#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 6.99 0.07 1.61 0.01 -1.26 -4.99 113.70 116.13 1wic s SER 2 Ca 0.00 -2.86 0.07 0.00 1.31 0.00 0.00 55.95 54.47 1wic s SER 2 Cb 0.00 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1wic s SER 2 CO 0.00 -0.71 -0.14 -0.55 0.41 0.00 0.00 173.24 172.25 1wic s SER 3 N 2.65 4.09 0.00 2.44 0.15 -1.26 -5.03 113.70 116.74 1wic s SER 3 Ca 0.35 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wic s SER 3 Cb -0.05 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1wic s SER 3 CO -0.05 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1wic n GLY 4 N 1.14 2.61 3.67 9.45 0.00 -1.26 -5.01 105.19 115.79 1wic n GLY 4 Ca -0.15 -1.30 -0.48 0.00 0.00 0.00 0.00 46.02 44.09 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 3.07 -3.53 1.61 2.88 -1.26 -4.96 113.62 111.43 1wic n SER 5 Ca 0.00 1.05 -0.17 0.00 -1.33 0.00 0.00 58.87 58.42 1wic n SER 5 Cb 0.00 -1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 61.95 1wic n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wic s SER 6 N 2.02 1.08 0.00 -3.46 1.04 -1.26 -5.11 113.70 108.01 1wic s SER 6 Ca 0.85 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1wic s SER 6 Cb -0.72 0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1wic s SER 6 CO 0.44 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1wic n GLY 7 N 5.33 -2.42 3.73 7.32 0.00 -1.26 -4.90 105.19 112.99 1wic n GLY 7 Ca -0.05 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.00 4.44 0.65 1.61 2.20 -1.26 -5.02 119.74 119.35 1wic s LYS 8 Ca 0.00 0.91 -0.17 0.00 -0.36 0.00 0.00 55.97 56.35 1wic s LYS 8 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1wic s LYS 8 CO 0.00 0.16 0.84 1.63 -0.36 0.00 0.00 175.35 177.62 1wic n LYS 9 N 3.40 0.64 -2.41 4.03 4.01 -1.26 -4.88 118.16 121.69 1wic n LYS 9 Ca -0.02 0.26 -0.43 0.00 -0.51 0.00 0.00 58.31 57.61 1wic n LYS 9 Cb 0.51 -2.07 -0.02 0.00 -0.51 0.00 0.00 35.03 32.94 1wic n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wic s PRO 10 N -2.84 4.21 -0.89 1.97 0.04 -1.26 -4.96 135.00 131.27 1wic s PRO 10 Ca 0.73 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 63.24 1wic s PRO 10 Cb -0.39 -3.78 0.13 0.00 0.04 0.00 0.00 34.50 30.51 1wic s PRO 10 CO 0.50 -0.74 1.06 -0.51 0.04 0.00 0.00 177.00 177.35 1wic s LEU 11 N 3.58 5.19 0.54 -3.56 1.43 -1.26 -5.02 118.68 119.59 1wic s LEU 11 Ca 0.55 -2.01 -0.18 0.00 -1.03 0.00 0.00 54.13 51.47 1wic s LEU 11 Cb -0.22 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1wic s LEU 11 CO 0.16 -1.04 1.04 -0.44 0.23 0.00 0.00 176.35 176.29 1wic s SER 12 N 3.49 6.11 0.02 2.29 0.01 -1.26 -4.94 113.70 119.42 1wic s SER 12 Ca 0.30 1.84 0.04 0.00 1.31 0.00 0.00 55.95 59.44 1wic s SER 12 Cb -0.07 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1wic s SER 12 CO -0.07 -0.94 -0.13 0.68 0.41 0.00 0.00 173.24 173.18 1wic s VAL 13 N -2.26 1.06 -0.76 3.43 -7.23 -1.26 -0.91 120.40 112.46 1wic s VAL 13 Ca 0.65 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.72 1wic s VAL 13 Cb -0.16 -0.94 -0.00 0.00 0.56 0.00 0.00 36.38 35.84 1wic s VAL 13 CO 0.29 0.09 1.67 0.12 -0.31 0.00 0.00 175.10 176.96 1wic s PHE 14 N -0.67 1.97 -0.55 2.82 5.36 -0.19 -4.77 117.98 121.95 1wic s PHE 14 Ca 0.02 0.31 -0.27 0.00 -0.96 0.00 0.00 56.93 56.04 1wic s PHE 14 Cb -0.07 -4.30 -0.09 0.00 -0.34 0.00 0.00 43.02 38.22 1wic s PHE 14 CO 0.01 -2.08 2.45 1.63 -1.46 0.00 0.00 175.22 175.77 1wic n LYS 15 N 9.13 0.93 -3.14 10.12 4.01 -1.26 -2.91 118.16 135.03 1wic n LYS 15 Ca 0.22 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.73 1wic n LYS 15 Cb 0.50 -3.21 -0.03 0.00 -0.51 0.00 0.00 35.03 31.77 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 11.81 1.90 0.47 0.72 0.00 -1.26 -4.98 107.32 115.98 1wic s GLY 16 Ca 1.03 -0.41 0.27 0.00 0.00 0.00 0.00 44.72 45.61 1wic s GLY 16 CO 0.29 -0.26 1.77 -0.56 0.00 0.00 0.00 173.10 174.34 1wic h PRO 17 N 1.53 0.00 0.00 2.90 0.13 -1.99 -3.41 132.00 131.16 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 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 1wic n LEU 18 N -3.15 0.00 -4.50 1.56 4.77 -1.26 -4.67 117.00 109.75 1wic n LEU 18 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.44 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1wic n LEU 18 CO 0.32 -0.22 -0.39 -0.22 -1.33 0.00 0.00 177.39 175.55 1wic s LEU 19 N -3.37 3.05 0.57 2.23 1.98 -1.26 -2.64 118.68 119.24 1wic s LEU 19 Ca 0.00 -0.14 -0.14 0.00 -2.89 0.00 0.00 54.13 50.96 1wic s LEU 19 Cb 0.00 -1.69 -0.06 0.00 0.66 0.00 0.00 46.19 45.11 1wic s LEU 19 CO 0.00 0.26 1.01 -1.00 -1.89 0.00 0.00 176.35 174.73 1wic s HIS 20 N -0.19 3.52 -0.10 5.38 3.76 -0.02 -4.14 115.29 123.50 1wic s HIS 20 Ca 0.02 1.38 0.01 0.00 -0.15 0.00 0.00 55.06 56.32 1wic s HIS 20 Cb -0.13 -2.76 0.02 0.00 1.11 0.00 0.00 32.58 30.81 1wic s HIS 20 CO 0.03 -0.57 -0.13 0.42 -0.85 0.00 0.00 174.74 173.64 1wic s ILE 21 N -2.91 1.32 -0.07 0.60 -1.09 -1.14 -3.15 121.20 114.75 1wic s ILE 21 Ca 0.57 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1wic s ILE 21 Cb -0.11 -1.23 0.02 0.00 -1.58 0.00 0.00 42.46 39.57 1wic s ILE 21 CO 0.43 0.41 -0.05 -0.44 -1.23 0.00 0.00 174.94 174.06 1wic s SER 22 N 1.11 1.46 0.53 3.58 0.01 0.20 -1.03 113.70 119.56 1wic s SER 22 Ca -0.05 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1wic s SER 22 Cb -0.14 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1wic s SER 22 CO -0.03 -0.09 0.00 -0.81 0.41 0.00 0.00 173.24 172.72 1wic n PRO 23 N 4.48 0.21 0.00 12.44 -0.04 -1.26 0.90 135.00 151.73 1wic n PRO 23 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 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 -0.09 -4.40 120.51 110.40 1wic n ALA 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 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 -0.85 0.00 0.00 0.00 177.50 176.65 1wic n GLU 25 N -0.03 1.23 -3.15 0.00 0.28 -1.26 -4.65 120.64 113.05 1wic n GLU 25 Ca 0.00 -3.57 0.04 0.00 -0.16 0.00 0.00 57.16 53.47 1wic n GLU 25 Cb 0.00 -1.65 -0.01 0.00 1.43 0.00 0.00 31.44 31.22 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1wic s GLU 26 N -2.16 0.49 -0.27 3.44 -1.05 -1.21 -4.22 118.70 113.72 1wic s GLU 26 Ca 0.39 0.66 -0.12 0.00 -0.15 0.00 0.00 54.97 55.75 1wic s GLU 26 Cb 0.27 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 34.26 1wic s GLU 26 CO -0.09 -0.73 0.25 -1.17 0.95 0.00 0.00 175.26 174.47 1wic s LEU 27 N 2.87 4.04 -0.37 1.83 2.96 0.50 -4.72 118.68 125.77 1wic s LEU 27 Ca 0.15 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1wic s LEU 27 Cb -0.11 -2.23 0.08 0.00 0.50 0.00 0.00 46.19 44.43 1wic s LEU 27 CO -0.22 -0.09 0.14 -0.31 -1.32 0.00 0.00 176.35 174.55 1wic s TYR 28 N 1.80 3.41 -0.86 5.38 2.02 -1.26 0.15 117.35 128.00 1wic s TYR 28 Ca 0.10 -1.98 -0.18 0.00 -0.37 0.00 0.00 57.07 54.64 1wic s TYR 28 Cb -0.16 -2.74 0.14 0.00 -0.40 0.00 0.00 41.96 38.80 1wic s TYR 28 CO 0.10 -0.87 1.01 -0.06 -1.57 0.00 0.00 175.55 174.16 1wic s PHE 29 N 1.26 3.19 0.00 2.71 0.40 -1.26 -4.58 117.98 119.69 1wic s PHE 29 Ca 0.02 -1.39 0.00 0.00 -0.60 0.00 0.00 56.93 54.96 1wic s PHE 29 Cb -0.22 -4.18 0.00 0.00 0.51 0.00 0.00 43.02 39.14 1wic s PHE 29 CO -0.01 -1.40 0.00 0.41 0.70 0.00 0.00 175.22 174.92 1wic n GLY 30 N 5.20 -1.10 3.90 4.36 0.00 -1.26 -4.77 105.19 111.52 1wic n GLY 30 Ca 0.17 0.88 -0.28 0.00 0.00 0.00 0.00 46.02 46.79 1wic n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wic s SER 31 N 0.00 5.76 0.26 1.61 0.15 -1.03 -4.97 113.70 115.48 1wic s SER 31 Ca 0.00 0.97 -0.26 0.00 0.70 0.00 0.00 55.95 57.35 1wic s SER 31 Cb 0.00 -1.97 -0.16 0.00 -1.71 0.00 0.00 66.02 62.18 1wic s SER 31 CO 0.00 -1.02 0.47 -0.38 1.20 0.00 0.00 173.24 173.50 1wic n ILE 32 N -2.66 1.72 -4.40 6.45 -0.00 -1.26 -4.52 119.36 114.69 1wic n ILE 32 Ca 0.05 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.30 1wic n ILE 32 Cb 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 1wic n ILE 32 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1wic n GLU 33 N 1.03 0.00 -0.79 0.38 2.13 -1.26 -4.15 120.64 117.98 1wic n GLU 33 Ca 0.16 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.96 1wic n GLU 33 Cb 0.29 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.26 1wic n GLU 33 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1wic n SER 34 N -0.68 3.86 0.00 4.31 2.88 -1.26 -4.83 113.62 117.90 1wic n SER 34 Ca 0.00 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1wic n SER 34 Cb 0.00 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 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 -0.58 -1.84 3.68 0.46 0.00 -1.26 -4.97 105.19 100.69 1wic n GLY 35 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 1wic n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wic s GLU 36 N 0.00 2.12 -0.50 1.61 2.02 -1.26 -5.07 118.70 117.62 1wic s GLU 36 Ca 0.00 -1.89 0.08 0.00 0.02 0.00 0.00 54.97 53.17 1wic s GLU 36 Cb 0.00 -1.88 0.29 0.00 0.10 0.00 0.00 34.13 32.64 1wic s GLU 36 CO 0.00 -0.04 0.73 1.63 0.02 0.00 0.00 175.26 177.59 1wic n LYS 37 N -1.10 1.88 -4.43 1.61 5.02 -1.26 -2.46 118.16 117.41 1wic n LYS 37 Ca -0.03 -4.06 -0.29 0.00 -2.02 0.00 0.00 58.31 51.91 1wic n LYS 37 Cb 0.65 -1.86 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 1wic n LYS 37 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wic s LYS 38 N -2.33 1.55 0.28 1.97 2.36 -1.26 -4.34 119.74 117.97 1wic s LYS 38 Ca 0.41 -1.27 0.10 0.00 -2.55 0.00 0.00 55.97 52.66 1wic s LYS 38 Cb 0.22 -1.97 -0.05 0.00 -1.05 0.00 0.00 37.83 34.99 1wic s LYS 38 CO -0.08 0.47 -0.07 -0.08 1.55 0.00 0.00 175.35 177.13 1wic s THR 39 N -1.05 3.02 -0.12 3.43 -1.32 -1.05 -4.55 115.64 114.00 1wic s THR 39 Ca 0.15 -2.10 -0.00 0.00 -1.21 0.00 0.00 61.69 58.53 1wic s THR 39 Cb -0.10 -2.64 0.02 0.00 -1.51 0.00 0.00 72.50 68.27 1wic s THR 39 CO 0.07 -0.37 -0.09 -0.22 -2.21 0.00 0.00 174.62 171.80 1wic s LEU 40 N -3.62 1.31 0.09 9.08 2.96 -1.26 -0.55 118.68 126.70 1wic s LEU 40 Ca 0.31 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 1wic s LEU 40 Cb -0.05 -0.91 -0.07 0.00 0.50 0.00 0.00 46.19 45.66 1wic s LEU 40 CO 0.18 -0.10 0.54 -0.63 -1.32 0.00 0.00 176.35 175.03 1wic s ILE 41 N 1.59 4.82 -0.07 6.68 1.01 0.35 -4.67 121.20 130.91 1wic s ILE 41 Ca 0.04 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1wic s ILE 41 Cb -0.13 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1wic s ILE 41 CO -0.08 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.43 1wic s VAL 42 N -1.24 2.64 -0.26 2.92 1.01 0.26 -0.08 120.40 125.65 1wic s VAL 42 Ca 0.32 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1wic s VAL 42 Cb -0.17 -2.02 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1wic s VAL 42 CO 0.18 0.57 -0.03 -0.76 0.00 0.00 0.00 175.10 175.06 1wic s LEU 43 N -0.26 3.03 -0.47 3.92 1.43 -1.15 0.59 118.68 125.77 1wic s LEU 43 Ca 0.00 -1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 51.52 1wic s LEU 43 Cb -0.13 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.86 1wic s LEU 43 CO 0.03 -0.27 0.49 -0.89 0.23 0.00 0.00 176.35 175.94 1wic s THR 44 N 1.29 5.07 -0.73 5.49 2.01 -1.19 -1.65 115.64 125.93 1wic s THR 44 Ca -0.02 -0.68 -0.26 0.00 0.31 0.00 0.00 61.69 61.04 1wic s THR 44 Cb -0.19 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 1wic s THR 44 CO -0.08 -0.62 1.65 0.21 -0.69 0.00 0.00 174.62 175.10 1wic s ASN 45 N 2.43 5.64 0.16 3.53 2.47 -0.87 -0.84 114.94 127.46 1wic s ASN 45 Ca 0.10 -0.21 -0.08 0.00 0.42 0.00 0.00 52.86 53.09 1wic s ASN 45 Cb -0.21 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.07 1wic s ASN 45 CO 0.10 -2.18 1.48 -0.37 -3.72 0.00 0.00 177.10 172.41 1wic h VAL 46 N 6.66 1.29 -2.71 -5.21 -1.51 -1.82 0.86 116.25 113.81 1wic h VAL 46 Ca -0.18 -1.66 -0.51 0.00 -1.23 0.00 0.00 66.70 63.12 1wic h VAL 46 Cb 1.09 1.56 0.23 0.00 -2.13 0.00 0.00 31.29 32.04 1wic h VAL 46 CO 1.26 0.54 -1.09 0.35 -1.23 0.00 0.00 177.57 177.39 1wic n THR 47 N -4.02 0.00 -0.96 7.19 -2.24 -1.20 -4.60 114.28 108.46 1wic n THR 47 Ca -0.03 -0.26 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1wic n THR 47 Cb 0.58 -0.46 0.36 0.00 -2.10 0.00 0.00 70.33 68.71 1wic n THR 47 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1wic n LYS 48 N -0.74 4.37 -3.79 -0.78 3.00 -1.26 -3.77 118.16 115.18 1wic n LYS 48 Ca 0.03 -3.11 -0.13 0.00 -0.00 0.00 0.00 58.31 55.10 1wic n LYS 48 Cb 0.58 -2.19 -0.13 0.00 0.00 0.00 0.00 35.03 33.29 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 -1.04 -0.18 0.36 3.14 0.01 -1.26 -4.88 114.94 111.09 1wic s ASN 49 Ca 0.53 0.37 -0.22 0.00 -0.71 0.00 0.00 52.86 52.83 1wic s ASN 49 Cb 0.41 0.34 -0.15 0.00 0.41 0.00 0.00 41.25 42.26 1wic s ASN 49 CO 0.14 -0.08 0.15 -0.38 -1.51 0.00 0.00 177.10 175.42 1wic n ILE 50 N 3.27 0.83 -3.79 0.60 5.41 -1.26 -4.49 119.36 119.93 1wic n ILE 50 Ca -0.16 -0.49 -0.20 0.00 1.00 0.00 0.00 62.75 62.91 1wic n ILE 50 Cb 0.57 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.33 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 -1.54 0.14 -0.11 1.39 1.01 -1.03 -0.77 120.40 119.49 1wic s VAL 51 Ca 0.59 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.53 1wic s VAL 51 Cb -0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1wic s VAL 51 CO 0.60 0.19 0.80 0.00 0.00 0.00 0.00 175.10 176.70 1wic s ALA 52 N 1.69 3.40 0.35 5.51 0.00 -0.48 -0.92 121.76 131.31 1wic s ALA 52 Ca -0.00 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.18 1wic s ALA 52 Cb -0.13 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1wic s ALA 52 CO -0.03 -0.39 -0.02 -0.59 0.00 0.00 0.00 175.76 174.72 1wic s PHE 53 N 1.50 2.49 -0.20 0.00 -0.12 0.19 -0.84 117.98 121.00 1wic s PHE 53 Ca 0.40 -0.50 -0.12 0.00 -0.05 0.00 0.00 56.93 56.67 1wic s PHE 53 Cb -0.18 -1.50 0.06 0.00 -0.63 0.00 0.00 43.02 40.78 1wic s PHE 53 CO 0.17 0.50 0.49 0.15 -0.05 0.00 0.00 175.22 176.48 1wic s LYS 54 N -3.68 0.49 -0.28 1.99 1.02 -0.23 -2.84 119.74 116.22 1wic s LYS 54 Ca 0.34 0.91 -0.06 0.00 0.02 0.00 0.00 55.97 57.18 1wic s LYS 54 Cb 0.02 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1wic s LYS 54 CO 0.18 -0.15 0.05 0.08 -0.92 0.00 0.00 175.35 174.59 1wic s VAL 55 N 1.42 3.83 0.37 3.17 1.01 -1.26 0.20 120.40 129.14 1wic s VAL 55 Ca -0.09 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1wic s VAL 55 Cb -0.07 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1wic s VAL 55 CO -0.14 0.16 0.08 -0.13 0.00 0.00 0.00 175.10 175.06 1wic s ARG 56 N 1.49 1.79 0.30 2.72 0.52 0.18 -4.79 118.95 121.16 1wic s ARG 56 Ca 0.03 -2.04 -0.20 0.00 -0.52 0.00 0.00 55.73 53.01 1wic s ARG 56 Cb -0.17 -0.85 0.04 0.00 0.52 0.00 0.00 34.95 34.49 1wic s ARG 56 CO 0.01 -0.29 0.79 -0.08 0.02 0.00 0.00 175.30 175.76 1wic s THR 57 N -3.23 0.00 -0.83 0.02 -1.32 -1.26 0.18 115.64 109.20 1wic s THR 57 Ca 0.30 -0.94 0.05 0.00 -1.21 0.00 0.00 61.69 59.90 1wic s THR 57 Cb 0.06 -2.39 0.27 0.00 -1.51 0.00 0.00 72.50 68.94 1wic s THR 57 CO 0.14 0.00 0.94 0.35 -2.21 0.00 0.00 174.62 173.84 1wic n THR 58 N -0.50 0.90 -2.73 5.08 -2.24 -1.13 -4.22 114.28 109.43 1wic n THR 58 Ca -0.06 -0.46 -0.05 0.00 -2.27 0.00 0.00 64.05 61.20 1wic n THR 58 Cb 0.60 -0.38 0.04 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 0.21 -2.26 0.17 6.98 0.00 -1.26 -4.98 120.51 119.37 1wic n ALA 59 Ca 0.09 -0.88 0.04 0.00 0.00 0.00 0.00 53.44 52.69 1wic n ALA 59 Cb 0.55 -1.97 0.23 0.00 0.00 0.00 0.00 19.45 18.26 1wic n ALA 59 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wic h PRO 60 N 4.26 0.00 -1.13 0.00 0.13 -1.85 -2.74 132.00 130.67 1wic h PRO 60 Ca -0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.74 1wic h PRO 60 Cb 1.10 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.06 1wic h PRO 60 CO 0.07 0.43 0.42 -0.85 -0.23 0.00 0.00 178.00 177.85 1wic n GLU 61 N -3.42 1.80 0.00 0.86 0.28 -1.26 -4.00 120.64 114.90 1wic n GLU 61 Ca 0.00 -1.79 0.00 0.00 -0.16 0.00 0.00 57.16 55.22 1wic n GLU 61 Cb 0.59 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 -0.29 0.00 -3.83 3.44 5.02 -1.16 -4.98 118.16 116.37 1wic n LYS 62 Ca 0.35 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.28 1wic n LYS 62 Cb 1.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 35.03 35.86 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 -1.90 3.17 -0.59 2.13 2.02 -1.04 0.18 117.35 121.32 1wic s TYR 63 Ca 0.00 -0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 56.28 1wic s TYR 63 Cb 0.00 -2.20 0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1wic s TYR 63 CO 0.00 -0.14 1.15 1.03 -1.57 0.00 0.00 175.55 176.02 1wic s ARG 64 N 1.19 3.45 -0.19 -0.62 0.52 0.51 -4.74 118.95 119.08 1wic s ARG 64 Ca 0.05 0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1wic s ARG 64 Cb -0.14 -4.03 -0.03 0.00 0.52 0.00 0.00 34.95 31.26 1wic s ARG 64 CO 0.04 -1.68 0.01 0.08 0.02 0.00 0.00 175.30 173.78 1wic s VAL 65 N 4.80 4.20 -0.28 3.52 1.01 -1.26 -1.64 120.40 130.75 1wic s VAL 65 Ca 0.40 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1wic s VAL 65 Cb -0.09 -2.89 0.11 0.00 0.00 0.00 0.00 36.38 33.52 1wic s VAL 65 CO 0.23 0.45 0.82 -0.75 0.00 0.00 0.00 175.10 175.85 1wic s LYS 66 N 0.69 0.58 0.30 2.72 2.36 -0.83 -3.69 119.74 121.87 1wic s LYS 66 Ca 0.01 0.96 -0.28 0.00 -2.55 0.00 0.00 55.97 54.10 1wic s LYS 66 Cb -0.14 0.14 -0.09 0.00 -1.05 0.00 0.00 37.83 36.69 1wic s LYS 66 CO 0.02 -0.12 1.07 -1.25 1.55 0.00 0.00 175.35 176.63 1wic s PRO 67 N 1.36 4.56 -0.31 4.03 0.04 -1.25 -0.27 135.00 143.16 1wic s PRO 67 Ca -0.08 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.75 1wic s PRO 67 Cb -0.04 -3.06 0.50 0.00 0.04 0.00 0.00 34.50 31.93 1wic s PRO 67 CO -0.16 0.16 1.46 -1.13 0.04 0.00 0.00 177.00 177.37 1wic n SER 68 N 0.95 2.92 0.00 6.66 3.41 -1.24 -4.67 113.62 121.64 1wic n SER 68 Ca 0.00 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 1wic n SER 68 Cb 0.46 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1wic n SER 68 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wic n ASN 69 N -1.08 0.00 -0.59 4.04 6.94 -1.26 -4.24 115.26 119.07 1wic n ASN 69 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.92 1wic n ASN 69 Cb 1.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.42 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1wic n SER 70 N 0.00 0.00 -4.00 0.53 2.88 -1.13 -5.07 113.62 106.83 1wic n SER 70 Ca 0.00 -0.59 -0.12 0.00 -1.33 0.00 0.00 58.87 56.83 1wic n SER 70 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1wic n SER 70 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wic s SER 71 N 0.22 0.55 -0.20 -3.46 1.04 -1.26 -0.64 113.70 109.94 1wic s SER 71 Ca 0.00 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1wic s SER 71 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1wic s SER 71 CO 0.00 -0.18 -0.10 0.00 0.98 0.00 0.00 173.24 173.94 1wic n ASP 73 N 4.71 -1.08 -4.76 0.00 9.92 -1.26 -2.45 116.55 121.63 1wic n ASP 73 Ca -0.19 0.13 -0.40 0.00 -0.53 0.00 0.00 54.79 53.79 1wic n ASP 73 Cb 0.51 -1.30 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 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 -4.27 4.63 -0.97 -0.24 0.04 -1.26 -3.18 135.00 129.75 1wic s PRO 74 Ca 0.65 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1wic s PRO 74 Cb -0.22 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1wic s PRO 74 CO 0.63 0.22 0.00 0.41 0.04 0.00 0.00 177.00 178.30 1wic n GLY 75 N 1.17 0.15 2.89 0.56 0.00 0.30 -4.97 105.19 105.29 1wic n GLY 75 Ca -0.01 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.04 0.54 -2.99 4.61 0.00 -1.19 -5.00 120.51 115.44 1wic n ALA 76 Ca -0.13 -1.78 -0.12 0.00 0.00 0.00 0.00 53.44 51.41 1wic n ALA 76 Cb 0.56 1.27 -0.13 0.00 0.00 0.00 0.00 19.45 21.15 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 -3.14 -0.08 0.40 0.00 1.04 -1.26 -2.05 113.70 108.61 1wic s SER 77 Ca 0.23 0.16 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1wic s SER 77 Cb 0.01 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1wic s SER 77 CO 0.17 -0.03 0.39 -0.51 0.98 0.00 0.00 173.24 174.23 1wic s ILE 78 N 0.09 2.84 -0.16 -1.02 2.07 -0.66 -4.91 121.20 119.45 1wic s ILE 78 Ca -0.00 -1.30 -0.01 0.00 -1.41 0.00 0.00 60.65 57.92 1wic s ILE 78 Cb -0.01 -3.03 0.04 0.00 0.13 0.00 0.00 42.46 39.59 1wic s ILE 78 CO -0.00 -0.03 -0.03 1.51 -1.91 0.00 0.00 174.94 174.48 1wic s ASP 79 N -4.14 2.70 -0.30 4.50 -4.77 -1.26 -2.95 116.67 110.46 1wic s ASP 79 Ca 0.48 -0.62 -0.02 0.00 -3.30 0.00 0.00 52.55 49.09 1wic s ASP 79 Cb -0.04 -0.81 0.05 0.00 -1.09 0.00 0.00 42.92 41.02 1wic s ASP 79 CO 0.28 -0.20 -0.00 -0.63 0.70 0.00 0.00 175.17 175.32 1wic s ILE 80 N 1.71 2.99 0.30 2.11 -1.09 0.89 -3.85 121.20 124.26 1wic s ILE 80 Ca 0.01 -1.35 -0.22 0.00 -2.23 0.00 0.00 60.65 56.86 1wic s ILE 80 Cb -0.15 -2.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.93 1wic s ILE 80 CO -0.07 -0.09 0.84 -0.63 -1.23 0.00 0.00 174.94 173.76 1wic s ILE 81 N 1.26 4.41 -0.31 2.92 1.09 0.63 0.13 121.20 131.33 1wic s ILE 81 Ca -0.05 1.49 -0.02 0.00 -1.10 0.00 0.00 60.65 60.97 1wic s ILE 81 Cb -0.20 -3.86 0.11 0.00 -1.06 0.00 0.00 42.46 37.46 1wic s ILE 81 CO -0.01 0.07 0.15 -0.69 -0.10 0.00 0.00 174.94 174.35 1wic s VAL 82 N -1.70 0.15 -0.13 2.92 1.01 0.29 -1.97 120.40 120.97 1wic s VAL 82 Ca 0.50 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wic s VAL 82 Cb -0.16 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 1wic s VAL 82 CO 0.21 -0.78 -0.18 -0.55 0.00 0.00 0.00 175.10 173.79 1wic s SER 83 N 1.76 3.49 0.63 3.32 0.15 -0.65 -2.53 113.70 119.87 1wic s SER 83 Ca 0.11 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 1wic s SER 83 Cb -0.18 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 1wic s SER 83 CO -0.26 0.13 1.05 -2.16 1.20 0.00 0.00 173.24 173.21 1wic s PRO 84 N 0.52 3.19 0.99 5.44 0.04 -1.26 0.19 135.00 144.11 1wic s PRO 84 Ca -0.12 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1wic s PRO 84 Cb -0.16 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1wic s PRO 84 CO 0.05 -0.90 0.02 0.72 0.04 0.00 0.00 177.00 176.92 1wic n HIS 85 N -2.50 -1.95 -3.08 0.56 8.25 0.49 -4.81 115.22 112.17 1wic n HIS 85 Ca 0.08 0.15 -0.34 0.00 -0.26 0.00 0.00 57.72 57.35 1wic n HIS 85 Cb 0.53 -1.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.19 1wic n HIS 85 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wic n GLY 86 N 2.51 5.29 0.00 -1.41 0.00 -1.26 -4.64 105.19 105.68 1wic n GLY 86 Ca 0.03 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.34 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 0.67 -1.92 0.47 -0.02 0.00 -1.26 -5.15 105.19 97.99 1wic n GLY 87 Ca 0.32 0.64 -0.04 0.00 0.00 0.00 0.00 46.02 46.93 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 0.00 0.99 -0.00 -1.26 -5.09 117.00 111.64 1wic n LEU 88 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1wic n LEU 88 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1wic n LEU 88 CO 0.00 -1.09 0.00 0.35 -0.00 0.00 0.00 177.39 176.65 1wic n THR 89 N -2.74 0.00 0.61 1.47 -2.24 -1.26 -4.88 114.28 105.24 1wic n THR 89 Ca 0.02 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1wic n THR 89 Cb 0.08 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 67.72 1wic n THR 89 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wic n VAL 90 N -0.41 0.00 -1.27 2.28 0.31 -1.26 -4.87 118.33 113.11 1wic n VAL 90 Ca 0.00 -0.17 0.16 0.00 -0.01 0.00 0.00 64.34 64.31 1wic n VAL 90 Cb 0.00 0.75 -0.05 0.00 -0.91 0.00 0.00 33.84 33.63 1wic n VAL 90 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wic n SER 91 N -1.62 -7.20 -0.03 4.52 2.88 -1.26 -4.50 113.62 106.41 1wic n SER 91 Ca 0.02 0.75 0.03 0.00 -1.33 0.00 0.00 58.87 58.34 1wic n SER 91 Cb 0.33 -4.05 0.04 0.00 -0.75 0.00 0.00 64.21 59.79 1wic n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wic n ALA 92 N -2.79 2.00 -0.04 -1.46 0.00 -1.26 -4.62 120.51 112.34 1wic n ALA 92 Ca -0.02 -1.41 -0.05 0.00 0.00 0.00 0.00 53.44 51.97 1wic n ALA 92 Cb 0.65 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1wic n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wic n GLN 93 N -0.71 2.39 -0.79 0.00 10.64 -1.26 -5.02 117.38 122.63 1wic n GLN 93 Ca 0.04 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.88 1wic n GLN 93 Cb 0.38 -1.22 0.12 0.00 -0.86 0.00 0.00 30.24 28.66 1wic n GLN 93 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wic n ASP 94 N -2.36 -2.41 -3.77 2.61 2.03 -1.26 -5.03 116.55 106.36 1wic n ASP 94 Ca -0.15 0.23 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 1wic n ASP 94 Cb 0.78 -1.13 -0.09 0.00 -0.72 0.00 0.00 41.12 39.97 1wic n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1wic s ARG 95 N -3.48 0.65 0.17 -0.67 1.81 -1.26 -4.66 118.95 111.50 1wic s ARG 95 Ca 0.55 -0.18 0.07 0.00 -1.72 0.00 0.00 55.73 54.45 1wic s ARG 95 Cb -0.19 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 1wic s ARG 95 CO 0.68 -0.17 0.03 -0.06 -0.68 0.00 0.00 175.30 175.10 1wic s PHE 96 N -1.28 2.92 0.01 -0.53 0.08 0.68 -2.85 117.98 117.01 1wic s PHE 96 Ca -0.13 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1wic s PHE 96 Cb -0.05 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 1wic s PHE 96 CO 0.04 0.52 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.43 1wic s LEU 97 N -2.93 2.08 -0.04 -0.37 1.98 0.47 -0.10 118.68 119.76 1wic s LEU 97 Ca 0.28 -0.24 -0.00 0.00 -2.89 0.00 0.00 54.13 51.28 1wic s LEU 97 Cb -0.10 -0.33 0.03 0.00 0.66 0.00 0.00 46.19 46.45 1wic s LEU 97 CO 0.20 0.02 0.00 -0.63 -1.89 0.00 0.00 176.35 174.05 1wic s ILE 98 N -0.47 0.25 0.17 6.68 1.01 0.40 0.52 121.20 129.75 1wic s ILE 98 Ca -0.00 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1wic s ILE 98 Cb -0.05 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 1wic s ILE 98 CO 0.00 0.19 0.10 -0.04 0.00 0.00 0.00 174.94 175.20 1wic s MET 99 N 1.40 2.79 -0.30 2.79 -1.94 0.54 -0.05 119.30 124.53 1wic s MET 99 Ca -0.04 -0.92 -0.10 0.00 -1.71 0.00 0.00 55.69 52.92 1wic s MET 99 Cb -0.13 -2.58 0.14 0.00 2.01 0.00 0.00 34.83 34.27 1wic s MET 99 CO -0.03 0.48 0.71 0.00 -0.01 0.00 0.00 175.02 176.17 1wic s ALA 100 N -1.75 -2.22 -0.06 3.03 0.00 -0.72 -1.07 121.76 118.99 1wic s ALA 100 Ca 0.30 2.22 0.02 0.00 0.00 0.00 0.00 51.96 54.50 1wic s ALA 100 Cb -0.10 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1wic s ALA 100 CO 0.22 -0.99 -0.11 0.00 0.00 0.00 0.00 175.76 174.88 1wic s ALA 101 N 2.82 1.14 0.05 0.00 0.00 -0.02 0.20 121.76 125.95 1wic s ALA 101 Ca -0.02 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 1wic s ALA 101 Cb -0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 1wic s ALA 101 CO -0.19 0.11 1.39 -2.00 0.00 0.00 0.00 175.76 175.07 1wic s GLU 102 N 0.59 4.31 0.68 0.00 2.12 -1.26 -1.38 118.70 123.75 1wic s GLU 102 Ca -0.12 2.00 -0.04 0.00 0.36 0.00 0.00 54.97 57.17 1wic s GLU 102 Cb -0.14 -3.43 0.07 0.00 0.26 0.00 0.00 34.13 30.89 1wic s GLU 102 CO 0.03 -0.50 0.96 -1.64 -0.54 0.00 0.00 175.26 173.57 1wic s MET 103 N 1.79 2.14 0.00 4.30 -1.94 0.05 -4.94 119.30 120.69 1wic s MET 103 Ca 0.64 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 1wic s MET 103 Cb -0.34 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1wic s MET 103 CO 0.28 -1.18 0.00 0.39 -0.01 0.00 0.00 175.02 174.50 1wic n GLU 104 N -2.80 3.30 0.00 2.03 1.02 -1.26 -4.71 120.64 118.22 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 1.04 1.18 0.00 0.00 177.13 179.35 1wic n GLN 105 N 0.00 0.00 -2.81 3.49 1.13 -1.26 -4.62 117.38 113.31 1wic n GLN 105 Ca 0.00 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.09 1wic n GLN 105 Cb 0.00 -0.95 -0.03 0.00 0.11 0.00 0.00 30.24 29.36 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1wic s SER 106 N -2.92 6.96 -0.23 1.08 0.01 -1.26 -4.86 113.70 112.49 1wic s SER 106 Ca 0.00 1.20 0.02 0.00 1.31 0.00 0.00 55.95 58.48 1wic s SER 106 Cb 0.00 -2.48 0.04 0.00 0.21 0.00 0.00 66.02 63.80 1wic s SER 106 CO 0.00 -0.53 -0.14 -0.44 0.41 0.00 0.00 173.24 172.54 1wic s SER 107 N 1.24 3.87 0.45 2.44 0.01 -1.26 -4.97 113.70 115.48 1wic s SER 107 Ca 0.39 -1.08 0.30 0.00 1.31 0.00 0.00 55.95 56.88 1wic s SER 107 Cb -0.16 -1.49 1.24 0.00 0.21 0.00 0.00 66.02 65.82 1wic s SER 107 CO 0.09 -0.12 1.89 1.23 0.41 0.00 0.00 173.24 176.74 1wic h GLY 108 N 7.85 0.00 -6.33 3.44 0.00 -1.95 -3.47 103.07 102.61 1wic h GLY 108 Ca -0.30 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.64 1wic h GLY 108 CO 0.53 0.00 -0.91 -1.30 0.00 0.00 0.00 176.54 174.86 1wic n THR 109 N -2.80 -2.64 -3.95 4.70 -2.24 -1.26 -4.94 114.28 101.14 1wic n THR 109 Ca 0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 1wic n THR 109 Cb 0.28 -2.36 -0.01 0.00 -2.10 0.00 0.00 70.33 66.14 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 -1.26 3.71 0.20 3.38 0.00 -1.26 -4.99 105.19 104.97 1wic n GLY 110 Ca -0.24 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.97 -2.63 132.00 129.14 1wic h PRO 111 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1wic h PRO 111 Cb 0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1wic h PRO 111 CO 0.04 0.29 -0.16 0.00 -0.23 0.00 0.00 178.00 177.94 1wic n ALA 112 N -2.21 0.14 -0.34 -0.56 0.00 -1.26 -3.19 120.51 113.10 1wic n ALA 112 Ca 0.01 -0.24 0.17 0.00 0.00 0.00 0.00 53.44 53.37 1wic n ALA 112 Cb 0.53 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.92 -0.08 0.27 0.00 -0.58 -1.26 0.10 120.64 116.18 1wic n GLU 113 Ca -0.02 1.48 -0.11 0.00 -0.42 0.00 0.00 57.16 58.09 1wic n GLU 113 Cb 0.09 -2.38 -0.05 0.00 -0.57 0.00 0.00 31.44 28.52 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 -0.59 -1.70 -4.62 3.38 -1.67 0.95 115.31 111.06 1wic h LEU 114 Ca 0.63 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.98 1wic h LEU 114 Cb 1.36 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 1wic h LEU 114 CO -0.92 -0.38 0.85 -1.28 0.09 0.00 0.00 178.44 176.80 1wic h SER 115 N -0.78 0.18 0.88 -0.43 0.87 -0.80 2.34 113.55 115.81 1wic h SER 115 Ca -0.07 0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.31 1wic h SER 115 Cb 0.53 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1wic h SER 115 CO 0.12 -0.00 -1.10 1.56 -0.53 0.00 0.00 176.83 176.87 1wic h GLN 116 N 0.14 0.07 0.00 2.24 4.20 0.10 -1.30 115.11 120.56 1wic h GLN 116 Ca 0.65 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 59.23 1wic h GLN 116 Cb 2.21 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 30.04 1wic h GLN 116 CO -0.17 1.04 -0.48 0.35 -0.67 0.00 0.00 178.83 178.90 1wic h PHE 117 N 0.02 0.00 0.00 2.96 3.57 1.01 -2.18 116.94 122.32 1wic h PHE 117 Ca -0.06 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 1wic h PHE 117 Cb 1.83 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.55 1wic h PHE 117 CO 0.02 0.02 -1.43 0.91 -2.23 0.00 0.00 178.31 175.59 1wic n TRP 118 N -2.91 0.97 0.13 0.41 7.02 0.67 -1.28 117.44 122.45 1wic n TRP 118 Ca 0.02 0.32 0.07 0.00 -1.02 0.00 0.00 57.50 56.89 1wic n TRP 118 Cb 0.55 -1.09 0.04 0.00 -2.42 0.00 0.00 31.31 28.39 1wic n TRP 118 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1wic h LYS 119 N 0.00 0.00 0.06 -0.99 5.09 -1.26 -3.34 116.57 116.13 1wic h LYS 119 Ca -0.17 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.21 1wic h LYS 119 Cb 1.59 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.89 1wic h LYS 119 CO 0.05 0.19 -2.04 0.39 -2.09 0.00 0.00 179.45 175.94 1wic n GLU 120 N -2.99 0.69 -2.15 0.07 1.02 -0.82 -4.86 120.64 111.60 1wic n GLU 120 Ca -0.00 0.29 -0.43 0.00 -0.02 0.00 0.00 57.16 57.00 1wic n GLU 120 Cb 0.65 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 3.81 0.86 2.62 0.11 -0.40 -4.99 120.40 119.90 1wic s VAL 121 Ca -0.28 0.97 -0.12 0.00 -2.93 0.00 0.00 61.98 59.62 1wic s VAL 121 Cb 0.08 -3.65 0.11 0.00 -1.53 0.00 0.00 36.38 31.39 1wic s VAL 121 CO 0.67 -0.11 1.12 -2.16 -3.33 0.00 0.00 175.10 171.29 1wic s PRO 122 N 3.95 1.53 0.00 1.54 0.04 -1.26 -4.78 135.00 136.01 1wic s PRO 122 Ca 0.67 0.43 0.22 0.00 0.04 0.00 0.00 61.00 62.36 1wic s PRO 122 Cb -0.29 -1.87 1.34 0.00 0.04 0.00 0.00 34.50 33.72 1wic s PRO 122 CO 0.25 -1.96 1.75 2.89 0.04 0.00 0.00 177.00 179.97 1wic n ARG 123 N -3.63 0.81 -0.00 4.56 0.00 -1.26 -1.81 116.66 115.33 1wic n ARG 123 Ca 0.07 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.02 1wic n ARG 123 Cb 0.58 -1.43 -0.13 0.00 -0.00 0.00 0.00 32.46 31.48 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 -0.93 0.69 -0.06 2.89 2.85 -1.26 -4.28 115.26 115.15 1wic n ASN 124 Ca 0.17 -0.60 -0.03 0.00 -0.11 0.00 0.00 54.58 54.01 1wic n ASN 124 Cb 0.08 1.36 -0.13 0.00 1.24 0.00 0.00 39.78 42.33 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 -1.76 1.12 -3.57 1.20 4.76 -0.85 -4.95 118.16 114.12 1wic n LYS 125 Ca 0.01 -0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 55.02 1wic n LYS 125 Cb 0.40 -1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 32.12 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 -2.64 5.11 0.56 -0.18 0.11 -0.75 -4.56 120.40 118.05 1wic s VAL 126 Ca -0.07 0.69 -0.13 0.00 -2.93 0.00 0.00 61.98 59.53 1wic s VAL 126 Cb 0.07 -3.66 -0.06 0.00 -1.53 0.00 0.00 36.38 31.20 1wic s VAL 126 CO 0.68 0.54 1.00 -0.32 -3.33 0.00 0.00 175.10 173.66 1wic s MET 127 N -1.21 3.76 -0.19 1.54 1.75 0.52 -4.80 119.30 120.66 1wic s MET 127 Ca 0.24 0.82 -0.04 0.00 -1.25 0.00 0.00 55.69 55.46 1wic s MET 127 Cb -0.16 -2.12 0.08 0.00 2.84 0.00 0.00 34.83 35.48 1wic s MET 127 CO 0.13 -0.41 0.19 -1.21 -0.65 0.00 0.00 175.02 173.06 1wic s GLU 128 N -4.64 0.15 -0.20 4.11 2.02 -1.25 -1.75 118.70 117.15 1wic s GLU 128 Ca 0.56 0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.72 1wic s GLU 128 Cb -0.10 -1.32 0.04 0.00 0.10 0.00 0.00 34.13 32.84 1wic s GLU 128 CO 0.43 -0.65 -0.14 -1.58 0.02 0.00 0.00 175.26 173.34 1wic s HIS 129 N 2.28 2.72 0.06 1.61 2.46 0.93 -4.93 115.29 120.41 1wic s HIS 129 Ca 0.06 -1.74 -0.21 0.00 0.47 0.00 0.00 55.06 53.64 1wic s HIS 129 Cb -0.16 -1.80 -0.06 0.00 -0.13 0.00 0.00 32.58 30.43 1wic s HIS 129 CO -0.11 -0.79 0.61 1.03 -2.47 0.00 0.00 174.74 173.01 1wic s ARG 130 N 1.30 4.29 0.03 2.88 3.00 -1.26 -0.46 118.95 128.74 1wic s ARG 130 Ca -0.00 0.80 0.04 0.00 0.00 0.00 0.00 55.73 56.56 1wic s ARG 130 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 34.95 31.48 1wic s ARG 130 CO -0.10 0.53 -0.04 -0.51 0.00 0.00 0.00 175.30 175.19 1wic s LEU 131 N -0.79 3.28 -0.01 2.53 1.43 0.86 -4.79 118.68 121.19 1wic s LEU 131 Ca 0.31 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1wic s LEU 131 Cb -0.20 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1wic s LEU 131 CO 0.19 0.25 -0.13 0.00 0.23 0.00 0.00 176.35 176.90 1wic s ARG 132 N -1.69 2.40 0.00 1.70 1.70 -1.26 -0.23 118.95 121.58 1wic s ARG 132 Ca 0.20 -0.79 -0.21 0.00 -0.47 0.00 0.00 55.73 54.46 1wic s ARG 132 Cb -0.11 -2.37 -0.05 0.00 -0.57 0.00 0.00 34.95 31.85 1wic s ARG 132 CO 0.11 0.59 0.62 0.00 -1.08 0.00 0.00 175.30 175.53 1wic s HIS 134 N -0.19 3.01 -0.02 0.00 2.46 0.40 -4.76 115.29 116.18 1wic s HIS 134 Ca 0.32 -0.32 0.04 0.00 0.47 0.00 0.00 55.06 55.56 1wic s HIS 134 Cb -0.18 -3.59 -0.00 0.00 -0.13 0.00 0.00 32.58 28.68 1wic s HIS 134 CO 0.18 -1.05 -0.13 0.95 -2.47 0.00 0.00 174.74 172.22 1wic s THR 135 N 2.92 1.03 -1.02 0.89 -4.23 -1.26 -4.62 115.64 109.34 1wic s THR 135 Ca 0.20 -0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1wic s THR 135 Cb -0.17 -0.88 0.29 0.00 1.34 0.00 0.00 72.50 73.08 1wic s THR 135 CO 0.15 0.30 1.31 1.33 -0.54 0.00 0.00 174.62 177.18 1wic n VAL 136 N 3.04 4.77 0.40 2.29 0.24 -1.26 -4.84 118.33 122.97 1wic n VAL 136 Ca -0.16 -5.75 -0.17 0.00 -2.04 0.00 0.00 64.34 56.22 1wic n VAL 136 Cb 0.54 -2.16 -0.08 0.00 -1.47 0.00 0.00 33.84 30.67 1wic n VAL 136 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wic h GLU 137 N 5.44 -0.98 -6.28 7.34 4.81 -1.99 -3.48 114.58 119.44 1wic h GLU 137 Ca 0.20 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1wic h GLU 137 Cb 0.66 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1wic h GLU 137 CO 1.21 -0.64 -0.93 0.43 -0.73 0.00 0.00 179.01 178.36 1wic n SER 138 N -5.48 -6.52 -3.92 1.04 7.64 -1.26 -5.00 113.62 100.12 1wic n SER 138 Ca -0.14 0.42 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 1wic n SER 138 Cb 0.41 -1.54 -0.09 0.00 -1.01 0.00 0.00 64.21 61.98 1wic n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wic s SER 139 N -0.93 0.16 -0.16 6.43 0.01 -1.26 -5.17 113.70 112.78 1wic s SER 139 Ca 0.00 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 1wic s SER 139 Cb 0.00 0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.60 1wic s SER 139 CO 0.00 -0.52 1.03 -1.59 0.41 0.00 0.00 173.24 172.57 1wic s LYS 140 N -2.63 0.55 0.74 12.44 0.00 -1.26 -5.18 119.74 124.41 1wic s LYS 140 Ca -0.05 0.08 -0.13 0.00 0.00 0.00 0.00 55.97 55.88 1wic s LYS 140 Cb -0.01 0.26 0.18 0.00 0.00 0.00 0.00 37.83 38.26 1wic s LYS 140 CO -0.05 -0.18 0.82 -0.35 0.00 0.00 0.00 175.35 175.59 1wic n PRO 141 N 0.58 -1.66 -1.27 1.78 -0.04 -1.26 -4.92 135.00 128.22 1wic n PRO 141 Ca -0.09 -1.28 0.15 0.00 -0.04 0.00 0.00 63.50 62.24 1wic n PRO 141 Cb 0.58 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.97 1wic n PRO 141 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wic n ASN 142 N -3.92 -6.84 -3.58 3.54 4.13 -1.26 -4.91 115.26 102.42 1wic n ASN 142 Ca 0.11 0.91 -0.17 0.00 1.68 0.00 0.00 54.58 57.10 1wic n ASN 142 Cb 0.39 -4.14 -0.14 0.00 -1.54 0.00 0.00 39.78 34.36 1wic n ASN 142 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wic s SER 143 N -6.47 1.03 -0.39 6.41 1.04 -1.26 -5.04 113.70 109.02 1wic s SER 143 Ca 0.00 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1wic s SER 143 Cb 0.00 0.40 0.28 0.00 0.10 0.00 0.00 66.02 66.79 1wic s SER 143 CO 0.00 -0.29 1.15 -0.11 0.98 0.00 0.00 173.24 174.97 1wic n LEU 144 N 5.33 -1.84 -3.60 2.42 7.94 -1.26 -5.16 117.00 120.82 1wic n LEU 144 Ca -0.05 -2.41 -0.03 0.00 -1.11 0.00 0.00 56.01 52.41 1wic n LEU 144 Cb 0.50 0.74 -0.02 0.00 0.53 0.00 0.00 43.42 45.17 1wic n LEU 144 CO 0.06 1.75 1.02 -0.32 -1.11 0.00 0.00 177.39 178.78 1wic s MET 145 N 0.28 0.35 -0.26 1.96 1.75 -1.26 -5.14 119.30 116.99 1wic s MET 145 Ca 0.27 -0.16 -0.04 0.00 -1.25 0.00 0.00 55.69 54.51 1wic s MET 145 Cb 0.23 0.15 0.09 0.00 2.84 0.00 0.00 34.83 38.14 1wic s MET 145 CO -0.14 -0.16 0.11 -0.51 -0.65 0.00 0.00 175.02 173.67 1wic s LEU 146 N -2.43 0.73 -0.23 4.11 1.02 -1.26 -5.11 118.68 115.51 1wic s LEU 146 Ca 0.11 -1.16 -0.37 0.00 0.02 0.00 0.00 54.13 52.73 1wic s LEU 146 Cb 0.01 -0.40 0.15 0.00 0.02 0.00 0.00 46.19 45.96 1wic s LEU 146 CO -0.04 -0.41 1.32 -0.55 0.02 0.00 0.00 176.35 176.68 1wic s SER 147 N 2.04 -0.06 0.00 2.29 0.15 -1.26 -5.11 113.70 111.75 1wic s SER 147 Ca 0.07 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wic s SER 147 Cb -0.16 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wic s SER 147 CO -0.28 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1wic n GLY 148 N -0.10 0.37 3.79 9.45 0.00 -1.26 -5.11 105.19 112.33 1wic n GLY 148 Ca 0.02 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1wic n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wic s PRO 149 N -0.64 1.25 1.00 1.61 0.04 -1.26 -4.99 135.00 132.02 1wic s PRO 149 Ca 0.00 0.33 -0.19 0.00 0.04 0.00 0.00 61.00 61.18 1wic s PRO 149 Cb 0.00 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 1wic s PRO 149 CO 0.00 -2.13 -0.74 0.43 0.04 0.00 0.00 177.00 174.60 1wic n SER 150 N -3.73 -4.68 -4.56 6.66 7.64 -1.26 -4.63 113.62 109.07 1wic n SER 150 Ca 0.07 0.15 -0.38 0.00 1.01 0.00 0.00 58.87 59.72 1wic n SER 150 Cb 0.59 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1wic n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wic s SER 151 N -1.19 4.80 0.00 6.43 0.15 -1.26 -5.31 113.70 117.32 1wic s SER 151 Ca 0.43 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1wic s SER 151 Cb -0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wic s SER 151 CO 0.76 -2.61 0.00 0.61 1.20 0.00 0.00 173.24 173.21