#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 1.71 -0.23 1.61 0.15 -1.26 -4.99 113.70 110.69 1wic s SER 2 Ca 0.00 -1.01 -0.06 0.00 0.70 0.00 0.00 55.95 55.59 1wic s SER 2 Cb 0.00 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1wic s SER 2 CO 0.00 -0.34 0.11 -0.24 1.20 0.00 0.00 173.24 173.97 1wic n SER 3 N -0.16 -4.17 0.00 5.45 2.88 -1.26 -5.06 113.62 111.30 1wic n SER 3 Ca -0.11 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wic n SER 3 Cb 0.61 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 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 1.09 0.47 0.05 0.46 0.00 -1.26 -5.02 105.19 100.98 1wic n GLY 4 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1wic n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wic h SER 5 N 0.00 0.00 -3.83 1.61 4.64 -2.05 -3.51 113.55 110.41 1wic h SER 5 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1wic h SER 5 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1wic h SER 5 CO 0.00 0.49 -0.71 -0.24 -0.87 0.00 0.00 176.83 175.50 1wic n SER 6 N -4.10 -4.93 0.00 4.97 2.88 -1.26 -5.07 113.62 106.11 1wic n SER 6 Ca -0.03 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1wic n SER 6 Cb 0.11 -2.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 1wic n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wic n GLY 7 N -2.93 0.61 3.94 0.46 0.00 -1.26 -5.08 105.19 100.93 1wic n GLY 7 Ca -0.04 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 1wic n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wic s LYS 8 N -0.81 1.95 0.08 1.61 2.47 -1.26 -5.07 119.74 118.71 1wic s LYS 8 Ca 0.00 -0.45 -0.14 0.00 -1.56 0.00 0.00 55.97 53.82 1wic s LYS 8 Cb 0.00 -2.18 -0.06 0.00 -1.46 0.00 0.00 37.83 34.13 1wic s LYS 8 CO 0.00 -1.38 0.48 0.15 0.16 0.00 0.00 175.35 174.77 1wic s LYS 9 N -5.27 3.96 0.03 4.03 3.01 -1.26 -5.04 119.74 119.19 1wic s LYS 9 Ca 0.63 0.45 -0.30 0.00 -1.01 0.00 0.00 55.97 55.73 1wic s LYS 9 Cb -0.09 -3.08 -0.05 0.00 -1.01 0.00 0.00 37.83 33.60 1wic s LYS 9 CO 0.45 0.58 1.18 -1.25 0.51 0.00 0.00 175.35 176.82 1wic s PRO 10 N -1.56 4.43 -0.80 -1.68 0.04 -1.26 -4.97 135.00 129.21 1wic s PRO 10 Ca 0.31 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.83 1wic s PRO 10 Cb -0.16 -3.41 0.06 0.00 0.04 0.00 0.00 34.50 31.03 1wic s PRO 10 CO 0.17 -0.28 1.21 -1.17 0.04 0.00 0.00 177.00 176.98 1wic s LEU 11 N 1.32 3.77 -0.13 -3.56 2.96 -1.26 -4.99 118.68 116.80 1wic s LEU 11 Ca 0.57 -0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1wic s LEU 11 Cb -0.28 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 1wic s LEU 11 CO 0.27 -1.58 -0.03 -0.44 -1.32 0.00 0.00 176.35 173.25 1wic s SER 12 N 3.97 4.89 -0.00 3.68 0.01 -1.26 -5.09 113.70 119.90 1wic s SER 12 Ca 0.34 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.59 1wic s SER 12 Cb -0.08 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 1wic s SER 12 CO 0.06 0.25 -0.14 0.68 0.41 0.00 0.00 173.24 174.49 1wic s VAL 13 N -0.11 1.13 -0.76 3.43 -7.23 -1.26 -1.30 120.40 114.30 1wic s VAL 13 Ca 0.03 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 1wic s VAL 13 Cb -0.13 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 1wic s VAL 13 CO 0.02 0.26 1.69 0.12 -0.31 0.00 0.00 175.10 176.88 1wic s PHE 14 N -0.44 1.96 -0.38 2.82 5.36 0.70 -4.76 117.98 123.24 1wic s PHE 14 Ca 0.05 0.33 -0.28 0.00 -0.96 0.00 0.00 56.93 56.08 1wic s PHE 14 Cb -0.06 -4.29 -0.07 0.00 -0.34 0.00 0.00 43.02 38.26 1wic s PHE 14 CO -0.00 -2.08 2.33 1.63 -1.46 0.00 0.00 175.22 175.64 1wic n LYS 15 N 9.12 1.41 -3.56 10.12 4.76 -1.26 -2.25 118.16 136.50 1wic n LYS 15 Ca 0.22 0.24 -0.27 0.00 -2.87 0.00 0.00 58.31 55.64 1wic n LYS 15 Cb 0.50 -3.26 -0.03 0.00 -1.84 0.00 0.00 35.03 30.41 1wic n LYS 15 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wic s GLY 16 N 10.22 1.71 0.40 0.72 0.00 -1.26 -4.99 107.32 114.12 1wic s GLY 16 Ca 1.01 -0.79 0.27 0.00 0.00 0.00 0.00 44.72 45.21 1wic s GLY 16 CO 0.32 -0.73 1.78 -0.56 0.00 0.00 0.00 173.10 173.91 1wic h PRO 17 N 1.67 0.00 0.00 2.90 0.13 -2.00 -3.41 132.00 131.30 1wic h PRO 17 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wic h PRO 17 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 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 -2.77 0.00 -4.45 1.56 4.77 -1.26 -4.67 117.00 110.18 1wic n LEU 18 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.38 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1wic n LEU 18 CO 0.28 -0.24 -0.37 -0.22 -1.33 0.00 0.00 177.39 175.52 1wic s LEU 19 N -3.47 3.13 -0.12 2.23 1.98 -1.26 -2.48 118.68 118.69 1wic s LEU 19 Ca 0.00 -0.21 -0.30 0.00 -2.89 0.00 0.00 54.13 50.74 1wic s LEU 19 Cb 0.00 -1.76 -0.01 0.00 0.66 0.00 0.00 46.19 45.08 1wic s LEU 19 CO 0.00 0.12 1.03 -1.00 -1.89 0.00 0.00 176.35 174.62 1wic s HIS 20 N 0.64 3.45 -0.01 5.38 3.76 0.10 -4.10 115.29 124.51 1wic s HIS 20 Ca -0.03 1.53 -0.12 0.00 -0.15 0.00 0.00 55.06 56.30 1wic s HIS 20 Cb -0.15 -3.23 -0.05 0.00 1.11 0.00 0.00 32.58 30.27 1wic s HIS 20 CO 0.02 -0.39 0.35 0.42 -0.85 0.00 0.00 174.74 174.29 1wic s ILE 21 N 2.20 5.15 -0.14 0.60 -1.09 -0.95 -0.80 121.20 126.17 1wic s ILE 21 Ca 0.49 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 59.44 1wic s ILE 21 Cb -0.19 -3.63 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1wic s ILE 21 CO 0.17 0.52 0.33 -0.55 -1.23 0.00 0.00 174.94 174.18 1wic s SER 22 N -1.24 -0.39 0.25 3.58 0.15 -0.31 -0.22 113.70 115.53 1wic s SER 22 Ca 0.24 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1wic s SER 22 Cb -0.15 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1wic s SER 22 CO 0.13 -0.18 0.00 -0.81 1.20 0.00 0.00 173.24 173.58 1wic n PRO 23 N 4.21 0.62 0.00 5.44 -0.04 -1.26 -0.22 135.00 143.76 1wic n PRO 23 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1wic n PRO 23 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -2.81 0.55 0.00 -0.42 -4.23 120.51 110.60 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 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wic n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wic n GLU 25 N 0.00 2.26 -3.15 0.00 0.28 -1.26 -4.65 120.64 114.12 1wic n GLU 25 Ca 0.00 -4.04 0.04 0.00 -0.16 0.00 0.00 57.16 53.00 1wic n GLU 25 Cb 0.00 -1.88 -0.00 0.00 1.43 0.00 0.00 31.44 30.98 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 -3.16 0.47 -0.13 3.44 -1.05 -1.24 -4.13 118.70 112.90 1wic s GLU 26 Ca 0.41 0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 55.72 1wic s GLU 26 Cb 0.37 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 34.31 1wic s GLU 26 CO -0.10 -0.76 0.23 -0.51 0.95 0.00 0.00 175.26 175.07 1wic s LEU 27 N 2.87 4.33 -0.35 1.83 1.43 0.53 -4.70 118.68 124.62 1wic s LEU 27 Ca 0.14 0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1wic s LEU 27 Cb -0.10 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.92 1wic s LEU 27 CO -0.23 0.26 0.12 -0.31 0.23 0.00 0.00 176.35 176.42 1wic s TYR 28 N -0.34 3.27 -0.99 0.29 1.51 -1.26 0.22 117.35 120.04 1wic s TYR 28 Ca 0.16 -1.46 -0.08 0.00 -1.01 0.00 0.00 57.07 54.67 1wic s TYR 28 Cb -0.13 -2.36 0.25 0.00 -0.11 0.00 0.00 41.96 39.61 1wic s TYR 28 CO 0.04 -0.75 0.95 -0.06 -1.11 0.00 0.00 175.55 174.62 1wic s PHE 29 N 1.40 4.06 0.00 2.71 0.40 -1.26 -4.18 117.98 121.11 1wic s PHE 29 Ca -0.01 -2.62 0.00 0.00 -0.60 0.00 0.00 56.93 53.70 1wic s PHE 29 Cb -0.20 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1wic s PHE 29 CO 0.03 -0.91 0.00 0.41 0.70 0.00 0.00 175.22 175.44 1wic n GLY 30 N 2.92 0.40 3.30 4.36 0.00 -1.24 -4.52 105.19 110.40 1wic n GLY 30 Ca 0.21 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 2.99 0.46 1.61 0.15 -1.26 -4.96 113.70 112.70 1wic s SER 31 Ca 0.00 -0.47 -0.20 0.00 0.70 0.00 0.00 55.95 55.98 1wic s SER 31 Cb 0.00 -0.33 -0.13 0.00 -1.71 0.00 0.00 66.02 63.85 1wic s SER 31 CO 0.00 0.31 0.22 -0.38 1.20 0.00 0.00 173.24 174.59 1wic n ILE 32 N 2.39 1.05 0.00 6.45 2.08 -1.26 -0.83 119.36 129.24 1wic n ILE 32 Ca -0.16 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1wic n ILE 32 Cb 0.51 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 1wic n ILE 32 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wic n GLU 33 N 0.94 0.00 0.20 0.38 1.02 -1.26 -4.57 120.64 117.35 1wic n GLU 33 Ca 0.11 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 1wic n GLU 33 Cb 0.43 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 32.38 1wic n GLU 33 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1wic h SER 34 N 0.00 0.00 0.00 1.62 0.02 -1.33 -3.48 113.55 110.38 1wic h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wic h SER 34 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wic h SER 34 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1wic n GLY 35 N 0.28 2.14 2.22 -3.77 0.00 -1.16 -4.70 105.19 100.21 1wic n GLY 35 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1wic n GLY 35 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wic n GLU 36 N 12.31 -1.47 -1.24 1.61 0.28 -1.26 -4.32 120.64 126.56 1wic n GLU 36 Ca 0.00 -0.61 -0.21 0.00 -0.16 0.00 0.00 57.16 56.17 1wic n GLU 36 Cb 0.00 -1.12 -0.11 0.00 1.43 0.00 0.00 31.44 31.64 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wic n LYS 37 N -1.76 2.52 -4.73 3.44 5.02 -1.26 -3.65 118.16 117.73 1wic n LYS 37 Ca 0.06 -1.68 -0.30 0.00 -2.02 0.00 0.00 58.31 54.37 1wic n LYS 37 Cb 0.25 -2.19 -0.14 0.00 -0.02 0.00 0.00 35.03 32.93 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 0.31 1.77 0.24 1.97 2.36 -1.26 -4.33 119.74 120.81 1wic s LYS 38 Ca 0.64 -1.14 0.08 0.00 -2.55 0.00 0.00 55.97 53.01 1wic s LYS 38 Cb 0.31 -2.01 -0.04 0.00 -1.05 0.00 0.00 37.83 35.04 1wic s LYS 38 CO -0.07 0.50 0.09 -0.08 1.55 0.00 0.00 175.35 177.34 1wic s THR 39 N -0.89 3.99 -0.13 3.43 -1.32 -0.70 -4.40 115.64 115.61 1wic s THR 39 Ca 0.13 -1.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.03 1wic s THR 39 Cb -0.10 -3.12 0.04 0.00 -1.51 0.00 0.00 72.50 67.81 1wic s THR 39 CO 0.04 -0.31 -0.02 -0.22 -2.21 0.00 0.00 174.62 171.90 1wic s LEU 40 N -3.60 1.12 0.05 9.08 2.96 -1.26 0.18 118.68 127.20 1wic s LEU 40 Ca 0.31 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1wic s LEU 40 Cb -0.08 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.86 1wic s LEU 40 CO 0.22 -0.20 0.53 -0.63 -1.32 0.00 0.00 176.35 174.95 1wic s ILE 41 N 1.80 4.82 -0.10 6.68 1.01 0.19 -4.66 121.20 130.94 1wic s ILE 41 Ca 0.03 1.13 0.01 0.00 0.00 0.00 0.00 60.65 61.82 1wic s ILE 41 Cb -0.14 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1wic s ILE 41 CO -0.07 0.55 -0.14 -0.69 0.00 0.00 0.00 174.94 174.59 1wic s VAL 42 N -1.01 2.98 -0.36 2.92 1.01 0.70 0.27 120.40 126.92 1wic s VAL 42 Ca 0.28 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1wic s VAL 42 Cb -0.19 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.07 1wic s VAL 42 CO 0.17 0.55 0.09 -0.76 0.00 0.00 0.00 175.10 175.15 1wic s LEU 43 N 0.02 4.75 -0.53 3.92 1.43 -1.14 -1.16 118.68 125.98 1wic s LEU 43 Ca -0.05 -1.95 -0.19 0.00 -1.03 0.00 0.00 54.13 50.91 1wic s LEU 43 Cb -0.14 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1wic s LEU 43 CO 0.04 -0.41 0.66 -0.89 0.23 0.00 0.00 176.35 175.98 1wic s THR 44 N 1.05 4.83 -0.53 5.49 2.01 0.02 -2.02 115.64 126.49 1wic s THR 44 Ca 0.07 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 61.24 1wic s THR 44 Cb -0.21 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 67.96 1wic s THR 44 CO -0.06 -0.89 1.42 0.21 -0.69 0.00 0.00 174.62 174.61 1wic s ASN 45 N 2.90 6.16 -0.03 3.53 2.47 -0.70 0.02 114.94 129.29 1wic s ASN 45 Ca 0.15 0.42 -0.16 0.00 0.42 0.00 0.00 52.86 53.69 1wic s ASN 45 Cb -0.20 -2.54 -0.32 0.00 -1.45 0.00 0.00 41.25 36.73 1wic s ASN 45 CO 0.11 -1.65 0.83 -0.37 -3.72 0.00 0.00 177.10 172.29 1wic h VAL 46 N 6.41 1.20 -2.66 -5.21 -1.51 -1.80 0.30 116.25 112.98 1wic h VAL 46 Ca -0.27 -2.57 -0.56 0.00 -1.23 0.00 0.00 66.70 62.07 1wic h VAL 46 Cb 1.10 2.96 0.20 0.00 -2.13 0.00 0.00 31.29 33.42 1wic h VAL 46 CO 1.16 0.79 -0.97 0.35 -1.23 0.00 0.00 177.57 177.66 1wic n THR 47 N -3.81 0.68 -0.59 7.19 -2.24 -1.20 -4.56 114.28 109.77 1wic n THR 47 Ca -0.20 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 1wic n THR 47 Cb 1.01 -0.37 0.16 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.46 2.22 -3.71 -0.78 3.00 -1.26 -4.00 118.16 114.09 1wic n LYS 48 Ca 0.06 -2.21 -0.12 0.00 -0.00 0.00 0.00 58.31 56.04 1wic n LYS 48 Cb 0.51 -1.89 -0.10 0.00 0.00 0.00 0.00 35.03 33.55 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 -0.66 -0.48 0.42 3.14 0.01 -1.26 -4.98 114.94 111.14 1wic s ASN 49 Ca 0.41 0.86 -0.19 0.00 -0.71 0.00 0.00 52.86 53.24 1wic s ASN 49 Cb 0.34 0.81 -0.14 0.00 0.41 0.00 0.00 41.25 42.66 1wic s ASN 49 CO 0.09 -0.17 0.00 -0.38 -1.51 0.00 0.00 177.10 175.13 1wic n ILE 50 N 3.58 0.36 -3.82 0.60 5.41 -1.26 -4.53 119.36 119.70 1wic n ILE 50 Ca -0.18 -0.47 -0.17 0.00 1.00 0.00 0.00 62.75 62.93 1wic n ILE 50 Cb 0.56 0.00 -0.16 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 -1.70 0.04 0.02 1.39 1.01 -1.12 -0.91 120.40 119.13 1wic s VAL 51 Ca 0.55 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 1wic s VAL 51 Cb -0.55 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1wic s VAL 51 CO 0.60 0.13 0.77 0.00 0.00 0.00 0.00 175.10 176.60 1wic s ALA 52 N 1.22 3.35 0.04 5.51 0.00 -0.51 -0.72 121.76 130.66 1wic s ALA 52 Ca -0.07 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.23 1wic s ALA 52 Cb -0.13 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1wic s ALA 52 CO -0.03 0.02 -0.18 -0.59 0.00 0.00 0.00 175.76 174.99 1wic s PHE 53 N 0.15 1.55 -0.03 0.00 -0.12 0.92 -1.03 117.98 119.42 1wic s PHE 53 Ca 0.39 -0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 56.90 1wic s PHE 53 Cb -0.20 -0.92 0.03 0.00 -0.63 0.00 0.00 43.02 41.30 1wic s PHE 53 CO 0.23 0.07 0.05 0.15 -0.05 0.00 0.00 175.22 175.67 1wic s LYS 54 N -1.20 -0.03 -0.18 1.99 1.02 -0.77 -2.12 119.74 118.45 1wic s LYS 54 Ca 0.05 0.24 -0.06 0.00 0.02 0.00 0.00 55.97 56.22 1wic s LYS 54 Cb -0.08 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1wic s LYS 54 CO 0.02 -0.19 0.02 0.08 -0.92 0.00 0.00 175.35 174.35 1wic s VAL 55 N 1.25 4.33 0.02 3.17 1.01 -1.26 0.21 120.40 129.13 1wic s VAL 55 Ca -0.07 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1wic s VAL 55 Cb -0.13 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1wic s VAL 55 CO -0.03 0.46 -0.05 -0.13 0.00 0.00 0.00 175.10 175.35 1wic s ARG 56 N 0.52 0.35 0.27 2.72 3.00 0.37 -4.76 118.95 121.42 1wic s ARG 56 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 55.73 55.31 1wic s ARG 56 Cb -0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 34.95 34.62 1wic s ARG 56 CO 0.02 0.02 -0.04 -0.08 0.00 0.00 0.00 175.30 175.22 1wic s THR 57 N -0.93 1.48 -1.96 0.02 -1.32 -1.26 0.19 115.64 111.85 1wic s THR 57 Ca -0.08 -2.09 0.25 0.00 -1.21 0.00 0.00 61.69 58.56 1wic s THR 57 Cb -0.07 -2.45 0.70 0.00 -1.51 0.00 0.00 72.50 69.18 1wic s THR 57 CO -0.00 -0.29 1.87 0.35 -2.21 0.00 0.00 174.62 174.34 1wic n THR 58 N -0.55 0.01 -2.94 5.08 -2.24 -1.09 -3.91 114.28 108.64 1wic n THR 58 Ca -0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1wic n THR 58 Cb 0.64 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.02 -0.23 1.50 6.98 0.00 -1.26 -4.96 120.51 121.52 1wic n ALA 59 Ca 0.19 -1.88 0.12 0.00 0.00 0.00 0.00 53.44 51.86 1wic n ALA 59 Cb 0.09 -1.21 0.70 0.00 0.00 0.00 0.00 19.45 19.03 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 2.28 0.75 -0.29 0.00 -0.04 -1.25 -2.09 135.00 134.36 1wic n PRO 60 Ca 0.18 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1wic n PRO 60 Cb 0.56 -1.49 0.23 0.00 -0.04 0.00 0.00 33.50 32.77 1wic n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wic n GLU 61 N -0.99 2.87 0.00 0.54 0.28 -1.26 -4.51 120.64 117.58 1wic n GLU 61 Ca 0.18 -2.36 0.00 0.00 -0.16 0.00 0.00 57.16 54.81 1wic n GLU 61 Cb 0.08 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.51 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 0.95 0.00 -3.97 3.44 5.02 -0.89 -5.00 118.16 117.71 1wic n LYS 62 Ca 0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.13 1wic n LYS 62 Cb 0.54 -0.54 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 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 -1.95 3.46 -0.51 2.13 2.02 -1.06 0.18 117.35 121.62 1wic s TYR 63 Ca 0.00 0.32 -0.14 0.00 -0.37 0.00 0.00 57.07 56.88 1wic s TYR 63 Cb 0.00 -1.81 0.12 0.00 -0.40 0.00 0.00 41.96 39.87 1wic s TYR 63 CO 0.00 0.62 0.44 0.50 -1.57 0.00 0.00 175.55 175.54 1wic s ARG 64 N -1.78 2.87 -0.23 -0.62 3.52 0.93 -4.71 118.95 118.94 1wic s ARG 64 Ca 0.25 -1.64 -0.12 0.00 -0.13 0.00 0.00 55.73 54.08 1wic s ARG 64 Cb -0.12 -4.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.05 1wic s ARG 64 CO 0.16 -1.23 0.24 0.08 -0.81 0.00 0.00 175.30 173.74 1wic s VAL 65 N 1.55 5.30 -0.28 7.11 1.01 -1.26 -2.75 120.40 131.09 1wic s VAL 65 Ca 0.04 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1wic s VAL 65 Cb -0.28 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1wic s VAL 65 CO 0.03 0.31 0.77 -0.75 0.00 0.00 0.00 175.10 175.46 1wic s LYS 66 N 1.14 0.64 0.16 2.72 2.20 -0.90 -3.39 119.74 122.31 1wic s LYS 66 Ca 0.11 1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 1wic s LYS 66 Cb -0.14 0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.26 1wic s LYS 66 CO 0.06 -0.13 1.13 -1.25 -0.36 0.00 0.00 175.35 174.80 1wic s PRO 67 N 1.41 4.55 -0.59 4.03 0.04 -1.25 -0.47 135.00 142.72 1wic s PRO 67 Ca -0.08 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1wic s PRO 67 Cb -0.05 -3.28 0.39 0.00 0.04 0.00 0.00 34.50 31.60 1wic s PRO 67 CO -0.17 0.00 1.44 -1.13 0.04 0.00 0.00 177.00 177.18 1wic n SER 68 N 2.62 5.73 0.00 6.66 3.41 -1.22 -4.74 113.62 126.08 1wic n SER 68 Ca 0.04 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1wic n SER 68 Cb 0.46 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1wic n SER 68 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wic n ASN 69 N -0.50 0.00 -0.26 4.04 4.13 -1.26 -4.52 115.26 116.89 1wic n ASN 69 Ca 0.44 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.70 1wic n ASN 69 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1wic n ASN 69 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wic n SER 70 N 0.00 0.00 -4.13 6.41 2.88 -0.90 -5.06 113.62 112.81 1wic n SER 70 Ca 0.00 -0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.18 1wic n SER 70 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 1.22 0.93 -0.18 -3.46 1.04 -1.26 -0.06 113.70 111.93 1wic s SER 71 Ca 0.00 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1wic s SER 71 Cb 0.00 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1wic s SER 71 CO 0.00 -0.45 -0.20 0.00 0.98 0.00 0.00 173.24 173.57 1wic n ASP 73 N 4.61 -1.44 -4.76 0.00 9.92 -1.26 -2.80 116.55 120.82 1wic n ASP 73 Ca -0.21 0.25 -0.40 0.00 -0.53 0.00 0.00 54.79 53.90 1wic n ASP 73 Cb 0.50 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.68 1wic n ASP 73 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wic s PRO 74 N -3.95 4.66 -1.01 -0.24 0.04 -1.26 -3.21 135.00 130.02 1wic s PRO 74 Ca 0.60 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.40 1wic s PRO 74 Cb -0.21 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1wic s PRO 74 CO 0.65 0.23 0.07 0.41 0.04 0.00 0.00 177.00 178.39 1wic n GLY 75 N 1.32 -0.11 2.93 0.56 0.00 0.11 -4.99 105.19 105.01 1wic n GLY 75 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.82 0.59 -3.33 4.61 0.00 -1.20 -4.99 120.51 114.37 1wic n ALA 76 Ca -0.13 -1.80 -0.13 0.00 0.00 0.00 0.00 53.44 51.39 1wic n ALA 76 Cb 0.60 1.34 -0.13 0.00 0.00 0.00 0.00 19.45 21.26 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 -3.16 -0.15 0.44 0.00 1.04 -1.26 -1.72 113.70 108.90 1wic s SER 77 Ca 0.28 0.32 0.08 0.00 0.48 0.00 0.00 55.95 57.10 1wic s SER 77 Cb 0.01 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1wic s SER 77 CO 0.20 -0.09 0.47 -0.51 0.98 0.00 0.00 173.24 174.28 1wic s ILE 78 N 0.56 2.62 -0.13 -1.02 2.07 -0.86 -4.90 121.20 119.54 1wic s ILE 78 Ca -0.04 -1.24 -0.01 0.00 -1.41 0.00 0.00 60.65 57.95 1wic s ILE 78 Cb -0.05 -2.85 0.04 0.00 0.13 0.00 0.00 42.46 39.72 1wic s ILE 78 CO -0.03 0.00 -0.03 1.51 -1.91 0.00 0.00 174.94 174.48 1wic s ASP 79 N -4.25 2.33 -0.34 4.50 1.47 -1.26 -2.86 116.67 116.26 1wic s ASP 79 Ca 0.50 -0.43 -0.02 0.00 1.18 0.00 0.00 52.55 53.78 1wic s ASP 79 Cb -0.05 -0.73 0.07 0.00 -0.34 0.00 0.00 42.92 41.87 1wic s ASP 79 CO 0.30 -0.18 0.08 -0.63 0.68 0.00 0.00 175.17 175.42 1wic s ILE 80 N 1.77 3.14 0.38 2.11 -1.09 0.14 -3.87 121.20 123.78 1wic s ILE 80 Ca 0.03 -1.64 -0.24 0.00 -2.23 0.00 0.00 60.65 56.57 1wic s ILE 80 Cb -0.14 -2.95 -0.10 0.00 -1.58 0.00 0.00 42.46 37.69 1wic s ILE 80 CO -0.07 -0.34 0.98 -0.63 -1.23 0.00 0.00 174.94 173.64 1wic s ILE 81 N 1.21 4.13 -0.30 2.92 1.09 0.37 0.53 121.20 131.15 1wic s ILE 81 Ca 0.01 1.58 -0.03 0.00 -1.10 0.00 0.00 60.65 61.11 1wic s ILE 81 Cb -0.21 -3.79 0.11 0.00 -1.06 0.00 0.00 42.46 37.52 1wic s ILE 81 CO -0.02 -0.04 0.17 -0.69 -0.10 0.00 0.00 174.94 174.26 1wic s VAL 82 N -1.81 -0.08 -0.18 2.92 1.01 0.13 -2.11 120.40 120.28 1wic s VAL 82 Ca 0.56 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1wic s VAL 82 Cb -0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1wic s VAL 82 CO 0.21 -0.74 -0.06 -0.55 0.00 0.00 0.00 175.10 173.96 1wic s SER 83 N 1.91 4.41 -0.49 3.32 0.15 -1.11 -1.73 113.70 120.16 1wic s SER 83 Ca 0.11 -0.29 -0.28 0.00 0.70 0.00 0.00 55.95 56.19 1wic s SER 83 Cb -0.17 -1.72 0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1wic s SER 83 CO -0.28 0.09 1.46 -2.16 1.20 0.00 0.00 173.24 173.54 1wic s PRO 84 N 0.84 3.38 0.00 5.44 0.04 -1.26 -0.05 135.00 143.39 1wic s PRO 84 Ca -0.02 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1wic s PRO 84 Cb -0.15 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1wic s PRO 84 CO 0.01 -1.82 0.00 1.58 0.04 0.00 0.00 177.00 176.82 1wic n HIS 85 N 9.46 0.00 -2.44 0.56 -0.00 0.49 -4.23 115.22 119.06 1wic n HIS 85 Ca 0.15 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.22 1wic n HIS 85 Cb 0.49 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.39 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 3.96 0.42 1.57 0.00 -1.26 -4.86 105.19 105.01 1wic n GLY 86 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.64 -0.84 0.00 -0.02 0.00 -1.26 -5.15 105.19 97.28 1wic n GLY 87 Ca 0.24 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.60 0.00 -4.29 0.99 -0.00 -1.26 -5.07 117.00 104.77 1wic n LEU 88 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1wic n LEU 88 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1wic n LEU 88 CO 0.00 -1.19 -0.20 0.28 -0.00 0.00 0.00 177.39 176.28 1wic s THR 89 N -0.68 0.20 -0.12 1.47 -1.32 -1.26 -4.89 115.64 109.04 1wic s THR 89 Ca 0.00 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.43 1wic s THR 89 Cb 0.00 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 1wic s THR 89 CO 0.00 0.00 0.08 0.54 -2.21 0.00 0.00 174.62 173.03 1wic s VAL 90 N -3.75 5.00 0.46 5.08 0.11 -1.26 -4.99 120.40 121.05 1wic s VAL 90 Ca 0.38 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 1wic s VAL 90 Cb 0.05 -3.17 -0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1wic s VAL 90 CO 0.17 0.59 0.05 -0.44 -3.33 0.00 0.00 175.10 172.15 1wic s SER 91 N -0.75 3.55 -0.38 3.54 0.01 -1.26 -4.99 113.70 113.42 1wic s SER 91 Ca 0.13 -1.64 -0.00 0.00 1.31 0.00 0.00 55.95 55.74 1wic s SER 91 Cb -0.12 0.45 0.33 0.00 0.21 0.00 0.00 66.02 66.90 1wic s SER 91 CO 0.03 -0.86 1.89 0.00 0.41 0.00 0.00 173.24 174.71 1wic n ALA 92 N -1.10 5.18 -0.06 1.44 0.00 -1.26 -3.86 120.51 120.85 1wic n ALA 92 Ca -0.13 -2.09 -0.06 0.00 0.00 0.00 0.00 53.44 51.16 1wic n ALA 92 Cb 0.66 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.19 2.12 -2.86 0.00 6.02 -1.26 -5.02 117.38 116.18 1wic n GLN 93 Ca 0.39 -0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 57.19 1wic n GLN 93 Cb 0.80 -1.29 0.03 0.00 1.02 0.00 0.00 30.24 30.80 1wic n GLN 93 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1wic s ASP 94 N -4.40 5.43 0.07 1.08 2.15 -1.25 -5.13 116.67 114.62 1wic s ASP 94 Ca -0.06 -0.30 -0.09 0.00 0.43 0.00 0.00 52.55 52.53 1wic s ASP 94 Cb 0.03 -0.65 -0.00 0.00 -0.30 0.00 0.00 42.92 42.01 1wic s ASP 94 CO 0.45 -0.98 0.18 -0.13 -0.17 0.00 0.00 175.17 174.52 1wic s ARG 95 N -4.55 0.77 0.15 4.34 1.81 -1.26 -4.70 118.95 115.51 1wic s ARG 95 Ca 0.57 -0.84 0.08 0.00 -1.72 0.00 0.00 55.73 53.82 1wic s ARG 95 Cb -0.10 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.68 1wic s ARG 95 CO 0.36 -0.23 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.57 1wic s PHE 96 N -3.35 2.65 -0.02 -0.53 0.08 -0.75 -2.66 117.98 113.40 1wic s PHE 96 Ca 0.01 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.87 1wic s PHE 96 Cb 0.03 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 1wic s PHE 96 CO -0.08 0.47 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.25 1wic s LEU 97 N -2.54 1.83 -0.02 -0.37 1.98 0.52 -0.16 118.68 119.92 1wic s LEU 97 Ca 0.23 -0.16 0.04 0.00 -2.89 0.00 0.00 54.13 51.35 1wic s LEU 97 Cb -0.10 -0.47 -0.01 0.00 0.66 0.00 0.00 46.19 46.27 1wic s LEU 97 CO 0.14 0.07 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.89 1wic s ILE 98 N 0.11 1.21 0.16 6.68 1.01 0.57 0.14 121.20 131.08 1wic s ILE 98 Ca -0.01 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1wic s ILE 98 Cb -0.07 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1wic s ILE 98 CO 0.00 0.35 -0.05 -0.04 0.00 0.00 0.00 174.94 175.19 1wic s MET 99 N -0.17 2.22 -0.30 2.79 -1.94 0.56 0.20 119.30 122.66 1wic s MET 99 Ca 0.02 -1.16 -0.10 0.00 -1.71 0.00 0.00 55.69 52.74 1wic s MET 99 Cb -0.08 -2.27 0.14 0.00 2.01 0.00 0.00 34.83 34.63 1wic s MET 99 CO 0.00 0.46 0.70 0.00 -0.01 0.00 0.00 175.02 176.17 1wic s ALA 100 N -1.63 -2.16 -0.04 3.03 0.00 0.10 -1.84 121.76 119.22 1wic s ALA 100 Ca 0.25 2.28 0.01 0.00 0.00 0.00 0.00 51.96 54.51 1wic s ALA 100 Cb -0.09 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.21 1wic s ALA 100 CO 0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 175.76 174.93 1wic s ALA 101 N 2.83 0.60 0.12 0.00 0.00 -0.20 -0.76 121.76 124.35 1wic s ALA 101 Ca -0.04 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 1wic s ALA 101 Cb -0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 1wic s ALA 101 CO -0.19 0.01 1.35 -2.00 0.00 0.00 0.00 175.76 174.93 1wic s GLU 102 N 0.77 4.35 0.47 0.00 2.12 -1.26 -1.43 118.70 123.72 1wic s GLU 102 Ca -0.10 2.03 0.06 0.00 0.36 0.00 0.00 54.97 57.33 1wic s GLU 102 Cb -0.13 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.04 1wic s GLU 102 CO -0.00 -0.38 0.65 -1.64 -0.54 0.00 0.00 175.26 173.35 1wic s MET 103 N 0.86 2.69 0.00 4.30 -1.94 -0.09 -4.93 119.30 120.18 1wic s MET 103 Ca 0.62 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1wic s MET 103 Cb -0.36 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1wic s MET 103 CO 0.32 -0.45 0.00 0.39 -0.01 0.00 0.00 175.02 175.26 1wic n GLU 104 N -2.02 3.56 0.00 2.03 1.02 -1.26 -4.62 120.64 119.34 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 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1wic n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wic n GLN 105 N 0.00 -0.65 -1.52 3.49 10.64 -1.26 -4.53 117.38 123.56 1wic n GLN 105 Ca 0.00 0.00 -0.49 0.00 -1.83 0.00 0.00 57.00 54.68 1wic n GLN 105 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1wic n GLN 105 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1wic n SER 106 N -1.93 2.53 -3.94 2.61 7.64 -1.26 -4.82 113.62 114.46 1wic n SER 106 Ca 0.00 0.48 -0.21 0.00 1.01 0.00 0.00 58.87 60.14 1wic n SER 106 Cb 0.00 -1.33 0.13 0.00 -1.01 0.00 0.00 64.21 62.00 1wic n SER 106 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wic n SER 107 N 9.58 0.73 -0.00 6.43 3.41 -1.26 -5.02 113.62 127.49 1wic n SER 107 Ca 0.36 -1.75 0.07 0.00 -0.26 0.00 0.00 58.87 57.29 1wic n SER 107 Cb 0.27 -0.67 -0.09 0.00 -0.26 0.00 0.00 64.21 63.47 1wic n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wic n GLY 108 N -1.80 -0.43 3.61 5.00 0.00 -1.26 -5.03 105.19 105.28 1wic n GLY 108 Ca 0.14 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.58 -5.03 -3.88 2.61 -2.24 -1.26 -4.99 114.28 97.91 1wic n THR 109 Ca 0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1wic n THR 109 Cb 0.27 -3.92 0.00 0.00 -2.10 0.00 0.00 70.33 64.58 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 -1.67 4.27 0.24 3.38 0.00 -1.26 -4.96 105.19 105.19 1wic n GLY 110 Ca -0.24 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.99 -2.73 132.00 129.02 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 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 177.82 1wic n ALA 112 N -2.12 0.00 -0.30 -0.56 0.00 -1.26 -3.31 120.51 112.96 1wic n ALA 112 Ca 0.02 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1wic n ALA 112 Cb 0.44 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.20 -0.07 0.21 0.00 -0.58 -1.26 0.13 120.64 116.87 1wic n GLU 113 Ca 0.00 1.31 -0.08 0.00 -0.42 0.00 0.00 57.16 57.97 1wic n GLU 113 Cb 0.00 -2.12 -0.04 0.00 -0.57 0.00 0.00 31.44 28.71 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 -0.44 -1.90 -4.62 3.38 -1.69 1.20 115.31 111.23 1wic h LEU 114 Ca 0.57 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.81 1wic h LEU 114 Cb 1.23 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1wic h LEU 114 CO -0.81 -0.31 0.72 -1.28 0.09 0.00 0.00 178.44 176.85 1wic h SER 115 N -0.55 0.00 0.86 -0.43 0.87 -0.65 1.92 113.55 115.58 1wic h SER 115 Ca -0.05 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 1wic h SER 115 Cb 0.40 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1wic h SER 115 CO 0.09 0.00 -1.18 1.56 -0.53 0.00 0.00 176.83 176.76 1wic h GLN 116 N 0.00 0.01 0.00 2.24 4.20 0.16 -1.83 115.11 119.89 1wic h GLN 116 Ca 0.41 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 59.00 1wic h GLN 116 Cb 1.85 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.62 1wic h GLN 116 CO -0.00 0.89 -1.00 0.35 -0.67 0.00 0.00 178.83 178.39 1wic h PHE 117 N 0.00 0.00 0.00 2.96 3.57 1.11 -1.94 116.94 122.64 1wic h PHE 117 Ca -0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1wic h PHE 117 Cb 1.84 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.57 1wic h PHE 117 CO 0.00 0.42 -0.84 -1.49 -2.23 0.00 0.00 178.31 174.17 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.23 -0.66 115.95 119.99 1wic h TRP 118 Ca -0.08 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.68 1wic h TRP 118 Cb 1.39 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.52 1wic h TRP 118 CO 0.00 0.10 -1.44 1.57 -3.56 0.00 0.00 178.44 175.11 1wic h LYS 119 N 0.00 0.00 0.13 0.49 5.09 -1.38 -3.36 116.57 117.54 1wic h LYS 119 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.37 1wic h LYS 119 Cb 1.09 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.41 1wic h LYS 119 CO 0.01 0.33 -1.89 0.93 -2.09 0.00 0.00 179.45 176.74 1wic h GLU 120 N 0.00 0.28 -6.39 0.07 5.08 -1.41 -3.46 114.58 108.75 1wic h GLU 120 Ca -0.18 -0.48 -0.54 0.00 -1.00 0.00 0.00 59.36 57.16 1wic h GLU 120 Cb 1.66 0.18 0.01 0.00 0.50 0.00 0.00 28.75 31.09 1wic h GLU 120 CO 0.05 1.18 0.91 0.54 -1.00 0.00 0.00 179.01 180.70 1wic s VAL 121 N -2.57 3.46 0.36 3.13 0.11 -0.25 -4.97 120.40 119.66 1wic s VAL 121 Ca -0.19 0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 59.45 1wic s VAL 121 Cb 0.06 -3.54 -0.09 0.00 -1.53 0.00 0.00 36.38 31.28 1wic s VAL 121 CO 0.80 -0.01 1.06 -2.16 -3.33 0.00 0.00 175.10 171.47 1wic s PRO 122 N 2.60 4.30 0.66 1.54 0.04 -1.26 -4.83 135.00 138.05 1wic s PRO 122 Ca 0.68 1.60 0.21 0.00 0.04 0.00 0.00 61.00 63.53 1wic s PRO 122 Cb -0.35 -2.73 1.13 0.00 0.04 0.00 0.00 34.50 32.59 1wic s PRO 122 CO 0.29 -0.04 1.63 0.07 0.04 0.00 0.00 177.00 178.99 1wic h ARG 123 N 2.88 0.00 -0.04 4.56 -0.00 -1.93 1.76 114.38 121.61 1wic h ARG 123 Ca -0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.33 1wic h ARG 123 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.17 1wic h ARG 123 CO 0.64 0.00 -0.74 -0.97 -0.00 0.00 0.00 179.97 178.90 1wic h ASN 124 N 0.00 0.30 -0.03 0.08 -1.24 -2.01 -2.77 115.58 109.91 1wic h ASN 124 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.81 1wic h ASN 124 Cb 1.06 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1wic h ASN 124 CO 0.00 0.93 0.00 0.29 -1.29 0.00 0.00 177.43 177.36 1wic n LYS 125 N -3.78 1.92 -3.18 6.67 4.76 0.59 -4.78 118.16 120.36 1wic n LYS 125 Ca -0.03 -1.33 -0.43 0.00 -2.87 0.00 0.00 58.31 53.64 1wic n LYS 125 Cb 0.71 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 32.36 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 -1.99 4.91 -0.40 -0.18 1.01 -0.38 -4.49 120.40 118.89 1wic s VAL 126 Ca 0.34 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1wic s VAL 126 Cb 0.21 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1wic s VAL 126 CO 0.32 -0.65 0.96 -0.32 0.00 0.00 0.00 175.10 175.40 1wic s MET 127 N 2.57 3.77 -0.18 2.72 1.75 0.06 -4.90 119.30 125.08 1wic s MET 127 Ca 0.17 0.51 -0.06 0.00 -1.25 0.00 0.00 55.69 55.06 1wic s MET 127 Cb -0.17 -3.84 -0.03 0.00 2.84 0.00 0.00 34.83 33.63 1wic s MET 127 CO 0.14 -1.05 0.02 -1.21 -0.65 0.00 0.00 175.02 172.27 1wic s GLU 128 N 3.65 3.76 -0.11 4.11 2.02 -1.26 0.01 118.70 130.88 1wic s GLU 128 Ca 0.39 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.96 1wic s GLU 128 Cb -0.11 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1wic s GLU 128 CO 0.22 0.16 -0.22 -1.58 0.02 0.00 0.00 175.26 173.85 1wic s HIS 129 N 0.64 2.52 -0.30 1.61 2.46 0.53 -4.91 115.29 117.85 1wic s HIS 129 Ca 0.01 -1.11 -0.11 0.00 0.47 0.00 0.00 55.06 54.31 1wic s HIS 129 Cb -0.14 -1.70 -0.04 0.00 -0.13 0.00 0.00 32.58 30.57 1wic s HIS 129 CO 0.02 -0.47 0.20 1.03 -2.47 0.00 0.00 174.74 173.04 1wic s ARG 130 N 0.53 3.80 0.06 2.88 3.00 -1.26 0.21 118.95 128.18 1wic s ARG 130 Ca -0.15 -0.42 -0.14 0.00 0.00 0.00 0.00 55.73 55.03 1wic s ARG 130 Cb -0.17 -3.68 -0.06 0.00 0.00 0.00 0.00 34.95 31.04 1wic s ARG 130 CO 0.05 -0.26 0.45 -1.17 0.00 0.00 0.00 175.30 174.38 1wic s LEU 131 N 1.74 4.41 0.25 2.53 1.98 0.78 -4.73 118.68 125.64 1wic s LEU 131 Ca 0.07 0.96 0.07 0.00 -2.89 0.00 0.00 54.13 52.34 1wic s LEU 131 Cb -0.16 -2.89 -0.04 0.00 0.66 0.00 0.00 46.19 43.76 1wic s LEU 131 CO 0.10 0.22 0.19 -0.13 -1.89 0.00 0.00 176.35 174.85 1wic s ARG 132 N -1.54 2.91 -0.14 1.98 1.81 -1.26 -1.81 118.95 120.90 1wic s ARG 132 Ca 0.30 -1.06 -0.10 0.00 -1.72 0.00 0.00 55.73 53.15 1wic s ARG 132 Cb -0.16 -2.56 -0.05 0.00 -0.45 0.00 0.00 34.95 31.74 1wic s ARG 132 CO 0.17 0.40 0.19 0.00 -0.68 0.00 0.00 175.30 175.37 1wic s HIS 134 N -0.33 3.34 -0.10 0.00 2.46 0.58 -4.67 115.29 116.57 1wic s HIS 134 Ca 0.14 -1.57 -0.24 0.00 0.47 0.00 0.00 55.06 53.86 1wic s HIS 134 Cb -0.12 -3.61 -0.03 0.00 -0.13 0.00 0.00 32.58 28.68 1wic s HIS 134 CO 0.03 -1.00 0.73 0.95 -2.47 0.00 0.00 174.74 172.99 1wic s THR 135 N 1.48 5.00 -0.90 0.89 -4.23 -1.26 -4.40 115.64 112.22 1wic s THR 135 Ca 0.04 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 62.04 1wic s THR 135 Cb -0.28 -4.06 0.29 0.00 1.34 0.00 0.00 72.50 69.79 1wic s THR 135 CO 0.01 0.18 1.23 1.33 -0.54 0.00 0.00 174.62 176.84 1wic n VAL 136 N 4.09 4.28 -3.93 2.29 0.24 -1.26 -4.98 118.33 119.05 1wic n VAL 136 Ca 0.00 -5.69 -0.08 0.00 -2.04 0.00 0.00 64.34 56.54 1wic n VAL 136 Cb 0.51 -2.01 -0.04 0.00 -1.47 0.00 0.00 33.84 30.83 1wic n VAL 136 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1wic s GLU 137 N -2.85 1.66 -0.30 7.34 2.12 -1.26 -5.16 118.70 120.25 1wic s GLU 137 Ca 0.36 -1.13 -0.09 0.00 0.36 0.00 0.00 54.97 54.47 1wic s GLU 137 Cb 0.11 0.54 0.14 0.00 0.26 0.00 0.00 34.13 35.17 1wic s GLU 137 CO 0.04 -0.73 0.64 -1.12 -0.54 0.00 0.00 175.26 173.55 1wic s SER 138 N -2.97 -1.15 0.53 -1.70 0.01 -1.26 -5.13 113.70 102.02 1wic s SER 138 Ca 0.17 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1wic s SER 138 Cb -0.03 2.27 0.00 0.00 0.21 0.00 0.00 66.02 68.47 1wic s SER 138 CO 0.08 -0.23 0.00 -1.20 0.41 0.00 0.00 173.24 172.31 1wic n SER 139 N 5.45 -7.08 -3.60 2.44 7.64 -1.26 -5.07 113.62 112.13 1wic n SER 139 Ca -0.11 1.46 -0.08 0.00 1.01 0.00 0.00 58.87 61.15 1wic n SER 139 Cb 0.49 -4.30 -0.01 0.00 -1.01 0.00 0.00 64.21 59.38 1wic n SER 139 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wic s LYS 140 N -4.71 1.88 -1.25 1.43 1.02 -1.26 -5.07 119.74 111.78 1wic s LYS 140 Ca 0.00 -1.18 -0.20 0.00 0.02 0.00 0.00 55.97 54.61 1wic s LYS 140 Cb 0.00 0.59 -0.01 0.00 -0.52 0.00 0.00 37.83 37.89 1wic s LYS 140 CO 0.00 -0.86 1.83 -1.25 -0.92 0.00 0.00 175.35 174.16 1wic s PRO 141 N -3.46 3.26 -0.11 -1.68 0.04 -1.26 -4.49 135.00 127.31 1wic s PRO 141 Ca 0.15 -1.60 -0.04 0.00 0.04 0.00 0.00 61.00 59.54 1wic s PRO 141 Cb -0.05 -5.40 0.01 0.00 0.04 0.00 0.00 34.50 29.10 1wic s PRO 141 CO 0.09 -3.10 0.08 0.09 0.04 0.00 0.00 177.00 174.20 1wic n ASN 142 N 11.30 -6.75 -2.68 6.66 4.13 -1.26 -4.98 115.26 121.69 1wic n ASN 142 Ca 0.47 0.53 -0.05 0.00 1.68 0.00 0.00 54.58 57.21 1wic n ASN 142 Cb 0.46 -2.33 0.08 0.00 -1.54 0.00 0.00 39.78 36.46 1wic n ASN 142 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wic n SER 143 N 1.01 -1.48 0.00 6.41 2.88 -1.26 -5.00 113.62 116.17 1wic n SER 143 Ca -0.01 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1wic n SER 143 Cb 0.43 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 64.88 1wic n SER 143 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wic n LEU 144 N 1.21 0.00 -1.27 2.46 -0.00 -1.26 -4.93 117.00 113.21 1wic n LEU 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1wic n LEU 144 Cb 0.71 0.23 0.00 0.00 -0.00 0.00 0.00 43.42 44.36 1wic n LEU 144 CO -0.10 -0.23 -0.35 0.23 -0.00 0.00 0.00 177.39 176.93 1wic n MET 145 N -1.95 -3.62 -1.52 1.47 2.81 -1.26 -4.54 117.12 108.51 1wic n MET 145 Ca 0.00 2.68 -0.35 0.00 -1.81 0.00 0.00 57.70 58.22 1wic n MET 145 Cb 0.00 -3.00 -0.12 0.00 -0.71 0.00 0.00 33.22 29.39 1wic n MET 145 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wic n LEU 146 N -0.65 0.81 -3.65 4.03 4.77 -1.26 -4.75 117.00 116.30 1wic n LEU 146 Ca 0.00 -0.27 0.01 0.00 -0.03 0.00 0.00 56.01 55.72 1wic n LEU 146 Cb 0.00 -1.14 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1wic n LEU 146 CO 0.00 -1.24 1.07 -0.44 -1.33 0.00 0.00 177.39 175.45 1wic s SER 147 N 9.03 -0.05 0.00 -1.43 0.01 -1.26 -5.14 113.70 114.85 1wic s SER 147 Ca 1.20 0.09 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1wic s SER 147 Cb -0.78 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1wic s SER 147 CO 0.40 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1wic n GLY 148 N 2.54 1.89 3.79 3.44 0.00 -1.26 -5.09 105.19 110.50 1wic n GLY 148 Ca -0.15 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.38 1.35 0.61 1.61 0.04 -1.26 -5.01 135.00 130.97 1wic s PRO 149 Ca 0.00 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 1wic s PRO 149 Cb 0.00 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1wic s PRO 149 CO 0.00 -2.07 1.21 0.45 0.04 0.00 0.00 177.00 176.63 1wic s SER 150 N -4.00 5.03 0.22 6.66 0.15 -1.26 -5.03 113.70 115.46 1wic s SER 150 Ca 0.63 2.39 -0.17 0.00 0.70 0.00 0.00 55.95 59.50 1wic s SER 150 Cb -0.15 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1wic s SER 150 CO 0.53 -1.70 0.54 -0.55 1.20 0.00 0.00 173.24 173.27 1wic s SER 151 N -1.66 -0.22 0.00 5.45 0.15 -1.26 -5.33 113.70 110.82 1wic s SER 151 Ca 0.77 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1wic s SER 151 Cb -0.30 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1wic s SER 151 CO 0.35 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 174.28