#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic n SER 2 N 0.00 -7.61 -2.80 1.61 7.64 -1.26 -5.04 113.62 106.16 1wic n SER 2 Ca 0.00 1.66 0.02 0.00 1.01 0.00 0.00 58.87 61.56 1wic n SER 2 Cb 0.00 -4.52 0.01 0.00 -1.01 0.00 0.00 64.21 58.68 1wic n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wic s SER 3 N -5.42 -0.26 0.06 6.43 1.04 -1.26 -5.07 113.70 109.22 1wic s SER 3 Ca 0.00 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 1wic s SER 3 Cb 0.00 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 1wic s SER 3 CO 0.00 -0.03 1.27 1.23 0.98 0.00 0.00 173.24 176.69 1wic h GLY 4 N 5.61 -1.36 -3.02 7.32 0.00 -2.09 -3.48 103.07 106.05 1wic h GLY 4 Ca -0.05 0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1wic h GLY 4 CO -0.09 -0.41 -0.77 -1.26 0.00 0.00 0.00 176.54 174.02 1wic n SER 5 N -3.97 -7.00 -3.26 0.19 2.88 -1.26 -5.00 113.62 96.20 1wic n SER 5 Ca -0.03 1.30 -0.07 0.00 -1.33 0.00 0.00 58.87 58.74 1wic n SER 5 Cb 0.18 -3.84 -0.04 0.00 -0.75 0.00 0.00 64.21 59.77 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 -4.16 -0.41 0.00 -3.46 0.01 -1.26 -5.11 113.70 99.31 1wic s SER 6 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1wic s SER 6 Cb 0.00 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1wic s SER 6 CO 0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1wic n GLY 7 N 4.27 1.48 2.84 3.44 0.00 -1.26 -5.04 105.19 110.91 1wic n GLY 7 Ca 0.12 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 3.84 -1.27 1.61 3.00 -1.26 -5.00 118.16 119.09 1wic n LYS 8 Ca 0.00 -4.59 0.07 0.00 -0.00 0.00 0.00 58.31 53.79 1wic n LYS 8 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 35.03 32.56 1wic n LYS 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1wic n LYS 9 N 1.23 -3.14 -2.41 1.64 5.02 -1.26 -4.73 118.16 114.51 1wic n LYS 9 Ca 0.27 2.50 -0.43 0.00 -2.02 0.00 0.00 58.31 58.64 1wic n LYS 9 Cb 0.36 -3.32 -0.02 0.00 -0.02 0.00 0.00 35.03 32.02 1wic n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wic s PRO 10 N -4.67 4.23 -0.56 1.97 0.04 -1.26 -4.95 135.00 129.81 1wic s PRO 10 Ca 0.00 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1wic s PRO 10 Cb 0.00 -3.77 0.27 0.00 0.04 0.00 0.00 34.50 31.04 1wic s PRO 10 CO 0.00 -0.71 0.72 -0.11 0.04 0.00 0.00 177.00 176.94 1wic n LEU 11 N 6.62 2.86 -4.88 -3.56 0.00 -1.26 -5.08 117.00 111.69 1wic n LEU 11 Ca 0.14 -5.28 -0.31 0.00 0.00 0.00 0.00 56.01 50.56 1wic n LEU 11 Cb 0.45 -0.26 -0.04 0.00 0.00 0.00 0.00 43.42 43.56 1wic n LEU 11 CO 0.56 2.12 0.31 -0.44 0.00 0.00 0.00 177.39 179.94 1wic s SER 12 N -2.33 6.58 0.07 1.96 0.01 -1.26 -4.98 113.70 113.75 1wic s SER 12 Ca 0.40 0.98 0.08 0.00 1.31 0.00 0.00 55.95 58.72 1wic s SER 12 Cb 0.19 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 1wic s SER 12 CO -0.06 -0.21 -0.21 0.68 0.41 0.00 0.00 173.24 173.85 1wic s VAL 13 N -2.06 1.69 -0.76 3.43 -7.23 -1.26 -0.16 120.40 114.04 1wic s VAL 13 Ca 0.49 -1.33 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 1wic s VAL 13 Cb -0.11 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 1wic s VAL 13 CO 0.25 0.10 1.65 0.12 -0.31 0.00 0.00 175.10 176.92 1wic s PHE 14 N -0.94 1.99 -0.66 2.82 5.36 0.40 -4.73 117.98 122.22 1wic s PHE 14 Ca 0.07 0.28 -0.26 0.00 -0.96 0.00 0.00 56.93 56.06 1wic s PHE 14 Cb -0.09 -4.32 -0.11 0.00 -0.34 0.00 0.00 43.02 38.15 1wic s PHE 14 CO 0.03 -2.08 2.42 1.63 -1.46 0.00 0.00 175.22 175.76 1wic n LYS 15 N 9.14 0.76 -3.18 10.12 4.01 -1.26 -2.89 118.16 134.86 1wic n LYS 15 Ca 0.21 -0.39 -0.31 0.00 -0.51 0.00 0.00 58.31 57.32 1wic n LYS 15 Cb 0.50 -3.43 -0.04 0.00 -0.51 0.00 0.00 35.03 31.55 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 11.20 2.09 0.41 0.72 0.00 -1.26 -4.98 107.32 115.50 1wic s GLY 16 Ca 0.98 -0.27 0.27 0.00 0.00 0.00 0.00 44.72 45.71 1wic s GLY 16 CO 0.20 -0.11 1.78 -0.56 0.00 0.00 0.00 173.10 174.41 1wic h PRO 17 N 1.90 0.00 0.00 2.90 0.13 -1.95 -3.41 132.00 131.57 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wic h PRO 17 CO 0.66 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.71 1wic n LEU 18 N -2.83 0.00 -4.41 1.56 4.77 -1.26 -4.74 117.00 110.10 1wic n LEU 18 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 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 -0.18 -0.46 -0.22 -1.33 0.00 0.00 177.39 175.49 1wic s LEU 19 N -3.20 2.67 0.55 2.23 1.98 -1.26 -1.41 118.68 120.23 1wic s LEU 19 Ca 0.00 -0.29 -0.15 0.00 -2.89 0.00 0.00 54.13 50.81 1wic s LEU 19 Cb 0.00 -1.57 -0.06 0.00 0.66 0.00 0.00 46.19 45.22 1wic s LEU 19 CO 0.00 0.25 1.00 -1.00 -1.89 0.00 0.00 176.35 174.71 1wic s HIS 20 N -0.15 3.50 -0.10 5.38 3.76 0.32 -4.17 115.29 123.82 1wic s HIS 20 Ca -0.01 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.32 1wic s HIS 20 Cb -0.14 -2.77 0.02 0.00 1.11 0.00 0.00 32.58 30.80 1wic s HIS 20 CO 0.03 -0.50 -0.11 0.42 -0.85 0.00 0.00 174.74 173.74 1wic s ILE 21 N -2.80 1.19 -0.06 0.60 -1.09 -1.14 -3.07 121.20 114.83 1wic s ILE 21 Ca 0.58 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 1wic s ILE 21 Cb -0.10 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.66 1wic s ILE 21 CO 0.39 0.39 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.99 1wic s SER 22 N 1.27 1.32 1.12 3.58 0.01 0.14 -0.46 113.70 120.69 1wic s SER 22 Ca -0.02 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.88 1wic s SER 22 Cb -0.14 -0.55 0.27 0.00 0.21 0.00 0.00 66.02 65.81 1wic s SER 22 CO -0.04 -0.07 1.22 -0.81 0.41 0.00 0.00 173.24 173.95 1wic n PRO 23 N 4.29 -2.21 0.00 12.44 -0.04 -1.26 0.72 135.00 148.95 1wic n PRO 23 Ca -0.20 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1wic n PRO 23 Cb 0.51 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -4.36 0.00 -3.09 0.55 0.00 0.77 -4.56 120.51 109.82 1wic n ALA 24 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.07 1wic n ALA 24 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.27 0.99 -3.15 0.00 0.00 -1.26 -4.61 120.64 112.34 1wic n GLU 25 Ca 0.00 -3.13 0.04 0.00 0.00 0.00 0.00 57.16 54.07 1wic n GLU 25 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 29.86 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1wic s GLU 26 N -2.00 0.50 -0.06 3.44 -1.05 -1.26 -3.69 118.70 114.58 1wic s GLU 26 Ca 0.36 0.70 -0.05 0.00 -0.15 0.00 0.00 54.97 55.83 1wic s GLU 26 Cb 0.34 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.36 1wic s GLU 26 CO -0.07 -0.74 0.17 -0.51 0.95 0.00 0.00 175.26 175.06 1wic s LEU 27 N 2.86 4.38 -0.41 1.83 1.43 0.30 -4.71 118.68 124.36 1wic s LEU 27 Ca 0.15 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1wic s LEU 27 Cb -0.12 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 43.89 1wic s LEU 27 CO -0.22 0.34 0.21 -0.31 0.23 0.00 0.00 176.35 176.59 1wic s TYR 28 N -1.17 1.92 0.88 0.29 2.02 -1.26 0.19 117.35 120.22 1wic s TYR 28 Ca 0.21 -2.29 -0.15 0.00 -0.37 0.00 0.00 57.07 54.47 1wic s TYR 28 Cb -0.12 -1.84 0.21 0.00 -0.40 0.00 0.00 41.96 39.80 1wic s TYR 28 CO 0.11 -0.80 1.03 1.19 -1.57 0.00 0.00 175.55 175.51 1wic n PHE 29 N 3.80 -3.91 -2.56 2.71 3.72 -1.26 -4.86 117.46 115.10 1wic n PHE 29 Ca 0.07 -0.92 -0.42 0.00 -0.05 0.00 0.00 57.45 56.13 1wic n PHE 29 Cb 0.36 -0.88 -0.03 0.00 -0.94 0.00 0.00 39.48 37.99 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 -4.98 2.24 0.57 1.37 0.00 -1.26 -4.81 107.32 100.46 1wic s GLY 30 Ca 0.61 0.53 -0.16 0.00 0.00 0.00 0.00 44.72 45.69 1wic s GLY 30 CO 0.44 2.07 1.05 -0.45 0.00 0.00 0.00 173.10 176.21 1wic s SER 31 N 1.29 5.94 1.08 1.64 0.15 -1.26 -3.85 113.70 118.70 1wic s SER 31 Ca 0.53 1.81 -0.13 0.00 0.70 0.00 0.00 55.95 58.86 1wic s SER 31 Cb -0.22 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.76 1wic s SER 31 CO 0.21 -1.06 0.46 0.00 1.20 0.00 0.00 173.24 174.05 1wic n ILE 32 N -1.83 0.00 0.00 6.45 3.06 -1.26 -2.73 119.36 123.05 1wic n ILE 32 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 1wic n ILE 32 Cb 0.53 -0.52 0.00 0.00 0.54 0.00 0.00 39.64 40.19 1wic n ILE 32 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1wic n GLU 33 N -2.84 0.00 0.00 9.51 1.02 -1.26 -3.70 120.64 123.37 1wic n GLU 33 Ca 0.07 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.32 1wic n GLU 33 Cb 0.32 0.00 0.55 0.00 -0.02 0.00 0.00 31.44 32.29 1wic n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wic n SER 34 N 1.65 0.00 0.00 1.62 2.88 -1.22 -4.97 113.62 113.58 1wic n SER 34 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wic n SER 34 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 0.51 -0.51 3.74 0.46 0.00 -1.10 -4.99 105.19 103.30 1wic n GLY 35 Ca 0.11 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 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 -5.21 2.70 0.19 1.61 0.41 -1.26 -4.15 118.70 112.99 1wic s GLU 36 Ca 0.00 1.95 0.01 0.00 -0.41 0.00 0.00 54.97 56.52 1wic s GLU 36 Cb 0.00 -1.88 -0.00 0.00 -1.78 0.00 0.00 34.13 30.47 1wic s GLU 36 CO 0.00 -1.45 0.02 1.63 -0.49 0.00 0.00 175.26 174.97 1wic n LYS 37 N -1.82 1.23 -4.94 1.61 4.76 -1.25 -4.79 118.16 112.96 1wic n LYS 37 Ca 0.15 -1.49 -0.27 0.00 -2.87 0.00 0.00 58.31 53.83 1wic n LYS 37 Cb 0.49 0.54 -0.15 0.00 -1.84 0.00 0.00 35.03 34.07 1wic n LYS 37 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1wic s LYS 38 N -2.71 1.65 -0.16 1.97 0.00 -1.26 -4.04 119.74 115.18 1wic s LYS 38 Ca 0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 55.97 55.11 1wic s LYS 38 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 37.83 36.14 1wic s LYS 38 CO 0.02 0.44 0.06 -0.08 0.00 0.00 0.00 175.35 175.80 1wic s THR 39 N -0.60 4.79 -0.21 3.79 -1.32 0.13 -4.89 115.64 117.34 1wic s THR 39 Ca 0.08 -0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.49 1wic s THR 39 Cb -0.08 -3.13 -0.01 0.00 -1.51 0.00 0.00 72.50 67.77 1wic s THR 39 CO 0.00 0.50 -0.07 -0.22 -2.21 0.00 0.00 174.62 172.63 1wic s LEU 40 N -0.01 2.81 0.22 9.08 2.96 -1.26 0.20 118.68 132.67 1wic s LEU 40 Ca 0.06 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1wic s LEU 40 Cb -0.12 -1.70 -0.07 0.00 0.50 0.00 0.00 46.19 44.79 1wic s LEU 40 CO 0.01 -0.00 0.58 -0.63 -1.32 0.00 0.00 176.35 174.99 1wic s ILE 41 N 1.35 4.87 -0.09 6.68 1.01 0.11 -4.75 121.20 130.37 1wic s ILE 41 Ca 0.04 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.37 1wic s ILE 41 Cb -0.14 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1wic s ILE 41 CO -0.04 -0.00 -0.17 -0.69 0.00 0.00 0.00 174.94 174.04 1wic s VAL 42 N -1.75 2.72 -0.27 2.92 1.01 0.22 -0.09 120.40 125.17 1wic s VAL 42 Ca 0.46 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1wic s VAL 42 Cb -0.12 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1wic s VAL 42 CO 0.20 0.56 -0.05 -0.76 0.00 0.00 0.00 175.10 175.05 1wic s LEU 43 N -0.04 3.29 -0.47 3.92 1.43 -0.99 0.28 118.68 126.10 1wic s LEU 43 Ca -0.04 -1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 51.44 1wic s LEU 43 Cb -0.14 -1.38 0.07 0.00 0.03 0.00 0.00 46.19 44.77 1wic s LEU 43 CO 0.04 -0.26 0.38 -0.89 0.23 0.00 0.00 176.35 175.86 1wic s THR 44 N 1.21 5.11 -0.33 5.49 2.01 -1.17 -0.92 115.64 127.03 1wic s THR 44 Ca -0.03 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 1wic s THR 44 Cb -0.19 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 1wic s THR 44 CO -0.07 -0.57 1.68 0.21 -0.69 0.00 0.00 174.62 175.17 1wic s ASN 45 N 2.56 6.08 -0.60 3.53 2.47 -0.81 -0.52 114.94 127.65 1wic s ASN 45 Ca 0.04 1.24 -0.00 0.00 0.42 0.00 0.00 52.86 54.56 1wic s ASN 45 Cb -0.24 -2.53 0.52 0.00 -1.45 0.00 0.00 41.25 37.55 1wic s ASN 45 CO 0.06 -1.57 2.00 1.33 -3.72 0.00 0.00 177.10 175.20 1wic n VAL 46 N 7.19 3.49 -4.53 -5.21 0.24 -0.50 -2.34 118.33 116.67 1wic n VAL 46 Ca 0.21 -2.59 -0.26 0.00 -2.04 0.00 0.00 64.34 59.65 1wic n VAL 46 Cb 0.47 -0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 31.80 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 -4.31 2.24 -0.34 3.34 -4.23 -1.24 -4.83 115.64 106.26 1wic s THR 47 Ca 0.62 -2.14 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1wic s THR 47 Cb 0.50 -2.73 0.71 0.00 1.34 0.00 0.00 72.50 72.32 1wic s THR 47 CO 0.03 -0.16 1.60 0.29 -0.54 0.00 0.00 174.62 175.84 1wic n LYS 48 N -0.85 4.34 -3.63 3.99 4.01 -1.26 -3.78 118.16 120.98 1wic n LYS 48 Ca -0.05 -2.75 -0.12 0.00 -0.51 0.00 0.00 58.31 54.88 1wic n LYS 48 Cb 0.64 -2.17 -0.06 0.00 -0.51 0.00 0.00 35.03 32.93 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1wic s ASN 49 N -0.69 -0.31 0.58 4.39 0.01 -1.26 -4.96 114.94 112.70 1wic s ASN 49 Ca 0.48 -0.04 -0.19 0.00 -0.71 0.00 0.00 52.86 52.39 1wic s ASN 49 Cb 0.37 0.46 -0.05 0.00 0.41 0.00 0.00 41.25 42.43 1wic s ASN 49 CO 0.14 -0.73 1.06 -0.38 -1.51 0.00 0.00 177.10 175.68 1wic n ILE 50 N 0.29 3.73 -3.81 0.60 5.41 -1.26 -4.16 119.36 120.17 1wic n ILE 50 Ca -0.18 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 62.86 1wic n ILE 50 Cb 0.61 -1.26 -0.17 0.00 -0.71 0.00 0.00 39.64 38.10 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 -1.44 0.30 -0.17 1.39 1.01 -0.96 0.26 120.40 120.79 1wic s VAL 51 Ca 0.75 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 1wic s VAL 51 Cb -0.43 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1wic s VAL 51 CO 0.48 0.23 1.08 0.00 0.00 0.00 0.00 175.10 176.89 1wic s ALA 52 N 1.81 3.59 0.12 5.51 0.00 -0.16 -0.53 121.76 132.09 1wic s ALA 52 Ca 0.02 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.37 1wic s ALA 52 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1wic s ALA 52 CO -0.04 -0.92 -0.11 -0.59 0.00 0.00 0.00 175.76 174.10 1wic s PHE 53 N 2.82 2.70 -0.08 0.00 -0.12 0.17 -1.36 117.98 122.12 1wic s PHE 53 Ca 0.48 -0.18 -0.03 0.00 -0.05 0.00 0.00 56.93 57.15 1wic s PHE 53 Cb -0.18 -1.40 0.04 0.00 -0.63 0.00 0.00 43.02 40.85 1wic s PHE 53 CO 0.12 0.43 0.17 0.15 -0.05 0.00 0.00 175.22 176.05 1wic s LYS 54 N -2.29 0.10 -0.25 1.99 1.02 -0.48 -2.92 119.74 116.91 1wic s LYS 54 Ca 0.21 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.60 1wic s LYS 54 Cb -0.11 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 1wic s LYS 54 CO 0.14 -0.21 0.08 0.08 -0.92 0.00 0.00 175.35 174.52 1wic s VAL 55 N 1.55 4.40 0.39 3.17 1.01 -1.26 0.20 120.40 129.86 1wic s VAL 55 Ca -0.05 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1wic s VAL 55 Cb -0.12 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1wic s VAL 55 CO -0.07 0.33 0.04 -0.13 0.00 0.00 0.00 175.10 175.28 1wic s ARG 56 N 1.61 1.88 0.29 2.72 3.00 0.48 -4.86 118.95 124.08 1wic s ARG 56 Ca 0.06 -2.10 -0.20 0.00 0.00 0.00 0.00 55.73 53.50 1wic s ARG 56 Cb -0.15 -1.18 0.02 0.00 0.00 0.00 0.00 34.95 33.64 1wic s ARG 56 CO 0.04 -0.22 0.73 -0.08 0.00 0.00 0.00 175.30 175.77 1wic s THR 57 N -3.03 0.00 -0.69 0.02 -1.32 -1.26 0.62 115.64 109.97 1wic s THR 57 Ca 0.29 -1.01 0.05 0.00 -1.21 0.00 0.00 61.69 59.81 1wic s THR 57 Cb 0.07 -2.13 0.30 0.00 -1.51 0.00 0.00 72.50 69.23 1wic s THR 57 CO 0.14 0.00 0.99 0.35 -2.21 0.00 0.00 174.62 173.89 1wic n THR 58 N -0.47 1.07 -2.71 5.08 -2.24 -1.12 -4.23 114.28 109.67 1wic n THR 58 Ca -0.05 -0.53 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 1wic n THR 58 Cb 0.59 -0.44 0.05 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.71 0.41 6.98 0.00 -1.26 -4.99 120.51 119.15 1wic n ALA 59 Ca 0.11 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 53.02 1wic n ALA 59 Cb 0.62 -2.40 0.44 0.00 0.00 0.00 0.00 19.45 18.12 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 3.96 0.00 -0.94 0.00 0.13 -1.84 -2.60 132.00 130.71 1wic h PRO 60 Ca -0.10 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.68 1wic h PRO 60 Cb 1.13 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 1wic h PRO 60 CO 0.01 0.00 0.43 -0.85 -0.23 0.00 0.00 178.00 177.36 1wic n GLU 61 N -2.59 2.37 0.00 0.86 0.28 -1.26 -4.21 120.64 116.09 1wic n GLU 61 Ca 0.03 -2.42 0.00 0.00 -0.16 0.00 0.00 57.16 54.62 1wic n GLU 61 Cb 0.36 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.26 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 -0.58 0.00 -3.77 3.44 5.02 -1.10 -4.97 118.16 116.19 1wic n LYS 62 Ca 0.43 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.36 1wic n LYS 62 Cb 1.36 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 36.22 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 -1.89 3.27 -0.56 2.13 2.02 -1.00 0.53 117.35 121.85 1wic s TYR 63 Ca 0.00 0.10 -0.23 0.00 -0.37 0.00 0.00 57.07 56.57 1wic s TYR 63 Cb 0.00 -2.21 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 1wic s TYR 63 CO 0.00 0.04 0.91 0.50 -1.57 0.00 0.00 175.55 175.43 1wic s ARG 64 N 0.91 3.28 -0.21 -0.62 3.00 0.50 -4.71 118.95 121.11 1wic s ARG 64 Ca 0.06 -0.41 -0.10 0.00 -1.00 0.00 0.00 55.73 54.29 1wic s ARG 64 Cb -0.13 -4.08 -0.05 0.00 0.00 0.00 0.00 34.95 30.69 1wic s ARG 64 CO 0.03 -1.49 0.12 0.08 0.00 0.00 0.00 175.30 174.04 1wic s VAL 65 N 3.80 5.25 -0.28 7.11 1.01 -1.26 -2.51 120.40 133.52 1wic s VAL 65 Ca 0.27 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1wic s VAL 65 Cb -0.14 -3.41 0.10 0.00 0.00 0.00 0.00 36.38 32.93 1wic s VAL 65 CO 0.17 0.42 0.78 -0.75 0.00 0.00 0.00 175.10 175.72 1wic s LYS 66 N 0.57 0.64 0.12 2.72 2.20 -0.84 -3.34 119.74 121.81 1wic s LYS 66 Ca 0.07 1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.42 1wic s LYS 66 Cb -0.12 0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.30 1wic s LYS 66 CO 0.00 -0.12 1.14 -1.25 -0.36 0.00 0.00 175.35 174.76 1wic s PRO 67 N 1.35 4.51 -0.44 4.03 0.04 -1.25 -0.50 135.00 142.74 1wic s PRO 67 Ca -0.08 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1wic s PRO 67 Cb -0.05 -3.32 0.45 0.00 0.04 0.00 0.00 34.50 31.63 1wic s PRO 67 CO -0.16 -0.09 1.48 -1.13 0.04 0.00 0.00 177.00 177.15 1wic n SER 68 N 3.14 5.88 0.00 6.66 3.41 -1.21 -4.71 113.62 126.78 1wic n SER 68 Ca 0.06 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 1wic n SER 68 Cb 0.46 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1wic n SER 68 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wic n ASN 69 N -0.75 0.00 -0.54 4.04 5.15 -1.26 -4.56 115.26 117.33 1wic n ASN 69 Ca 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1wic n ASN 69 Cb 0.82 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wic n SER 70 N 0.00 0.00 -4.05 1.20 2.88 -1.15 -4.99 113.62 107.51 1wic n SER 70 Ca 0.00 -0.54 -0.11 0.00 -1.33 0.00 0.00 58.87 56.88 1wic n SER 70 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.37 0.66 -0.21 -3.46 1.04 -1.26 -0.65 113.70 110.19 1wic s SER 71 Ca 0.00 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 1wic s SER 71 Cb 0.00 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1wic s SER 71 CO 0.00 -0.29 -0.04 0.00 0.98 0.00 0.00 173.24 173.89 1wic s ASP 73 N 1.30 2.65 0.39 0.00 1.11 -1.26 -2.25 116.67 118.61 1wic s ASP 73 Ca 0.04 1.99 -0.24 0.00 0.18 0.00 0.00 52.55 54.51 1wic s ASP 73 Cb -0.14 -2.49 -0.09 0.00 1.07 0.00 0.00 42.92 41.27 1wic s ASP 73 CO -0.02 -3.24 1.06 -2.16 1.18 0.00 0.00 175.17 171.99 1wic s PRO 74 N -4.64 4.18 -1.27 8.23 0.04 -1.26 -3.33 135.00 136.95 1wic s PRO 74 Ca 0.66 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 1wic s PRO 74 Cb -0.23 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1wic s PRO 74 CO 0.59 -0.13 0.04 0.41 0.04 0.00 0.00 177.00 177.95 1wic n GLY 75 N 0.40 -0.25 3.23 0.56 0.00 -0.99 -4.98 105.19 103.17 1wic n GLY 75 Ca 0.05 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.84 0.54 -3.26 4.61 0.00 -1.21 -5.03 120.51 114.32 1wic n ALA 76 Ca -0.17 -1.89 -0.13 0.00 0.00 0.00 0.00 53.44 51.25 1wic n ALA 76 Cb 0.63 1.53 -0.13 0.00 0.00 0.00 0.00 19.45 21.48 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 -3.30 -0.11 0.44 0.00 1.04 -1.26 -1.93 113.70 108.58 1wic s SER 77 Ca 0.38 0.24 0.08 0.00 0.48 0.00 0.00 55.95 57.13 1wic s SER 77 Cb 0.01 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wic s SER 77 CO 0.27 -0.08 0.45 -0.51 0.98 0.00 0.00 173.24 174.35 1wic s ILE 78 N 0.45 2.60 -0.10 -1.02 2.07 -0.10 -4.92 121.20 120.17 1wic s ILE 78 Ca -0.03 -1.26 -0.01 0.00 -1.41 0.00 0.00 60.65 57.93 1wic s ILE 78 Cb -0.05 -2.86 0.03 0.00 0.13 0.00 0.00 42.46 39.71 1wic s ILE 78 CO -0.02 0.00 -0.04 1.51 -1.91 0.00 0.00 174.94 174.48 1wic s ASP 79 N -4.23 2.04 -0.50 4.50 -4.77 -1.26 -2.35 116.67 110.10 1wic s ASP 79 Ca 0.49 -0.27 -0.05 0.00 -3.30 0.00 0.00 52.55 49.43 1wic s ASP 79 Cb -0.05 -0.69 0.13 0.00 -1.09 0.00 0.00 42.92 41.23 1wic s ASP 79 CO 0.29 -0.16 0.33 -0.63 0.70 0.00 0.00 175.17 175.70 1wic s ILE 80 N 1.81 3.73 0.31 2.11 -1.09 0.87 -3.91 121.20 125.03 1wic s ILE 80 Ca 0.04 -2.25 -0.29 0.00 -2.23 0.00 0.00 60.65 55.93 1wic s ILE 80 Cb -0.13 -3.48 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1wic s ILE 80 CO -0.07 -0.78 1.18 -0.63 -1.23 0.00 0.00 174.94 173.41 1wic s ILE 81 N 0.83 3.19 -0.08 2.92 1.09 0.34 0.04 121.20 129.53 1wic s ILE 81 Ca 0.10 1.17 -0.01 0.00 -1.10 0.00 0.00 60.65 60.81 1wic s ILE 81 Cb -0.22 -3.73 0.03 0.00 -1.06 0.00 0.00 42.46 37.47 1wic s ILE 81 CO -0.03 0.26 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.35 1wic s VAL 82 N -1.19 0.56 -0.09 2.92 1.01 0.52 -1.98 120.40 122.15 1wic s VAL 82 Ca 0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 1wic s VAL 82 Cb -0.34 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1wic s VAL 82 CO 0.45 0.28 0.23 -0.55 0.00 0.00 0.00 175.10 175.50 1wic s SER 83 N 1.78 -0.23 0.94 3.32 0.15 -1.04 0.21 113.70 118.82 1wic s SER 83 Ca 0.03 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 57.00 1wic s SER 83 Cb -0.13 0.45 0.16 0.00 -1.71 0.00 0.00 66.02 64.80 1wic s SER 83 CO -0.05 -0.08 1.15 -2.16 1.20 0.00 0.00 173.24 173.30 1wic s PRO 84 N 0.19 0.86 0.94 5.44 0.04 -1.26 0.19 135.00 141.40 1wic s PRO 84 Ca -0.01 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 1wic s PRO 84 Cb -0.02 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.89 1wic s PRO 84 CO -0.00 -2.37 1.31 -1.01 0.04 0.00 0.00 177.00 174.97 1wic s HIS 85 N -3.32 1.71 -0.60 0.56 3.76 0.19 -4.72 115.29 112.88 1wic s HIS 85 Ca 0.65 0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 55.88 1wic s HIS 85 Cb -0.13 -4.05 0.14 0.00 1.11 0.00 0.00 32.58 29.65 1wic s HIS 85 CO 0.53 -2.56 2.56 0.41 -0.85 0.00 0.00 174.74 174.83 1wic n GLY 86 N -3.71 4.70 1.24 -2.22 0.00 -1.26 -3.92 105.19 100.03 1wic n GLY 86 Ca 0.15 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 0.55 -0.61 2.90 -0.02 0.00 -1.26 -5.16 105.19 101.60 1wic n GLY 87 Ca 0.51 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.10 0.00 -4.11 0.99 -0.00 -1.25 -5.18 117.00 107.34 1wic n LEU 88 Ca -0.02 -0.46 -0.12 0.00 -0.00 0.00 0.00 56.01 55.41 1wic n LEU 88 Cb 0.45 1.51 -0.07 0.00 -0.00 0.00 0.00 43.42 45.31 1wic n LEU 88 CO -0.01 -0.15 -0.02 0.28 -0.00 0.00 0.00 177.39 177.48 1wic s THR 89 N -2.08 0.00 -0.36 1.47 -1.32 -1.26 -4.74 115.64 107.35 1wic s THR 89 Ca 0.21 -1.72 -0.17 0.00 -1.21 0.00 0.00 61.69 58.80 1wic s THR 89 Cb -0.01 -2.41 -0.00 0.00 -1.51 0.00 0.00 72.50 68.57 1wic s THR 89 CO 0.00 0.00 0.46 0.54 -2.21 0.00 0.00 174.62 173.41 1wic s VAL 90 N -3.89 5.07 0.56 5.08 0.11 -1.26 -5.04 120.40 121.02 1wic s VAL 90 Ca 0.32 0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 59.41 1wic s VAL 90 Cb 0.03 -3.94 0.13 0.00 -1.53 0.00 0.00 36.38 31.07 1wic s VAL 90 CO 0.13 -0.22 0.75 -1.20 -3.33 0.00 0.00 175.10 171.23 1wic n SER 91 N 5.63 -0.00 0.06 3.54 7.64 -1.26 -4.87 113.62 124.35 1wic n SER 91 Ca -0.06 -1.26 0.07 0.00 1.01 0.00 0.00 58.87 58.63 1wic n SER 91 Cb 0.49 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 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 -3.51 2.35 0.08 -0.43 0.00 -1.26 -3.99 120.51 113.75 1wic n ALA 92 Ca -0.12 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 1wic n ALA 92 Cb 0.33 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 1wic n ALA 92 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1wic h GLN 93 N 0.00 0.16 -5.85 0.00 1.08 -1.94 -3.41 115.11 105.15 1wic h GLN 93 Ca -0.07 -0.27 -0.66 0.00 -1.45 0.00 0.00 58.65 56.21 1wic h GLN 93 Cb 1.22 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.72 1wic h GLN 93 CO 0.01 1.10 1.46 -3.47 -0.95 0.00 0.00 178.83 176.98 1wic n ASP 94 N -3.43 1.64 -4.89 1.46 2.03 -1.26 -4.90 116.55 107.20 1wic n ASP 94 Ca -0.06 0.37 -0.31 0.00 0.52 0.00 0.00 54.79 55.30 1wic n ASP 94 Cb 1.00 -1.17 -0.05 0.00 -0.72 0.00 0.00 41.12 40.18 1wic n ASP 94 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1wic s ARG 95 N 6.66 3.34 0.12 -0.67 6.06 -1.26 -4.12 118.95 129.08 1wic s ARG 95 Ca 1.14 -0.48 0.08 0.00 -2.50 0.00 0.00 55.73 53.97 1wic s ARG 95 Cb -0.98 -2.99 -0.04 0.00 0.06 0.00 0.00 34.95 31.00 1wic s ARG 95 CO 0.51 0.61 -0.10 -0.06 -2.50 0.00 0.00 175.30 173.75 1wic s PHE 96 N -1.48 2.70 -0.01 5.12 0.08 -0.08 -2.79 117.98 121.53 1wic s PHE 96 Ca 0.33 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.23 1wic s PHE 96 Cb -0.13 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1wic s PHE 96 CO 0.26 0.44 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.55 1wic s LEU 97 N -2.35 1.96 -0.05 -0.37 1.98 0.20 0.85 118.68 120.89 1wic s LEU 97 Ca 0.22 -0.19 0.00 0.00 -2.89 0.00 0.00 54.13 51.27 1wic s LEU 97 Cb -0.11 -0.55 0.02 0.00 0.66 0.00 0.00 46.19 46.22 1wic s LEU 97 CO 0.14 0.11 -0.03 -0.63 -1.89 0.00 0.00 176.35 174.05 1wic s ILE 98 N -0.13 0.49 0.17 6.68 1.01 0.30 0.18 121.20 129.90 1wic s ILE 98 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.67 1wic s ILE 98 Cb -0.05 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1wic s ILE 98 CO -0.00 0.23 0.17 -0.04 0.00 0.00 0.00 174.94 175.30 1wic s MET 99 N 1.21 2.98 -0.30 2.79 -1.94 0.54 0.91 119.30 125.48 1wic s MET 99 Ca -0.07 -0.86 -0.10 0.00 -1.71 0.00 0.00 55.69 52.96 1wic s MET 99 Cb -0.14 -2.68 0.14 0.00 2.01 0.00 0.00 34.83 34.16 1wic s MET 99 CO -0.02 0.48 0.69 0.00 -0.01 0.00 0.00 175.02 176.16 1wic s ALA 100 N -1.80 -2.16 -0.04 3.03 0.00 0.62 -1.38 121.76 120.03 1wic s ALA 100 Ca 0.32 2.26 0.02 0.00 0.00 0.00 0.00 51.96 54.55 1wic s ALA 100 Cb -0.10 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1wic s ALA 100 CO 0.24 -0.98 -0.08 0.00 0.00 0.00 0.00 175.76 174.95 1wic s ALA 101 N 2.84 0.90 -0.22 0.00 0.00 -0.46 -1.18 121.76 123.64 1wic s ALA 101 Ca -0.03 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1wic s ALA 101 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1wic s ALA 101 CO -0.19 0.08 1.64 -2.00 0.00 0.00 0.00 175.76 175.29 1wic s GLU 102 N 0.59 3.76 0.72 0.00 2.12 -1.26 -0.99 118.70 123.64 1wic s GLU 102 Ca -0.10 1.66 -0.06 0.00 0.36 0.00 0.00 54.97 56.84 1wic s GLU 102 Cb -0.13 -4.05 0.09 0.00 0.26 0.00 0.00 34.13 30.29 1wic s GLU 102 CO 0.01 -1.34 1.02 -1.64 -0.54 0.00 0.00 175.26 172.78 1wic s MET 103 N 4.76 1.95 0.00 4.30 -1.94 0.14 -4.94 119.30 123.57 1wic s MET 103 Ca 0.73 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1wic s MET 103 Cb -0.25 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.40 1wic s MET 103 CO 0.30 -1.37 0.00 0.39 -0.01 0.00 0.00 175.02 174.33 1wic n GLU 104 N -2.95 3.17 0.00 2.03 1.02 -1.26 -4.40 120.64 118.24 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 1.04 1.18 0.00 0.00 177.13 179.35 1wic n GLN 105 N 0.00 0.00 -2.01 3.49 6.02 -1.26 -4.14 117.38 119.49 1wic n GLN 105 Ca 0.00 0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.68 1wic n GLN 105 Cb 0.00 -0.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.81 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wic s SER 106 N -1.99 5.50 -0.15 1.08 0.01 -1.26 -4.82 113.70 112.07 1wic s SER 106 Ca 0.00 0.77 0.01 0.00 1.31 0.00 0.00 55.95 58.04 1wic s SER 106 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wic s SER 106 CO 0.00 -2.12 -0.19 -0.94 0.41 0.00 0.00 173.24 170.40 1wic s SER 107 N 7.43 3.38 0.00 2.44 1.04 -1.26 -4.98 113.70 121.75 1wic s SER 107 Ca 0.74 -0.54 0.27 0.00 0.48 0.00 0.00 55.95 56.89 1wic s SER 107 Cb -0.17 -1.50 0.80 0.00 0.10 0.00 0.00 66.02 65.25 1wic s SER 107 CO 0.26 0.08 1.61 0.61 0.98 0.00 0.00 173.24 176.79 1wic n GLY 108 N 4.06 -1.28 4.03 7.32 0.00 -1.26 -4.95 105.19 113.10 1wic n GLY 108 Ca -0.19 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.43 -1.93 -3.19 2.61 -2.24 -1.26 -4.92 114.28 101.92 1wic n THR 109 Ca 0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wic n THR 109 Cb 0.33 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 -1.97 6.84 0.10 3.38 0.00 -1.26 -4.88 105.19 107.40 1wic n GLY 110 Ca -0.12 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 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 0.17 0.17 1.61 0.13 -1.95 -2.97 132.00 129.16 1wic h PRO 111 Ca 0.00 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 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 -0.08 0.00 -0.23 0.00 0.00 178.00 178.57 1wic h ALA 112 N 0.30 -0.32 -0.74 -0.56 0.00 -1.97 -2.16 119.26 113.81 1wic h ALA 112 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1wic h ALA 112 Cb 0.95 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1wic h ALA 112 CO 0.04 -0.30 -0.29 0.39 0.00 0.00 0.00 179.25 179.09 1wic n GLU 113 N -3.92 -0.18 0.42 0.00 4.71 -1.26 0.19 120.64 120.60 1wic n GLU 113 Ca -0.03 1.14 -0.17 0.00 -0.01 0.00 0.00 57.16 58.09 1wic n GLU 113 Cb 0.09 -1.69 -0.08 0.00 -1.01 0.00 0.00 31.44 28.75 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 -0.94 -1.47 -4.62 3.38 -1.63 0.17 115.31 110.21 1wic h LEU 114 Ca 0.25 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.59 1wic h LEU 114 Cb 0.44 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1wic h LEU 114 CO -0.73 -0.65 0.75 0.28 0.09 0.00 0.00 178.44 178.18 1wic h SER 115 N -1.07 0.32 0.37 -0.43 0.02 0.33 1.91 113.55 115.00 1wic h SER 115 Ca -0.11 0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 1wic h SER 115 Cb 0.83 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1wic h SER 115 CO 0.17 -0.00 -0.62 1.56 -1.14 0.00 0.00 176.83 176.79 1wic h GLN 116 N 0.25 0.25 0.00 3.45 4.20 0.27 0.22 115.11 123.75 1wic h GLN 116 Ca 0.66 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 59.05 1wic h GLN 116 Cb 1.94 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.72 1wic h GLN 116 CO -0.29 0.79 -1.02 0.35 -0.67 0.00 0.00 178.83 177.99 1wic h PHE 117 N 0.18 0.00 0.00 2.96 3.57 0.52 -1.58 116.94 122.59 1wic h PHE 117 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1wic h PHE 117 Cb 1.14 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1wic h PHE 117 CO 0.02 0.59 -0.74 -1.49 -2.23 0.00 0.00 178.31 174.46 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.23 0.66 115.95 121.31 1wic h TRP 118 Ca -0.09 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.68 1wic h TRP 118 Cb 1.53 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.66 1wic h TRP 118 CO 0.00 0.30 -1.33 1.57 -3.56 0.00 0.00 178.44 175.42 1wic h LYS 119 N 0.00 0.00 0.11 0.49 5.09 -0.59 -3.35 116.57 118.32 1wic h LYS 119 Ca -0.04 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.36 1wic h LYS 119 Cb 1.27 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.58 1wic h LYS 119 CO 0.03 0.37 -1.83 0.93 -2.09 0.00 0.00 179.45 176.87 1wic h GLU 120 N 0.00 0.23 -6.38 0.07 5.08 -1.32 -3.46 114.58 108.81 1wic h GLU 120 Ca -0.16 -0.40 -0.54 0.00 -1.00 0.00 0.00 59.36 57.26 1wic h GLU 120 Cb 1.63 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1wic h GLU 120 CO 0.06 1.08 0.88 0.54 -1.00 0.00 0.00 179.01 180.57 1wic s VAL 121 N -2.58 3.56 0.55 3.13 0.11 0.22 -4.99 120.40 120.42 1wic s VAL 121 Ca -0.16 0.95 -0.17 0.00 -2.93 0.00 0.00 61.98 59.67 1wic s VAL 121 Cb 0.07 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.25 1wic s VAL 121 CO 0.81 -0.01 1.04 -2.16 -3.33 0.00 0.00 175.10 171.45 1wic s PRO 122 N 2.55 3.52 0.47 1.54 0.04 -1.26 -4.82 135.00 137.04 1wic s PRO 122 Ca 0.66 1.23 0.27 0.00 0.04 0.00 0.00 61.00 63.20 1wic s PRO 122 Cb -0.33 -2.06 1.48 0.00 0.04 0.00 0.00 34.50 33.63 1wic s PRO 122 CO 0.28 -0.65 1.82 0.07 0.04 0.00 0.00 177.00 178.55 1wic h ARG 123 N 0.81 0.00 0.00 4.56 -0.00 -1.94 0.88 114.38 118.69 1wic h ARG 123 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.48 1wic h ARG 123 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.18 1wic h ARG 123 CO 0.58 0.00 -0.10 -0.97 -0.00 0.00 0.00 179.97 179.48 1wic h ASN 124 N 0.00 0.00 0.00 0.08 -1.24 -2.01 -3.10 115.58 109.31 1wic h ASN 124 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1wic h ASN 124 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1wic h ASN 124 CO 0.00 0.10 -1.04 0.29 -1.29 0.00 0.00 177.43 175.49 1wic n LYS 125 N -3.13 1.18 -2.53 6.67 4.76 0.28 -4.87 118.16 120.52 1wic n LYS 125 Ca 0.03 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1wic n LYS 125 Cb 0.55 -1.33 -0.03 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 -2.75 3.91 -0.69 -0.18 1.01 0.15 -4.58 120.40 117.28 1wic s VAL 126 Ca 0.03 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 62.52 1wic s VAL 126 Cb 0.12 -4.69 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1wic s VAL 126 CO 0.71 -1.38 1.24 -0.32 0.00 0.00 0.00 175.10 175.35 1wic s MET 127 N 5.21 3.29 -0.22 2.72 1.75 -0.32 -4.89 119.30 126.85 1wic s MET 127 Ca 0.44 -0.10 -0.10 0.00 -1.25 0.00 0.00 55.69 54.69 1wic s MET 127 Cb -0.08 -4.13 -0.05 0.00 2.84 0.00 0.00 34.83 33.41 1wic s MET 127 CO 0.24 -1.99 0.13 -1.21 -0.65 0.00 0.00 175.02 171.54 1wic s GLU 128 N 5.44 4.08 -0.21 4.11 2.02 -1.26 -0.27 118.70 132.62 1wic s GLU 128 Ca 0.37 -0.27 -0.00 0.00 0.02 0.00 0.00 54.97 55.09 1wic s GLU 128 Cb -0.08 -3.44 0.05 0.00 0.10 0.00 0.00 34.13 30.77 1wic s GLU 128 CO 0.18 0.17 -0.04 -1.58 0.02 0.00 0.00 175.26 174.02 1wic s HIS 129 N 0.72 1.95 0.22 1.61 2.46 0.26 -4.94 115.29 117.56 1wic s HIS 129 Ca 0.07 -1.39 -0.27 0.00 0.47 0.00 0.00 55.06 53.94 1wic s HIS 129 Cb -0.12 -1.40 -0.09 0.00 -0.13 0.00 0.00 32.58 30.83 1wic s HIS 129 CO 0.01 -0.70 0.86 1.03 -2.47 0.00 0.00 174.74 173.47 1wic s ARG 130 N 1.55 4.65 0.07 2.88 3.00 -1.26 -0.54 118.95 129.30 1wic s ARG 130 Ca -0.03 1.28 0.08 0.00 0.00 0.00 0.00 55.73 57.06 1wic s ARG 130 Cb -0.17 -3.16 -0.04 0.00 0.00 0.00 0.00 34.95 31.58 1wic s ARG 130 CO -0.07 0.49 -0.18 -0.51 0.00 0.00 0.00 175.30 175.03 1wic s LEU 131 N -1.38 2.65 0.35 2.53 1.43 0.25 -4.74 118.68 119.77 1wic s LEU 131 Ca 0.41 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1wic s LEU 131 Cb -0.23 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1wic s LEU 131 CO 0.28 0.22 0.52 -0.13 0.23 0.00 0.00 176.35 177.47 1wic s ARG 132 N -1.73 3.24 -0.23 1.70 1.81 -1.24 -0.90 118.95 121.61 1wic s ARG 132 Ca 0.16 -0.67 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 1wic s ARG 132 Cb -0.11 -2.72 0.04 0.00 -0.45 0.00 0.00 34.95 31.71 1wic s ARG 132 CO 0.07 0.06 -0.13 0.00 -0.68 0.00 0.00 175.30 174.62 1wic s HIS 134 N 1.22 3.02 0.23 0.00 2.46 0.51 -4.64 115.29 118.08 1wic s HIS 134 Ca -0.02 -0.86 0.01 0.00 0.47 0.00 0.00 55.06 54.66 1wic s HIS 134 Cb -0.17 -3.88 -0.04 0.00 -0.13 0.00 0.00 32.58 28.37 1wic s HIS 134 CO -0.08 -1.22 0.17 -0.08 -2.47 0.00 0.00 174.74 171.07 1wic s THR 135 N 2.64 0.00 0.96 0.89 -1.32 -1.26 -4.07 115.64 113.47 1wic s THR 135 Ca 0.12 -1.99 -0.16 0.00 -1.21 0.00 0.00 61.69 58.45 1wic s THR 135 Cb -0.23 -2.50 0.25 0.00 -1.51 0.00 0.00 72.50 68.51 1wic s THR 135 CO 0.08 0.00 0.63 1.33 -2.21 0.00 0.00 174.62 174.45 1wic n VAL 136 N -0.36 0.00 0.00 5.08 0.24 -1.26 -3.97 118.33 118.06 1wic n VAL 136 Ca 0.03 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1wic n VAL 136 Cb 0.65 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 1wic n VAL 136 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wic n GLU 137 N -4.39 0.00 -1.28 7.34 -0.58 -1.26 -4.66 120.64 115.81 1wic n GLU 137 Ca 0.10 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.00 1wic n GLU 137 Cb 0.41 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.21 1wic n GLU 137 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wic n SER 138 N 2.29 -7.67 -3.77 1.62 7.64 -1.25 -4.85 113.62 107.62 1wic n SER 138 Ca 0.00 0.95 -0.25 0.00 1.01 0.00 0.00 58.87 60.57 1wic n SER 138 Cb 0.00 -4.17 0.20 0.00 -1.01 0.00 0.00 64.21 59.22 1wic n SER 138 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wic n SER 139 N -4.11 -3.02 -2.18 6.43 3.41 -1.26 -4.72 113.62 108.18 1wic n SER 139 Ca -0.04 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1wic n SER 139 Cb 0.60 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1wic n SER 139 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wic n LYS 140 N -3.03 -4.66 -1.51 4.33 5.02 -1.26 -5.00 118.16 112.04 1wic n LYS 140 Ca 0.06 3.43 -0.30 0.00 -2.02 0.00 0.00 58.31 59.48 1wic n LYS 140 Cb 0.49 -4.23 0.21 0.00 -0.02 0.00 0.00 35.03 31.48 1wic n LYS 140 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wic s PRO 141 N -0.79 -0.28 1.00 1.97 0.04 -1.26 -4.97 135.00 130.70 1wic s PRO 141 Ca 0.00 -0.24 -0.17 0.00 0.04 0.00 0.00 61.00 60.63 1wic s PRO 141 Cb 0.00 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.68 1wic s PRO 141 CO 0.00 -3.05 -0.73 0.09 0.04 0.00 0.00 177.00 173.35 1wic n ASN 142 N -4.26 -5.79 0.07 6.66 4.13 -1.26 -4.82 115.26 109.99 1wic n ASN 142 Ca 0.14 0.19 -0.15 0.00 1.68 0.00 0.00 54.58 56.45 1wic n ASN 142 Cb 0.59 -0.79 -0.08 0.00 -1.54 0.00 0.00 39.78 37.96 1wic n ASN 142 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1wic h SER 143 N -1.03 -1.43 -5.59 6.41 0.87 -2.03 -3.45 113.55 107.30 1wic h SER 143 Ca -0.44 0.16 -0.26 0.00 -1.23 0.00 0.00 61.79 60.02 1wic h SER 143 Cb 1.30 0.55 -0.12 0.00 -0.44 0.00 0.00 62.40 63.68 1wic h SER 143 CO 0.24 -0.50 -0.43 -1.48 -0.53 0.00 0.00 176.83 174.13 1wic s LEU 144 N -10.29 1.11 -0.29 2.23 0.05 -1.26 -5.17 118.68 105.06 1wic s LEU 144 Ca -0.16 -1.41 -0.16 0.00 0.05 0.00 0.00 54.13 52.45 1wic s LEU 144 Cb 0.07 0.84 0.17 0.00 -2.05 0.00 0.00 46.19 45.22 1wic s LEU 144 CO 0.63 -1.02 1.07 -0.32 -0.55 0.00 0.00 176.35 176.16 1wic s MET 145 N -3.79 0.26 -0.05 1.48 1.75 -1.26 -5.08 119.30 112.60 1wic s MET 145 Ca 0.35 0.49 -0.01 0.00 -1.25 0.00 0.00 55.69 55.28 1wic s MET 145 Cb 0.03 0.13 -0.00 0.00 2.84 0.00 0.00 34.83 37.84 1wic s MET 145 CO 0.16 -0.06 -0.01 -0.07 -0.65 0.00 0.00 175.02 174.39 1wic h LEU 146 N 6.22 0.00 -3.33 4.11 3.38 -2.04 -3.49 115.31 120.17 1wic h LEU 146 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1wic h LEU 146 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1wic h LEU 146 CO 0.17 0.24 -0.89 -0.24 0.09 0.00 0.00 178.44 177.81 1wic n SER 147 N -3.25 -6.69 0.00 -0.43 2.88 -1.26 -5.00 113.62 99.87 1wic n SER 147 Ca -0.00 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1wic n SER 147 Cb 0.02 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 61.85 1wic n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 148 N 1.42 1.87 0.16 0.46 0.00 -1.26 -5.07 105.19 102.77 1wic n GLY 148 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.30 -3.53 1.61 0.13 -2.07 -3.50 132.00 124.34 1wic h PRO 149 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wic h PRO 149 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1wic h PRO 149 CO 0.00 -0.12 -0.67 0.45 -0.23 0.00 0.00 178.00 177.43 1wic n SER 150 N -4.98 -7.00 -3.90 1.44 2.88 -1.26 -5.08 113.62 95.72 1wic n SER 150 Ca -0.05 1.08 -0.10 0.00 -1.33 0.00 0.00 58.87 58.47 1wic n SER 150 Cb 0.16 -3.87 -0.09 0.00 -0.75 0.00 0.00 64.21 59.66 1wic n SER 150 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wic s SER 151 N -0.38 0.11 0.00 -3.46 1.04 -1.26 -5.31 113.70 104.44 1wic s SER 151 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wic s SER 151 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wic s SER 151 CO 0.00 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.35