.00 35.03 33.80 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1wic s ASN 49 N -0.41 -0.35 0.54 3.14 0.01 -1.26 -4.90 114.94 111.70 1wic s ASN 49 Ca 0.35 -0.06 -0.22 0.00 -0.71 0.00 0.00 52.86 52.22 1wic s ASN 49 Cb 0.29 0.49 -0.05 0.00 0.41 0.00 0.00 41.25 42.38 1wic s ASN 49 CO 0.07 -0.79 1.28 -0.38 -1.51 0.00 0.00 177.10 175.77 1wic n ILE 50 N 0.09 3.66 -4.03 0.60 5.41 -1.26 -4.09 119.36 119.76 1wic n ILE 50 Ca -0.17 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.76 1wic n ILE 50 Cb 0.62 -1.55 -0.15 0.00 -0.71 0.00 0.00 39.64 37.85 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 -1.31 2.10 -0.52 1.39 1.01 0.81 0.12 120.40 123.99 1wic s VAL 51 Ca 0.71 -1.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1wic s VAL 51 Cb -0.43 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1wic s VAL 51 CO 0.50 -0.26 1.63 0.00 0.00 0.00 0.00 175.10 176.96 1wic s ALA 52 N 1.08 2.64 0.29 5.51 0.00 0.59 -1.58 121.76 130.30 1wic s ALA 52 Ca -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.57 1wic s ALA 52 Cb -0.19 -4.14 -0.03 0.00 0.00 0.00 0.00 23.12 18.76 1wic s ALA 52 CO -0.07 -3.14 0.29 -0.59 0.00 0.00 0.00 175.76 172.25 1wic s PHE 53 N 7.11 3.07 -0.16 0.00 -0.71 -0.06 -1.22 117.98 126.01 1wic s PHE 53 Ca 0.63 -0.19 -0.10 0.00 -1.04 0.00 0.00 56.93 56.22 1wic s PHE 53 Cb -0.14 -1.66 0.05 0.00 -1.21 0.00 0.00 43.02 40.07 1wic s PHE 53 CO 0.26 0.31 0.39 0.15 -1.34 0.00 0.00 175.22 174.98 1wic s LYS 54 N -3.96 0.40 -0.24 1.99 1.02 -0.67 -2.76 119.74 115.52 1wic s LYS 54 Ca 0.38 0.69 -0.14 0.00 0.02 0.00 0.00 55.97 56.91 1wic s LYS 54 Cb -0.07 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1wic s LYS 54 CO 0.27 -0.12 0.32 0.08 -0.92 0.00 0.00 175.35 174.97 1wic s VAL 55 N 1.00 5.24 -0.04 3.17 1.01 0.10 0.14 120.40 131.01 1wic s VAL 55 Ca -0.06 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1wic s VAL 55 Cb -0.07 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1wic s VAL 55 CO -0.08 0.24 -0.06 -0.13 0.00 0.00 0.00 175.10 175.08 1wic s ARG 56 N 1.53 0.85 0.31 2.72 3.00 0.45 -4.87 118.95 122.93 1wic s ARG 56 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 55.73 55.75 1wic s ARG 56 Cb -0.15 -0.82 -0.06 0.00 0.00 0.00 0.00 34.95 33.92 1wic s ARG 56 CO 0.08 -0.02 0.05 -0.08 0.00 0.00 0.00 175.30 175.33 1wic s THR 57 N 0.68 1.13 -0.47 0.02 -1.32 -1.26 0.20 115.64 114.62 1wic s THR 57 Ca -0.09 -2.01 0.05 0.00 -1.21 0.00 0.00 61.69 58.43 1wic s THR 57 Cb -0.13 -2.74 0.37 0.00 -1.51 0.00 0.00 72.50 68.49 1wic s THR 57 CO 0.00 -0.03 1.24 0.35 -2.21 0.00 0.00 174.62 173.97 1wic n THR 58 N -0.64 1.62 -2.68 5.08 -2.24 -1.18 -4.29 114.28 109.95 1wic n THR 58 Ca -0.02 -0.77 -0.05 0.00 -2.27 0.00 0.00 64.05 60.94 1wic n THR 58 Cb 0.66 -0.54 0.05 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.06 -3.27 1.27 6.98 0.00 -1.26 -4.98 120.51 119.31 1wic n ALA 59 Ca 0.20 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1wic n ALA 59 Cb 0.85 -2.91 0.64 0.00 0.00 0.00 0.00 19.45 18.03 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 1.99 0.52 -0.67 0.00 -0.04 -1.26 -2.34 135.00 133.19 1wic n PRO 60 Ca 0.07 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1wic n PRO 60 Cb 0.67 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.16 3.13 0.00 0.54 0.28 -1.26 -4.52 120.64 117.66 1wic n GLU 61 Ca 0.14 -2.99 0.00 0.00 -0.16 0.00 0.00 57.16 54.15 1wic n GLU 61 Cb 0.14 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.04 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 -0.42 0.00 -4.12 3.44 5.02 -1.00 -5.03 118.16 116.06 1wic n LYS 62 Ca 0.28 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.22 1wic n LYS 62 Cb 1.05 -0.23 -0.09 0.00 -0.02 0.00 0.00 35.03 35.75 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 -1.68 3.30 -0.33 2.13 2.02 -0.99 -0.22 117.35 121.59 1wic s TYR 63 Ca 0.00 0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.79 1wic s TYR 63 Cb 0.00 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1wic s TYR 63 CO 0.00 0.42 0.33 1.03 -1.57 0.00 0.00 175.55 175.77 1wic s ARG 64 N -0.47 3.66 -0.22 -0.62 3.00 0.53 -4.69 118.95 120.14 1wic s ARG 64 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 55.73 55.46 1wic s ARG 64 Cb -0.12 -3.77 0.03 0.00 0.00 0.00 0.00 34.95 31.09 1wic s ARG 64 CO 0.02 -0.45 -0.12 0.14 0.00 0.00 0.00 175.30 174.90 1wic s VAL 65 N 1.97 2.49 -0.16 3.52 -7.23 -1.26 -0.50 120.40 119.23 1wic s VAL 65 Ca 0.11 -1.07 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 1wic s VAL 65 Cb -0.16 -2.22 0.06 0.00 0.56 0.00 0.00 36.38 34.62 1wic s VAL 65 CO 0.11 0.30 0.37 -0.75 -0.31 0.00 0.00 175.10 174.81 1wic s LYS 66 N 1.28 0.32 0.63 4.82 2.36 -0.95 -3.41 119.74 124.79 1wic s LYS 66 Ca 0.01 0.80 -0.13 0.00 -2.55 0.00 0.00 55.97 54.09 1wic s LYS 66 Cb -0.16 0.04 -0.02 0.00 -1.05 0.00 0.00 37.83 36.64 1wic s LYS 66 CO -0.08 -0.20 1.05 -1.25 1.55 0.00 0.00 175.35 176.43 1wic s PRO 67 N 1.77 3.19 -0.03 4.03 0.04 -1.25 -1.33 135.00 141.42 1wic s PRO 67 Ca -0.06 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.12 1wic s PRO 67 Cb -0.10 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1wic s PRO 67 CO -0.12 -0.90 0.10 -1.13 0.04 0.00 0.00 177.00 175.00 1wic n SER 68 N -2.50 3.30 -3.62 6.66 3.41 -1.22 -4.76 113.62 114.88 1wic n SER 68 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.40 1wic n SER 68 Cb 0.53 1.05 -0.14 0.00 -0.26 0.00 0.00 64.21 65.39 1wic n SER 68 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1wic s ASN 69 N -3.28 3.65 0.33 4.04 -0.87 -1.26 0.02 114.94 117.56 1wic s ASN 69 Ca -0.03 -1.73 -0.16 0.00 -1.57 0.00 0.00 52.86 49.37 1wic s ASN 69 Cb 0.04 -0.64 0.06 0.00 -0.02 0.00 0.00 41.25 40.69 1wic s ASN 69 CO 0.30 -0.39 0.83 -0.24 -2.57 0.00 0.00 177.10 175.03 1wic n SER 70 N 4.70 -2.08 -4.24 -1.22 2.88 -1.11 -4.97 113.62 107.58 1wic n SER 70 Ca 0.00 -2.36 -0.18 0.00 -1.33 0.00 0.00 58.87 55.01 1wic n SER 70 Cb 0.40 3.44 -0.11 0.00 -0.75 0.00 0.00 64.21 67.19 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wic s SER 71 N -3.10 1.97 -0.09 -3.46 0.15 -1.26 -0.88 113.70 107.02 1wic s SER 71 Ca 0.17 -0.81 0.02 0.00 0.70 0.00 0.00 55.95 56.03 1wic s SER 71 Cb -0.04 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1wic s SER 71 CO 0.10 -0.15 -0.16 0.00 1.20 0.00 0.00 173.24 174.23 1wic s ASP 73 N -0.05 4.37 0.18 0.00 1.47 -1.26 -0.13 116.67 121.25 1wic s ASP 73 Ca -0.04 1.54 -0.30 0.00 1.18 0.00 0.00 52.55 54.93 1wic s ASP 73 Cb -0.14 -2.28 -0.08 0.00 -0.34 0.00 0.00 42.92 40.09 1wic s ASP 73 CO 0.04 -2.08 1.12 -2.16 0.68 0.00 0.00 175.17 172.77 1wic s PRO 74 N -5.01 4.57 -0.14 2.11 0.04 -1.26 -2.81 135.00 132.50 1wic s PRO 74 Ca 0.61 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1wic s PRO 74 Cb -0.16 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1wic s PRO 74 CO 0.56 0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.05 1wic n GLY 75 N 2.06 0.51 3.32 0.56 0.00 -0.19 -4.96 105.19 106.49 1wic n GLY 75 Ca 0.03 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 1.02 0.45 -3.17 4.61 0.00 -1.12 -4.98 120.51 117.33 1wic n ALA 76 Ca -0.01 -2.07 -0.13 0.00 0.00 0.00 0.00 53.44 51.23 1wic n ALA 76 Cb 0.09 1.22 -0.13 0.00 0.00 0.00 0.00 19.45 20.64 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 -3.52 -0.16 0.42 0.00 1.04 -1.26 -1.84 113.70 108.37 1wic s SER 77 Ca 0.07 0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.91 1wic s SER 77 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1wic s SER 77 CO 0.05 -0.07 0.45 -0.51 0.98 0.00 0.00 173.24 174.14 1wic s ILE 78 N 0.29 2.76 -0.09 -1.02 2.07 -0.80 -4.90 121.20 119.50 1wic s ILE 78 Ca -0.02 -1.22 -0.00 0.00 -1.41 0.00 0.00 60.65 58.00 1wic s ILE 78 Cb -0.03 -2.98 0.02 0.00 0.13 0.00 0.00 42.46 39.61 1wic s ILE 78 CO -0.01 0.00 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.14 1wic s ASP 79 N -4.22 1.87 -0.43 4.50 1.11 -1.26 -2.58 116.67 115.67 1wic s ASP 79 Ca 0.51 -0.24 0.01 0.00 0.18 0.00 0.00 52.55 53.00 1wic s ASP 79 Cb -0.06 -0.72 0.12 0.00 1.07 0.00 0.00 42.92 43.33 1wic s ASP 79 CO 0.30 -0.10 0.18 -0.63 1.18 0.00 0.00 175.17 176.10 1wic s ILE 80 N 1.51 2.85 -0.14 0.77 -1.09 0.33 -3.96 121.20 121.47 1wic s ILE 80 Ca 0.00 -2.47 -0.29 0.00 -2.23 0.00 0.00 60.65 55.66 1wic s ILE 80 Cb -0.13 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1wic s ILE 80 CO -0.05 -0.70 1.33 -0.63 -1.23 0.00 0.00 174.94 173.66 1wic s ILE 81 N 0.68 4.16 -0.48 2.92 1.09 -0.44 0.02 121.20 129.15 1wic s ILE 81 Ca 0.12 1.41 -0.04 0.00 -1.10 0.00 0.00 60.65 61.03 1wic s ILE 81 Cb -0.21 -3.91 0.13 0.00 -1.06 0.00 0.00 42.46 37.41 1wic s ILE 81 CO -0.05 -0.12 0.30 -0.69 -0.10 0.00 0.00 174.94 174.28 1wic s VAL 82 N 3.54 3.60 -0.17 2.92 1.01 0.61 -2.24 120.40 129.67 1wic s VAL 82 Ca 0.58 -2.26 -0.03 0.00 0.00 0.00 0.00 61.98 60.27 1wic s VAL 82 Cb -0.24 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1wic s VAL 82 CO 0.17 -0.76 -0.04 -0.55 0.00 0.00 0.00 175.10 173.92 1wic s SER 83 N 1.68 4.58 1.12 3.32 0.15 0.35 -1.29 113.70 123.61 1wic s SER 83 Ca 0.10 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 1wic s SER 83 Cb -0.22 -1.76 0.27 0.00 -1.71 0.00 0.00 66.02 62.59 1wic s SER 83 CO -0.03 0.11 1.24 -2.16 1.20 0.00 0.00 173.24 173.59 1wic s PRO 84 N 0.72 -0.60 0.00 5.44 0.04 -1.26 0.20 135.00 139.55 1wic s PRO 84 Ca -0.02 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1wic s PRO 84 Cb -0.15 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1wic s PRO 84 CO 0.02 -3.25 0.00 1.58 0.04 0.00 0.00 177.00 175.40 1wic n HIS 85 N -4.36 -0.98 -2.56 0.56 -0.00 0.69 -4.67 115.22 103.91 1wic n HIS 85 Ca 0.16 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.16 1wic n HIS 85 Cb 0.59 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.48 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 0.00 3.88 0.00 1.57 0.00 -1.26 -4.86 105.19 104.52 1wic n GLY 86 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.30 -1.62 0.97 -0.02 0.00 -1.26 -5.15 105.19 97.81 1wic n GLY 87 Ca 0.25 0.55 -0.09 0.00 0.00 0.00 0.00 46.02 46.72 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 0.00 0.00 -4.63 0.99 -0.00 -1.26 -5.07 117.00 107.03 1wic n LEU 88 Ca 0.00 -0.30 -0.29 0.00 -0.00 0.00 0.00 56.01 55.43 1wic n LEU 88 Cb 0.00 -0.29 -0.08 0.00 -0.00 0.00 0.00 43.42 43.04 1wic n LEU 88 CO 0.00 -1.62 -0.24 0.28 -0.00 0.00 0.00 177.39 175.81 1wic s THR 89 N -1.45 1.02 -2.46 1.47 -1.32 -1.26 -4.84 115.64 106.80 1wic s THR 89 Ca 0.20 -2.00 0.22 0.00 -1.21 0.00 0.00 61.69 58.90 1wic s THR 89 Cb -0.03 -2.36 0.10 0.00 -1.51 0.00 0.00 72.50 68.69 1wic s THR 89 CO 0.16 0.00 1.15 1.33 -2.21 0.00 0.00 174.62 175.05 1wic n VAL 90 N -1.05 0.00 0.00 5.08 0.24 -1.26 -4.97 118.33 116.37 1wic n VAL 90 Ca -0.11 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1wic n VAL 90 Cb 0.66 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.41 1wic n VAL 90 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wic n SER 91 N 0.70 0.00 -0.79 -1.34 7.64 -1.26 -4.06 113.62 114.52 1wic n SER 91 Ca 0.11 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.03 1wic n SER 91 Cb 0.52 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 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 2.76 2.32 -0.04 -0.43 0.00 -1.26 -4.76 120.51 119.11 1wic n ALA 92 Ca 0.00 -1.89 -0.03 0.00 0.00 0.00 0.00 53.44 51.52 1wic n ALA 92 Cb 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.13 2.19 -2.18 0.00 1.13 -1.26 -4.98 117.38 112.15 1wic n GLN 93 Ca 0.06 -0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.73 1wic n GLN 93 Cb 0.84 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.97 1wic n GLN 93 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wic s ASP 94 N -3.93 5.93 0.01 1.08 2.15 -1.26 -5.04 116.67 115.61 1wic s ASP 94 Ca -0.04 2.35 0.02 0.00 0.43 0.00 0.00 52.55 55.31 1wic s ASP 94 Cb 0.03 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1wic s ASP 94 CO 0.37 -1.09 -0.07 -0.60 -0.17 0.00 0.00 175.17 173.61 1wic s ARG 95 N -2.84 0.53 -0.31 4.34 6.06 -1.26 -4.55 118.95 120.92 1wic s ARG 95 Ca 0.67 -0.36 -0.06 0.00 -2.50 0.00 0.00 55.73 53.48 1wic s ARG 95 Cb -0.30 -0.48 0.02 0.00 0.06 0.00 0.00 34.95 34.26 1wic s ARG 95 CO 0.35 0.12 0.07 -0.06 -2.50 0.00 0.00 175.30 173.29 1wic s PHE 96 N -0.43 3.19 -0.14 5.12 0.08 -1.09 -3.11 117.98 121.60 1wic s PHE 96 Ca -0.00 -1.24 -0.08 0.00 0.12 0.00 0.00 56.93 55.74 1wic s PHE 96 Cb -0.04 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 1wic s PHE 96 CO -0.00 -0.66 0.14 -1.17 -0.10 0.00 0.00 175.22 173.43 1wic s LEU 97 N 1.44 4.35 -0.11 -0.37 2.96 0.54 0.20 118.68 127.69 1wic s LEU 97 Ca 0.00 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1wic s LEU 97 Cb -0.18 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.47 1wic s LEU 97 CO 0.02 0.36 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.75 1wic s ILE 98 N -0.73 0.72 0.45 6.68 1.01 0.31 0.17 121.20 129.81 1wic s ILE 98 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1wic s ILE 98 Cb -0.12 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1wic s ILE 98 CO 0.03 0.24 0.72 -0.04 0.00 0.00 0.00 174.94 175.89 1wic s MET 99 N 1.82 3.40 -0.30 2.79 -1.94 0.36 -0.64 119.30 124.80 1wic s MET 99 Ca 0.04 -0.05 -0.10 0.00 -1.71 0.00 0.00 55.69 53.87 1wic s MET 99 Cb -0.13 -2.47 0.16 0.00 2.01 0.00 0.00 34.83 34.40 1wic s MET 99 CO -0.07 -0.17 0.77 0.00 -0.01 0.00 0.00 175.02 175.54 1wic s ALA 100 N -2.63 -2.38 -0.05 3.03 0.00 0.16 -1.66 121.76 118.22 1wic s ALA 100 Ca 0.46 2.10 0.03 0.00 0.00 0.00 0.00 51.96 54.55 1wic s ALA 100 Cb -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1wic s ALA 100 CO 0.42 -1.06 -0.15 0.00 0.00 0.00 0.00 175.76 174.97 1wic s ALA 101 N 2.77 1.44 -0.31 0.00 0.00 -0.36 0.23 121.76 125.53 1wic s ALA 101 Ca 0.01 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 1wic s ALA 101 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1wic s ALA 101 CO -0.18 0.21 1.70 -2.00 0.00 0.00 0.00 175.76 175.49 1wic s GLU 102 N 0.28 3.49 0.73 0.00 2.12 -1.26 -0.30 118.70 123.76 1wic s GLU 102 Ca -0.09 1.42 -0.07 0.00 0.36 0.00 0.00 54.97 56.60 1wic s GLU 102 Cb -0.13 -4.13 0.08 0.00 0.26 0.00 0.00 34.13 30.21 1wic s GLU 102 CO 0.03 -1.67 1.04 -1.64 -0.54 0.00 0.00 175.26 172.49 1wic s MET 103 N 5.30 1.97 0.00 4.30 -1.94 0.32 -4.95 119.30 124.30 1wic s MET 103 Ca 0.75 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.36 1wic s MET 103 Cb -0.22 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1wic s MET 103 CO 0.33 -1.38 0.00 0.39 -0.01 0.00 0.00 175.02 174.34 1wic n GLU 104 N -2.99 3.30 0.00 2.03 1.02 -1.26 -4.26 120.64 118.48 1wic n GLU 104 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 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 1.61 -1.53 3.49 10.64 -1.26 -4.00 117.38 126.33 1wic n GLN 105 Ca 0.00 0.00 -0.47 0.00 -1.83 0.00 0.00 57.00 54.70 1wic n GLN 105 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 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 0.00 2.74 -4.66 2.61 7.64 -1.26 -4.75 113.62 115.94 1wic n SER 106 Ca 0.00 0.37 -0.24 0.00 1.01 0.00 0.00 58.87 60.01 1wic n SER 106 Cb 0.00 -1.40 -0.07 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 7.47 4.68 0.43 6.43 0.01 -1.26 -4.99 113.70 126.46 1wic s SER 107 Ca 1.04 -0.53 0.26 0.00 1.31 0.00 0.00 55.95 58.04 1wic s SER 107 Cb -0.62 -0.94 1.44 0.00 0.21 0.00 0.00 66.02 66.12 1wic s SER 107 CO 0.43 0.03 1.80 1.23 0.41 0.00 0.00 173.24 177.14 1wic h GLY 108 N 2.17 0.00 -6.80 3.44 0.00 -1.98 -3.45 103.07 96.46 1wic h GLY 108 Ca -0.46 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 1wic h GLY 108 CO 0.59 0.00 -0.83 -1.30 0.00 0.00 0.00 176.54 175.00 1wic n THR 109 N -2.46 -0.98 -3.76 4.70 -2.24 -1.26 -4.90 114.28 103.37 1wic n THR 109 Ca -0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1wic n THR 109 Cb 0.10 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.31 3.72 0.16 3.38 0.00 -1.26 -4.82 105.19 104.06 1wic n GLY 110 Ca -0.26 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.93 -2.70 132.00 129.11 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 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1wic n ALA 112 N -1.88 0.00 -0.32 -0.56 0.00 -1.26 -3.15 120.51 113.34 1wic n ALA 112 Ca 0.03 -0.11 0.18 0.00 0.00 0.00 0.00 53.44 53.54 1wic n ALA 112 Cb 0.36 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.95 -0.07 0.24 0.00 -0.58 -1.26 -0.37 120.64 116.65 1wic n GLU 113 Ca 0.00 1.37 -0.09 0.00 -0.42 0.00 0.00 57.16 58.02 1wic n GLU 113 Cb 0.00 -2.24 -0.04 0.00 -0.57 0.00 0.00 31.44 28.59 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 -0.51 -1.57 -4.62 3.38 -1.69 0.77 115.31 111.07 1wic h LEU 114 Ca 0.62 0.02 0.49 0.00 0.09 0.00 0.00 57.88 59.09 1wic h LEU 114 Cb 1.38 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 42.17 1wic h LEU 114 CO -0.84 -0.34 1.09 -1.20 0.09 0.00 0.00 178.44 177.24 1wic n SER 115 N -3.78 0.08 0.01 -0.43 7.64 0.51 0.94 113.62 118.58 1wic n SER 115 Ca -0.08 1.06 -0.07 0.00 1.01 0.00 0.00 58.87 60.79 1wic n SER 115 Cb 0.24 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 1wic n SER 115 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1wic h GLN 116 N 0.00 -0.14 -0.78 1.43 1.08 -0.58 -2.79 115.11 113.33 1wic h GLN 116 Ca 0.83 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 58.18 1wic h GLN 116 Cb 3.08 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 30.48 1wic h GLN 116 CO -0.19 0.18 0.51 0.35 -0.95 0.00 0.00 178.83 178.73 1wic h PHE 117 N -0.99 0.61 0.00 2.96 3.57 0.30 1.20 116.94 124.59 1wic h PHE 117 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wic h PHE 117 Cb 0.38 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1wic h PHE 117 CO 0.07 0.25 0.00 -1.49 -2.23 0.00 0.00 178.31 174.91 1wic h TRP 118 N 0.54 0.00 0.00 0.41 4.06 0.15 1.47 115.95 122.58 1wic h TRP 118 Ca 0.38 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.23 1wic h TRP 118 Cb 0.71 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 1wic h TRP 118 CO -0.00 0.00 -1.43 1.17 -3.56 0.00 0.00 178.44 174.62 1wic n LYS 119 N -2.62 0.63 -0.09 0.49 0.00 0.38 -4.32 118.16 112.63 1wic n LYS 119 Ca 0.02 0.11 -0.22 0.00 0.00 0.00 0.00 58.31 58.22 1wic n LYS 119 Cb 0.32 -1.75 -0.12 0.00 0.00 0.00 0.00 35.03 33.48 1wic n LYS 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1wic n GLU 120 N -2.70 0.66 -2.21 1.64 0.28 0.90 -4.87 120.64 114.33 1wic n GLU 120 Ca -0.07 0.27 -0.43 0.00 -0.16 0.00 0.00 57.16 56.78 1wic n GLU 120 Cb 0.72 -1.60 -0.02 0.00 1.43 0.00 0.00 31.44 31.96 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wic s VAL 121 N -2.51 3.90 0.89 3.84 0.11 0.50 -4.99 120.40 122.13 1wic s VAL 121 Ca -0.31 1.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.69 1wic s VAL 121 Cb 0.09 -3.76 0.12 0.00 -1.53 0.00 0.00 36.38 31.31 1wic s VAL 121 CO 0.63 -0.17 1.13 -2.16 -3.33 0.00 0.00 175.10 171.20 1wic s PRO 122 N 3.99 1.34 0.00 1.54 0.04 -1.26 -4.75 135.00 135.90 1wic s PRO 122 Ca 0.65 0.37 0.23 0.00 0.04 0.00 0.00 61.00 62.28 1wic s PRO 122 Cb -0.26 -1.86 1.36 0.00 0.04 0.00 0.00 34.50 33.78 1wic s PRO 122 CO 0.24 -2.08 1.78 2.89 0.04 0.00 0.00 177.00 179.87 1wic n ARG 123 N -3.70 0.84 -0.00 4.56 0.00 -1.26 -1.81 116.66 115.29 1wic n ARG 123 Ca 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.01 1wic n ARG 123 Cb 0.59 -1.42 -0.12 0.00 -0.00 0.00 0.00 32.46 31.50 1wic n ARG 123 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wic n ASN 124 N -0.92 0.81 -0.08 2.89 2.85 -1.26 -4.33 115.26 115.22 1wic n ASN 124 Ca 0.17 -0.72 -0.08 0.00 -0.11 0.00 0.00 54.58 53.84 1wic n ASN 124 Cb 0.08 1.21 -0.12 0.00 1.24 0.00 0.00 39.78 42.19 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wic n LYS 125 N -1.62 1.42 -3.10 1.20 4.76 -0.87 -4.94 118.16 115.02 1wic n LYS 125 Ca 0.02 -0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.06 1wic n LYS 125 Cb 0.35 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.38 4.94 0.25 -0.18 0.11 -0.75 -4.60 120.40 117.79 1wic s VAL 126 Ca -0.08 1.40 -0.30 0.00 -2.93 0.00 0.00 61.98 60.07 1wic s VAL 126 Cb 0.05 -4.01 -0.09 0.00 -1.53 0.00 0.00 36.38 30.80 1wic s VAL 126 CO 0.63 0.33 0.95 -0.32 -3.33 0.00 0.00 175.10 173.36 1wic s MET 127 N 0.28 4.83 -0.15 1.54 1.75 0.64 -4.82 119.30 123.36 1wic s MET 127 Ca 0.35 1.50 0.01 0.00 -1.25 0.00 0.00 55.69 56.30 1wic s MET 127 Cb -0.18 -3.24 0.02 0.00 2.84 0.00 0.00 34.83 34.26 1wic s MET 127 CO 0.18 0.48 -0.18 -1.21 -0.65 0.00 0.00 175.02 173.65 1wic s GLU 128 N -1.26 2.67 -0.07 4.11 2.02 -1.26 0.40 118.70 125.31 1wic s GLU 128 Ca 0.42 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.75 1wic s GLU 128 Cb -0.26 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 1wic s GLU 128 CO 0.32 -0.15 -0.23 -1.58 0.02 0.00 0.00 175.26 173.64 1wic s HIS 129 N 1.19 2.30 -0.12 1.61 2.46 0.19 -4.96 115.29 117.96 1wic s HIS 129 Ca 0.00 -0.77 -0.03 0.00 0.47 0.00 0.00 55.06 54.74 1wic s HIS 129 Cb -0.14 -1.53 -0.03 0.00 -0.13 0.00 0.00 32.58 30.75 1wic s HIS 129 CO -0.08 -0.27 -0.03 1.03 -2.47 0.00 0.00 174.74 172.91 1wic s ARG 130 N 0.06 3.36 0.29 2.88 3.00 -1.26 0.11 118.95 127.39 1wic s ARG 130 Ca -0.09 -0.50 0.07 0.00 0.00 0.00 0.00 55.73 55.22 1wic s ARG 130 Cb -0.15 -2.83 -0.03 0.00 0.00 0.00 0.00 34.95 31.94 1wic s ARG 130 CO 0.05 0.42 0.23 -0.51 0.00 0.00 0.00 175.30 175.49 1wic s LEU 131 N -0.12 3.69 0.09 2.53 1.43 0.55 -4.72 118.68 122.13 1wic s LEU 131 Ca 0.03 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1wic s LEU 131 Cb -0.13 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1wic s LEU 131 CO 0.02 -0.19 -0.14 0.00 0.23 0.00 0.00 176.35 176.28 1wic s ARG 132 N -3.91 0.90 -0.13 1.70 1.04 -1.26 -2.67 118.95 114.63 1wic s ARG 132 Ca 0.37 -1.10 -0.24 0.00 -1.04 0.00 0.00 55.73 53.72 1wic s ARG 132 Cb -0.07 -0.82 -0.03 0.00 -2.04 0.00 0.00 34.95 32.00 1wic s ARG 132 CO 0.25 0.17 0.76 0.00 -0.04 0.00 0.00 175.30 176.44 1wic n HIS 134 N 4.59 3.71 -1.54 0.00 -0.00 0.36 -4.78 115.22 117.56 1wic n HIS 134 Ca 0.02 -3.12 -0.63 0.00 0.46 0.00 0.00 57.72 54.45 1wic n HIS 134 Cb 0.50 -1.70 -0.10 0.00 -0.12 0.00 0.00 29.99 28.57 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 2.71 0.00 -2.80 3.57 -2.24 -1.26 -4.55 114.28 109.71 1wic n THR 135 Ca 0.30 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.88 1wic n THR 135 Cb 0.37 -0.48 0.06 0.00 -2.10 0.00 0.00 70.33 68.19 1wic n THR 135 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wic s VAL 136 N 3.66 2.37 0.27 2.28 -7.23 -1.26 -4.45 120.40 116.05 1wic s VAL 136 Ca 1.04 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1wic s VAL 136 Cb -1.43 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1wic s VAL 136 CO 0.74 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.74 1wic n GLU 137 N -2.40 -2.03 -4.44 4.82 2.13 -1.26 -4.89 120.64 112.57 1wic n GLU 137 Ca 0.13 1.42 -0.22 0.00 0.66 0.00 0.00 57.16 59.15 1wic n GLU 137 Cb 0.60 -2.52 -0.10 0.00 0.27 0.00 0.00 31.44 29.69 1wic n GLU 137 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1wic s SER 138 N -5.45 3.19 0.34 4.31 0.01 -1.26 -4.78 113.70 110.07 1wic s SER 138 Ca 0.00 -1.08 -0.29 0.00 1.31 0.00 0.00 55.95 55.89 1wic s SER 138 Cb 0.00 -0.24 -0.12 0.00 0.21 0.00 0.00 66.02 65.87 1wic s SER 138 CO 0.00 -0.12 1.43 -0.24 0.41 0.00 0.00 173.24 174.72 1wic n SER 139 N -0.57 3.38 -4.82 2.44 2.88 -1.26 -4.97 113.62 110.70 1wic n SER 139 Ca -0.06 1.20 -0.33 0.00 -1.33 0.00 0.00 58.87 58.35 1wic n SER 139 Cb 0.61 -1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 62.45 1wic n SER 139 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wic s LYS 140 N -1.69 4.20 -0.07 -1.46 2.47 -1.26 -5.01 119.74 116.93 1wic s LYS 140 Ca 0.56 1.02 -0.15 0.00 -1.56 0.00 0.00 55.97 55.84 1wic s LYS 140 Cb -0.52 -2.30 -0.11 0.00 -1.46 0.00 0.00 37.83 33.44 1wic s LYS 140 CO 0.60 0.05 0.60 -1.00 0.16 0.00 0.00 175.35 175.76 1wic h PRO 141 N 2.12 -0.22 -1.68 4.03 0.13 -2.09 -3.49 132.00 130.80 1wic h PRO 141 Ca -0.49 0.02 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 1wic h PRO 141 Cb 1.18 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 32.15 1wic h PRO 141 CO 0.62 0.10 0.63 1.21 -0.23 0.00 0.00 178.00 180.33 1wic s ASN 142 N -5.42 -0.28 0.31 1.44 3.84 -1.26 -5.18 114.94 108.38 1wic s ASN 142 Ca -0.09 0.18 0.10 0.00 0.21 0.00 0.00 52.86 53.25 1wic s ASN 142 Cb 0.00 0.26 -0.06 0.00 -0.55 0.00 0.00 41.25 40.90 1wic s ASN 142 CO 0.32 -0.36 -0.12 -0.55 -2.79 0.00 0.00 177.10 173.61 1wic s SER 143 N -1.68 3.46 0.26 -4.21 0.15 -1.26 -5.16 113.70 105.26 1wic s SER 143 Ca 0.03 -1.14 0.07 0.00 0.70 0.00 0.00 55.95 55.61 1wic s SER 143 Cb -0.01 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1wic s SER 143 CO -0.03 -0.16 -0.08 -1.48 1.20 0.00 0.00 173.24 172.68 1wic s LEU 144 N -3.54 2.49 0.48 3.45 2.34 -1.26 -5.06 118.68 117.59 1wic s LEU 144 Ca 0.31 -1.15 0.00 0.00 0.06 0.00 0.00 54.13 53.35 1wic s LEU 144 Cb 0.01 -0.64 0.00 0.00 -0.56 0.00 0.00 46.19 44.99 1wic s LEU 144 CO 0.15 -0.30 0.00 0.80 -1.06 0.00 0.00 176.35 175.94 1wic n MET 145 N -0.53 -4.76 -3.26 1.48 1.56 -1.26 -4.93 117.12 105.42 1wic n MET 145 Ca -0.06 3.51 -0.25 0.00 -0.27 0.00 0.00 57.70 60.63 1wic n MET 145 Cb 0.63 -3.92 -0.07 0.00 2.15 0.00 0.00 33.22 32.00 1wic n MET 145 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1wic n LEU 146 N -0.44 1.64 -3.99 -0.89 4.32 -1.26 -5.08 117.00 111.30 1wic n LEU 146 Ca 0.00 -5.01 -0.09 0.00 -0.02 0.00 0.00 56.01 50.88 1wic n LEU 146 Cb 0.00 0.14 -0.11 0.00 -1.62 0.00 0.00 43.42 41.83 1wic n LEU 146 CO 0.00 2.09 -0.36 -0.94 -1.22 0.00 0.00 177.39 176.95 1wic s SER 147 N -1.80 0.31 0.71 -1.43 1.04 -1.26 -5.16 113.70 106.11 1wic s SER 147 Ca 0.38 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1wic s SER 147 Cb 0.18 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1wic s SER 147 CO -0.07 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1wic n GLY 148 N 1.55 -2.99 0.12 7.32 0.00 -1.26 -4.98 105.19 104.94 1wic n GLY 148 Ca -0.24 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.17 0.00 1.61 0.13 -2.02 -3.47 132.00 128.08 1wic h PRO 149 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wic h PRO 149 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1wic h PRO 149 CO 0.00 0.25 0.00 0.45 -0.23 0.00 0.00 178.00 178.47 1wic n SER 150 N -4.87 0.00 0.19 1.44 2.88 -1.26 -3.31 113.62 108.69 1wic n SER 150 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wic n SER 150 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1wic n SER 150 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wic n SER 151 N 3.01 -2.97 0.00 -3.46 7.64 -1.26 -5.35 113.62 111.24 1wic n SER 151 Ca 0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1wic n SER 151 Cb 0.00 2.84 0.00 0.00 -1.01 0.00 0.00 64.21 66.04 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64