#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 3.69 -0.14 1.61 0.15 -1.26 -5.00 113.70 112.76 1wic s SER 2 Ca 0.00 -0.93 -0.08 0.00 0.70 0.00 0.00 55.95 55.64 1wic s SER 2 Cb 0.00 -1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 1wic s SER 2 CO 0.00 -0.08 -0.08 0.28 1.20 0.00 0.00 173.24 174.57 1wic h SER 3 N 7.89 0.00 0.00 5.45 0.02 -2.11 -3.51 113.55 121.29 1wic h SER 3 Ca -0.36 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1wic h SER 3 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1wic h SER 3 CO 0.57 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.62 1wic n GLY 4 N 1.64 0.90 3.11 -3.77 0.00 -1.26 -4.95 105.19 100.86 1wic n GLY 4 Ca -0.07 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 1wic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 5 N -4.00 1.82 -0.94 1.61 0.01 -1.26 -5.08 113.70 105.86 1wic s SER 5 Ca 0.00 -0.29 -0.18 0.00 1.31 0.00 0.00 55.95 56.80 1wic s SER 5 Cb 0.00 -0.35 0.15 0.00 0.21 0.00 0.00 66.02 66.03 1wic s SER 5 CO 0.00 0.16 1.10 -0.44 0.41 0.00 0.00 173.24 174.47 1wic s SER 6 N -0.14 6.69 0.00 2.44 0.01 -1.26 -4.90 113.70 116.54 1wic s SER 6 Ca 0.01 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 55.05 1wic s SER 6 Cb -0.08 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1wic s SER 6 CO 0.00 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.30 1wic n GLY 7 N 5.15 0.14 2.88 3.44 0.00 -1.26 -5.14 105.19 110.40 1wic n GLY 7 Ca 0.24 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 0.28 0.77 1.61 2.47 -1.26 -5.14 119.74 116.46 1wic s LYS 8 Ca 0.00 0.46 -0.16 0.00 -1.56 0.00 0.00 55.97 54.71 1wic s LYS 8 Cb 0.00 -0.65 -0.07 0.00 -1.46 0.00 0.00 37.83 35.65 1wic s LYS 8 CO 0.00 -0.60 0.12 0.36 0.16 0.00 0.00 175.35 175.39 1wic n LYS 9 N 5.35 0.10 -1.56 4.03 0.00 -1.26 -4.93 118.16 119.89 1wic n LYS 9 Ca -0.05 0.06 -0.30 0.00 -0.00 0.00 0.00 58.31 58.02 1wic n LYS 9 Cb 0.50 -1.51 0.08 0.00 -0.00 0.00 0.00 35.03 34.10 1wic n LYS 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wic s PRO 10 N -2.40 2.34 -0.05 -1.58 0.04 -1.26 -5.08 135.00 127.01 1wic s PRO 10 Ca 0.57 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 1wic s PRO 10 Cb -0.32 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1wic s PRO 10 CO 0.66 -1.46 0.34 -0.51 0.04 0.00 0.00 177.00 176.07 1wic s LEU 11 N -5.71 0.72 0.06 -3.56 1.43 -1.26 -5.17 118.68 105.20 1wic s LEU 11 Ca 0.60 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 54.06 1wic s LEU 11 Cb -0.14 1.31 -0.03 0.00 0.03 0.00 0.00 46.19 47.36 1wic s LEU 11 CO 0.54 -0.36 -0.19 -0.44 0.23 0.00 0.00 176.35 176.13 1wic s SER 12 N -0.89 2.26 0.03 2.29 0.01 -1.26 -5.10 113.70 111.05 1wic s SER 12 Ca -0.10 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.65 1wic s SER 12 Cb -0.04 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1wic s SER 12 CO 0.03 0.09 -0.13 0.68 0.41 0.00 0.00 173.24 174.32 1wic s VAL 13 N -0.95 1.03 -0.78 3.43 -7.23 -1.26 -1.27 120.40 113.38 1wic s VAL 13 Ca 0.05 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.03 1wic s VAL 13 Cb -0.09 -0.94 -0.00 0.00 0.56 0.00 0.00 36.38 35.91 1wic s VAL 13 CO 0.02 0.00 1.66 0.12 -0.31 0.00 0.00 175.10 176.60 1wic s PHE 14 N -0.82 2.00 -0.63 2.82 5.36 0.50 -4.78 117.98 122.42 1wic s PHE 14 Ca 0.01 0.27 -0.26 0.00 -0.96 0.00 0.00 56.93 55.99 1wic s PHE 14 Cb -0.08 -4.32 -0.11 0.00 -0.34 0.00 0.00 43.02 38.18 1wic s PHE 14 CO 0.01 -2.07 2.42 1.63 -1.46 0.00 0.00 175.22 175.76 1wic n LYS 15 N 9.12 0.80 -2.99 10.12 4.01 -1.26 -2.78 118.16 135.18 1wic n LYS 15 Ca 0.22 -0.33 -0.30 0.00 -0.51 0.00 0.00 58.31 57.40 1wic n LYS 15 Cb 0.50 -3.43 -0.03 0.00 -0.51 0.00 0.00 35.03 31.56 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 11.40 1.92 0.49 0.72 0.00 -1.26 -4.98 107.32 115.62 1wic s GLY 16 Ca 0.98 -0.30 0.28 0.00 0.00 0.00 0.00 44.72 45.69 1wic s GLY 16 CO 0.21 -0.13 1.80 -0.56 0.00 0.00 0.00 173.10 174.42 1wic h PRO 17 N 1.38 0.00 0.00 2.90 0.13 -1.99 -3.41 132.00 131.01 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 0.64 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1wic n LEU 18 N -3.10 0.00 -4.45 1.56 4.77 -1.26 -4.56 117.00 109.96 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 0.42 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1wic n LEU 18 CO 0.31 -0.20 -0.43 -0.22 -1.33 0.00 0.00 177.39 175.52 1wic s LEU 19 N -3.28 2.84 0.54 2.23 1.98 -1.26 -2.21 118.68 119.52 1wic s LEU 19 Ca 0.00 -0.22 -0.15 0.00 -2.89 0.00 0.00 54.13 50.87 1wic s LEU 19 Cb 0.00 -1.62 -0.07 0.00 0.66 0.00 0.00 46.19 45.16 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 -0.16 3.50 -0.07 5.38 3.76 0.47 -4.16 115.29 124.02 1wic s HIS 20 Ca 0.00 1.41 0.02 0.00 -0.15 0.00 0.00 55.06 56.35 1wic s HIS 20 Cb -0.13 -2.77 0.01 0.00 1.11 0.00 0.00 32.58 30.80 1wic s HIS 20 CO 0.03 -0.45 -0.14 0.42 -0.85 0.00 0.00 174.74 173.75 1wic s ILE 21 N -2.77 1.27 -0.02 0.60 -1.09 -1.12 -2.98 121.20 115.09 1wic s ILE 21 Ca 0.58 -0.55 -0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1wic s ILE 21 Cb -0.10 -1.15 0.03 0.00 -1.58 0.00 0.00 42.46 39.66 1wic s ILE 21 CO 0.37 0.39 0.03 -0.55 -1.23 0.00 0.00 174.94 173.95 1wic s SER 22 N 0.65 0.16 1.10 3.58 0.15 0.52 -0.37 113.70 119.49 1wic s SER 22 Ca -0.15 0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 1wic s SER 22 Cb -0.16 -0.07 0.22 0.00 -1.71 0.00 0.00 66.02 64.30 1wic s SER 22 CO 0.04 -0.14 1.02 -0.81 1.20 0.00 0.00 173.24 174.55 1wic n PRO 23 N 4.28 -1.94 0.00 5.44 -0.04 -1.26 0.11 135.00 141.59 1wic n PRO 23 Ca -0.26 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1wic n PRO 23 Cb 0.50 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.14 0.00 -3.17 0.55 0.00 -0.40 -4.58 120.51 108.77 1wic n ALA 24 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 1wic n ALA 24 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 1wic n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 25 N -0.06 1.36 -3.15 0.00 1.02 -1.26 -4.73 120.64 113.82 1wic n GLU 25 Ca 0.00 -3.66 0.04 0.00 -0.02 0.00 0.00 57.16 53.52 1wic n GLU 25 Cb 0.00 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1wic n GLU 25 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wic s GLU 26 N -2.27 0.48 -0.23 3.49 -1.05 -1.15 -4.27 118.70 113.70 1wic s GLU 26 Ca 0.40 0.59 -0.10 0.00 -0.15 0.00 0.00 54.97 55.71 1wic s GLU 26 Cb 0.28 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 34.22 1wic s GLU 26 CO -0.09 -0.77 0.14 -0.51 0.95 0.00 0.00 175.26 174.97 1wic s LEU 27 N 2.86 4.00 -0.73 1.83 1.43 0.51 -4.70 118.68 123.89 1wic s LEU 27 Ca 0.14 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1wic s LEU 27 Cb -0.10 -2.07 0.19 0.00 0.03 0.00 0.00 46.19 44.24 1wic s LEU 27 CO -0.23 0.07 0.63 -0.31 0.23 0.00 0.00 176.35 176.74 1wic s TYR 28 N 1.00 3.61 -1.08 0.29 1.51 -1.26 0.87 117.35 122.29 1wic s TYR 28 Ca 0.07 -2.18 -0.18 0.00 -1.01 0.00 0.00 57.07 53.77 1wic s TYR 28 Cb -0.13 -3.60 0.12 0.00 -0.11 0.00 0.00 41.96 38.23 1wic s TYR 28 CO 0.04 -0.95 1.37 -0.06 -1.11 0.00 0.00 175.55 174.84 1wic s PHE 29 N 0.24 3.07 0.00 2.71 0.08 -1.26 -4.47 117.98 118.35 1wic s PHE 29 Ca 0.16 -1.54 0.00 0.00 0.12 0.00 0.00 56.93 55.67 1wic s PHE 29 Cb -0.15 -4.44 0.00 0.00 -0.57 0.00 0.00 43.02 37.85 1wic s PHE 29 CO -0.06 -1.59 0.00 0.41 -0.10 0.00 0.00 175.22 173.88 1wic n GLY 30 N 5.34 -0.49 3.61 4.36 0.00 -1.26 -4.95 105.19 111.80 1wic n GLY 30 Ca 0.33 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 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 2.28 0.45 1.61 0.15 -1.19 -4.87 113.70 112.14 1wic s SER 31 Ca 0.00 1.84 -0.19 0.00 0.70 0.00 0.00 55.95 58.30 1wic s SER 31 Cb 0.00 -2.42 -0.15 0.00 -1.71 0.00 0.00 66.02 61.74 1wic s SER 31 CO 0.00 -3.44 -0.03 -0.38 1.20 0.00 0.00 173.24 170.59 1wic n ILE 32 N -4.44 0.28 -4.24 6.45 -0.00 -1.26 -4.53 119.36 111.61 1wic n ILE 32 Ca 0.08 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 1wic n ILE 32 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 1wic n ILE 32 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1wic n GLU 33 N 1.42 0.00 -0.71 0.38 1.02 -1.26 -4.34 120.64 117.15 1wic n GLU 33 Ca 0.09 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1wic n GLU 33 Cb 0.44 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.05 1wic n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wic n SER 34 N -0.50 1.72 -3.95 1.62 7.64 -1.26 -4.97 113.62 113.92 1wic n SER 34 Ca 0.00 -3.75 -0.29 0.00 1.01 0.00 0.00 58.87 55.84 1wic n SER 34 Cb 0.00 -0.51 -0.16 0.00 -1.01 0.00 0.00 64.21 62.53 1wic n SER 34 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wic s GLY 35 N -3.15 1.11 0.02 0.23 0.00 -1.26 -5.01 107.32 99.26 1wic s GLY 35 Ca 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1wic s GLY 35 CO -0.08 0.80 0.00 -2.21 0.00 0.00 0.00 173.10 171.62 1wic n GLU 36 N 4.78 -0.37 -2.83 2.90 2.13 -1.26 -4.80 120.64 121.19 1wic n GLU 36 Ca -0.13 0.38 -0.12 0.00 0.66 0.00 0.00 57.16 57.95 1wic n GLU 36 Cb 0.47 -0.29 0.02 0.00 0.27 0.00 0.00 31.44 31.91 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wic n LYS 37 N -0.29 1.09 -4.41 5.31 5.02 -1.26 -3.14 118.16 120.48 1wic n LYS 37 Ca 0.00 -3.11 -0.31 0.00 -2.02 0.00 0.00 58.31 52.86 1wic n LYS 37 Cb 0.00 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1wic n LYS 37 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wic s LYS 38 N -2.48 2.42 -0.08 1.97 0.00 -1.26 -4.19 119.74 116.11 1wic s LYS 38 Ca 0.30 -0.82 0.00 0.00 0.00 0.00 0.00 55.97 55.46 1wic s LYS 38 Cb 0.41 -2.43 -0.03 0.00 0.00 0.00 0.00 37.83 35.78 1wic s LYS 38 CO -0.01 0.57 -0.06 -0.08 0.00 0.00 0.00 175.35 175.77 1wic s THR 39 N -1.06 3.78 -0.22 3.79 -1.32 0.10 -4.81 115.64 115.90 1wic s THR 39 Ca 0.18 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.20 1wic s THR 39 Cb -0.11 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.33 1wic s THR 39 CO 0.09 0.59 -0.08 -0.22 -2.21 0.00 0.00 174.62 172.79 1wic s LEU 40 N -0.67 2.84 0.16 9.08 2.96 -1.26 0.94 118.68 132.72 1wic s LEU 40 Ca 0.10 -0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1wic s LEU 40 Cb -0.11 -1.66 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 1wic s LEU 40 CO 0.02 -0.05 0.50 -0.63 -1.32 0.00 0.00 176.35 174.86 1wic s ILE 41 N 1.39 4.96 -0.07 6.68 1.01 0.17 -4.69 121.20 130.65 1wic s ILE 41 Ca 0.04 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.29 1wic s ILE 41 Cb -0.15 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1wic s ILE 41 CO -0.06 0.13 -0.23 -0.69 0.00 0.00 0.00 174.94 174.09 1wic s VAL 42 N -1.58 1.94 -0.26 2.92 1.01 0.12 0.29 120.40 124.83 1wic s VAL 42 Ca 0.40 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1wic s VAL 42 Cb -0.13 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.65 1wic s VAL 42 CO 0.20 0.54 -0.11 -0.76 0.00 0.00 0.00 175.10 174.96 1wic s LEU 43 N 0.03 3.37 -0.45 3.92 1.43 -1.08 -0.35 118.68 125.55 1wic s LEU 43 Ca -0.08 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.52 1wic s LEU 43 Cb -0.15 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.59 1wic s LEU 43 CO 0.05 -0.18 0.35 -0.89 0.23 0.00 0.00 176.35 175.91 1wic s THR 44 N 1.11 5.13 -0.38 5.49 2.01 -1.16 -1.54 115.64 126.30 1wic s THR 44 Ca -0.08 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 1wic s THR 44 Cb -0.20 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1wic s THR 44 CO -0.05 -0.50 1.37 0.21 -0.69 0.00 0.00 174.62 174.96 1wic s ASN 45 N 2.30 6.45 -0.04 3.53 2.47 -0.90 -0.39 114.94 128.37 1wic s ASN 45 Ca 0.04 0.94 -0.09 0.00 0.42 0.00 0.00 52.86 54.17 1wic s ASN 45 Cb -0.23 -2.54 -0.30 0.00 -1.45 0.00 0.00 41.25 36.73 1wic s ASN 45 CO 0.07 -1.31 0.71 -0.37 -3.72 0.00 0.00 177.10 172.48 1wic h VAL 46 N 6.29 0.98 -3.27 -5.21 -1.51 -1.78 0.12 116.25 111.87 1wic h VAL 46 Ca -0.27 -2.58 -0.55 0.00 -1.23 0.00 0.00 66.70 62.07 1wic h VAL 46 Cb 1.10 2.76 0.20 0.00 -2.13 0.00 0.00 31.29 33.22 1wic h VAL 46 CO 1.07 0.84 -0.46 0.35 -1.23 0.00 0.00 177.57 178.14 1wic n THR 47 N -3.56 1.21 -0.74 7.19 -2.24 -1.19 -4.60 114.28 110.35 1wic n THR 47 Ca -0.23 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.07 1wic n THR 47 Cb 1.07 -0.70 0.18 0.00 -2.10 0.00 0.00 70.33 68.78 1wic n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wic n LYS 48 N -1.02 2.37 -3.75 -0.78 4.01 -1.26 -3.99 118.16 113.75 1wic n LYS 48 Ca 0.09 -2.44 -0.12 0.00 -0.51 0.00 0.00 58.31 55.33 1wic n LYS 48 Cb 0.51 -1.98 -0.11 0.00 -0.51 0.00 0.00 35.03 32.94 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 -0.81 -0.34 0.36 4.39 0.01 -1.26 -4.94 114.94 112.36 1wic s ASN 49 Ca 0.45 0.64 -0.21 0.00 -0.71 0.00 0.00 52.86 53.03 1wic s ASN 49 Cb 0.38 0.61 -0.15 0.00 0.41 0.00 0.00 41.25 42.49 1wic s ASN 49 CO 0.10 -0.13 0.14 -0.38 -1.51 0.00 0.00 177.10 175.31 1wic n ILE 50 N 3.37 0.80 -3.93 0.60 5.41 -1.25 -4.52 119.36 119.85 1wic n ILE 50 Ca -0.17 -0.48 -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 39.34 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 0.17 -0.17 1.39 1.01 -1.19 0.95 120.40 121.04 1wic s VAL 51 Ca 0.58 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 1wic s VAL 51 Cb -0.66 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1wic s VAL 51 CO 0.60 0.13 0.68 0.00 0.00 0.00 0.00 175.10 176.51 1wic s ALA 52 N 0.90 3.50 0.28 5.51 0.00 0.23 -0.43 121.76 131.75 1wic s ALA 52 Ca -0.09 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 51.84 1wic s ALA 52 Cb -0.12 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1wic s ALA 52 CO -0.02 -0.48 -0.08 -0.59 0.00 0.00 0.00 175.76 174.59 1wic s PHE 53 N 1.73 2.51 0.10 0.00 -0.12 0.01 -0.83 117.98 121.37 1wic s PHE 53 Ca 0.32 -0.29 -0.15 0.00 -0.05 0.00 0.00 56.93 56.76 1wic s PHE 53 Cb -0.16 -1.15 0.03 0.00 -0.63 0.00 0.00 43.02 41.11 1wic s PHE 53 CO 0.12 0.64 0.35 0.15 -0.05 0.00 0.00 175.22 176.43 1wic s LYS 54 N -3.61 0.97 -0.06 1.99 1.02 -0.17 -3.06 119.74 116.82 1wic s LYS 54 Ca 0.31 -0.68 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 1wic s LYS 54 Cb -0.05 0.42 0.03 0.00 -0.52 0.00 0.00 37.83 37.71 1wic s LYS 54 CO 0.18 -0.36 -0.02 0.08 -0.92 0.00 0.00 175.35 174.32 1wic s VAL 55 N -3.48 0.45 0.35 3.17 1.01 -1.26 -0.12 120.40 120.51 1wic s VAL 55 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1wic s VAL 55 Cb 0.02 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1wic s VAL 55 CO -0.09 0.25 0.09 -0.13 0.00 0.00 0.00 175.10 175.21 1wic s ARG 56 N 1.59 1.72 0.20 2.72 0.52 0.53 -4.90 118.95 121.33 1wic s ARG 56 Ca -0.01 -1.99 -0.23 0.00 -0.52 0.00 0.00 55.73 52.98 1wic s ARG 56 Cb -0.13 -0.68 0.06 0.00 0.52 0.00 0.00 34.95 34.72 1wic s ARG 56 CO -0.04 -0.31 0.91 -0.08 0.02 0.00 0.00 175.30 175.80 1wic s THR 57 N -3.34 0.00 -2.04 0.02 -1.32 -1.26 0.83 115.64 108.54 1wic s THR 57 Ca 0.32 -0.75 0.16 0.00 -1.21 0.00 0.00 61.69 60.21 1wic s THR 57 Cb 0.06 -2.20 0.45 0.00 -1.51 0.00 0.00 72.50 69.31 1wic s THR 57 CO 0.15 0.00 1.59 0.35 -2.21 0.00 0.00 174.62 174.50 1wic n THR 58 N -0.51 0.04 -3.06 5.08 -2.24 -1.09 -4.11 114.28 108.39 1wic n THR 58 Ca -0.05 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1wic n THR 58 Cb 0.60 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.57 0.67 0.47 6.98 0.00 -1.26 -4.96 120.51 121.84 1wic n ALA 59 Ca 0.12 -2.25 0.13 0.00 0.00 0.00 0.00 53.44 51.44 1wic n ALA 59 Cb 0.10 -1.08 0.45 0.00 0.00 0.00 0.00 19.45 18.91 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 4.92 0.00 -0.42 0.00 0.13 -1.86 -2.46 132.00 132.31 1wic h PRO 60 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1wic h PRO 60 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1wic h PRO 60 CO 0.27 0.00 0.01 -0.85 -0.23 0.00 0.00 178.00 177.20 1wic n GLU 61 N -2.40 3.82 0.00 0.86 0.28 -1.26 -4.40 120.64 117.54 1wic n GLU 61 Ca 0.04 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 54.03 1wic n GLU 61 Cb 0.35 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 31.17 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 -0.01 0.00 -4.54 3.44 5.02 -1.03 -4.96 118.16 116.09 1wic n LYS 62 Ca 0.25 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 1wic n LYS 62 Cb 1.05 -0.69 -0.11 0.00 -0.02 0.00 0.00 35.03 35.26 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 -1.84 3.00 -0.50 2.13 2.02 -0.95 0.19 117.35 121.40 1wic s TYR 63 Ca 0.00 -0.02 -0.21 0.00 -0.37 0.00 0.00 57.07 56.46 1wic s TYR 63 Cb 0.00 -1.78 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1wic s TYR 63 CO 0.00 0.27 0.74 0.50 -1.57 0.00 0.00 175.55 175.49 1wic s ARG 64 N -0.56 3.24 -0.26 -0.62 3.00 0.26 -4.74 118.95 119.27 1wic s ARG 64 Ca 0.09 -0.53 -0.10 0.00 -1.00 0.00 0.00 55.73 54.19 1wic s ARG 64 Cb -0.12 -4.04 -0.05 0.00 0.00 0.00 0.00 34.95 30.75 1wic s ARG 64 CO 0.02 -1.24 0.15 0.08 0.00 0.00 0.00 175.30 174.30 1wic s VAL 65 N 3.11 5.09 -0.28 7.11 1.01 -1.26 -2.64 120.40 132.54 1wic s VAL 65 Ca 0.22 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1wic s VAL 65 Cb -0.16 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1wic s VAL 65 CO 0.16 0.31 0.78 -0.75 0.00 0.00 0.00 175.10 175.60 1wic s LYS 66 N 1.45 0.59 0.21 2.72 2.36 -0.95 -3.44 119.74 122.68 1wic s LYS 66 Ca 0.07 1.06 -0.30 0.00 -2.55 0.00 0.00 55.97 54.25 1wic s LYS 66 Cb -0.15 0.18 -0.08 0.00 -1.05 0.00 0.00 37.83 36.73 1wic s LYS 66 CO 0.07 -0.13 1.11 -1.25 1.55 0.00 0.00 175.35 176.70 1wic s PRO 67 N 1.66 4.60 -0.37 4.03 0.04 -1.26 -0.88 135.00 142.82 1wic s PRO 67 Ca -0.09 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.76 1wic s PRO 67 Cb -0.05 -3.25 0.48 0.00 0.04 0.00 0.00 34.50 31.72 1wic s PRO 67 CO -0.18 0.11 1.49 -1.13 0.04 0.00 0.00 177.00 177.32 1wic n SER 68 N 2.02 4.55 0.00 6.66 3.41 -1.22 -4.76 113.62 124.28 1wic n SER 68 Ca 0.02 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1wic n SER 68 Cb 0.46 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.92 0.00 0.00 4.04 6.94 -1.26 -4.49 115.26 119.56 1wic n ASN 69 Ca 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 1wic n ASN 69 Cb 0.93 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 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 -4.14 0.53 2.88 -1.17 -4.85 113.62 106.86 1wic n SER 70 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 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 -4.00 0.62 -0.19 -3.46 1.04 -1.26 -0.81 113.70 105.63 1wic s SER 71 Ca 0.00 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.33 1wic s SER 71 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1wic s SER 71 CO 0.00 -0.63 -0.12 0.00 0.98 0.00 0.00 173.24 173.48 1wic n ASP 73 N 4.68 -2.49 -4.73 0.00 9.92 -1.26 -3.14 116.55 119.52 1wic n ASP 73 Ca -0.15 0.29 -0.41 0.00 -0.53 0.00 0.00 54.79 53.98 1wic n ASP 73 Cb 0.47 -1.15 -0.04 0.00 -0.64 0.00 0.00 41.12 39.77 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 -3.46 4.55 -0.61 -0.24 0.04 -1.26 -3.20 135.00 130.82 1wic s PRO 74 Ca 0.55 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 1wic s PRO 74 Cb -0.20 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1wic s PRO 74 CO 0.69 0.00 0.15 0.41 0.04 0.00 0.00 177.00 178.29 1wic n GLY 75 N 2.24 0.16 3.10 0.56 0.00 0.40 -4.98 105.19 106.68 1wic n GLY 75 Ca 0.04 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.06 0.63 -3.52 4.61 0.00 -1.19 -5.00 120.51 113.97 1wic n ALA 76 Ca -0.06 -1.90 -0.14 0.00 0.00 0.00 0.00 53.44 51.34 1wic n ALA 76 Cb 0.55 1.43 -0.15 0.00 0.00 0.00 0.00 19.45 21.28 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 -3.28 -0.02 0.41 0.00 1.04 -1.26 -2.11 113.70 108.48 1wic s SER 77 Ca 0.30 0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.95 1wic s SER 77 Cb 0.01 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1wic s SER 77 CO 0.22 -0.10 0.42 -0.51 0.98 0.00 0.00 173.24 174.24 1wic s ILE 78 N 0.81 2.80 -0.10 -1.02 2.07 -0.59 -4.91 121.20 120.27 1wic s ILE 78 Ca -0.06 -1.26 -0.00 0.00 -1.41 0.00 0.00 60.65 57.91 1wic s ILE 78 Cb -0.09 -3.02 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1wic s ILE 78 CO -0.03 -0.01 -0.07 1.51 -1.91 0.00 0.00 174.94 174.43 1wic s ASP 79 N -4.18 2.04 -0.34 4.50 -4.77 -1.26 -2.63 116.67 110.03 1wic s ASP 79 Ca 0.49 -0.27 -0.00 0.00 -3.30 0.00 0.00 52.55 49.47 1wic s ASP 79 Cb -0.05 -0.78 0.08 0.00 -1.09 0.00 0.00 42.92 41.08 1wic s ASP 79 CO 0.29 -0.11 0.07 -0.63 0.70 0.00 0.00 175.17 175.49 1wic s ILE 80 N 1.64 2.85 0.31 2.11 -1.09 0.14 -3.98 121.20 123.18 1wic s ILE 80 Ca 0.03 -1.86 -0.28 0.00 -2.23 0.00 0.00 60.65 56.31 1wic s ILE 80 Cb -0.13 -2.86 -0.09 0.00 -1.58 0.00 0.00 42.46 37.80 1wic s ILE 80 CO -0.07 -0.41 1.01 -0.63 -1.23 0.00 0.00 174.94 173.61 1wic s ILE 81 N 1.12 3.88 -0.24 2.92 1.09 -0.06 0.42 121.20 130.33 1wic s ILE 81 Ca 0.03 1.70 -0.04 0.00 -1.10 0.00 0.00 60.65 61.23 1wic s ILE 81 Cb -0.21 -4.00 0.08 0.00 -1.06 0.00 0.00 42.46 37.27 1wic s ILE 81 CO -0.04 0.26 0.11 -0.69 -0.10 0.00 0.00 174.94 174.48 1wic s VAL 82 N -1.40 -0.07 -0.07 2.92 1.01 0.27 -2.25 120.40 120.81 1wic s VAL 82 Ca 0.48 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1wic s VAL 82 Cb -0.25 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1wic s VAL 82 CO 0.31 -0.52 -0.19 -0.55 0.00 0.00 0.00 175.10 174.15 1wic s SER 83 N 2.11 2.45 -0.48 3.32 0.15 -1.08 -0.72 113.70 119.45 1wic s SER 83 Ca 0.06 -0.42 -0.28 0.00 0.70 0.00 0.00 55.95 56.01 1wic s SER 83 Cb -0.16 -0.94 0.01 0.00 -1.71 0.00 0.00 66.02 63.22 1wic s SER 83 CO -0.24 0.13 1.45 -2.16 1.20 0.00 0.00 173.24 173.63 1wic s PRO 84 N 0.28 3.40 0.00 5.44 0.04 -1.26 0.91 135.00 143.81 1wic s PRO 84 Ca -0.12 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1wic s PRO 84 Cb -0.15 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1wic s PRO 84 CO 0.05 -1.80 0.00 0.72 0.04 0.00 0.00 177.00 176.01 1wic n HIS 85 N 9.42 0.00 -0.03 0.56 8.25 0.52 -2.09 115.22 131.84 1wic n HIS 85 Ca 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.56 1wic n HIS 85 Cb 0.49 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 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 0.00 -0.32 2.18 -1.41 0.00 -1.26 -4.90 105.19 99.47 1wic n GLY 86 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 2.34 0.87 3.90 -0.02 0.00 -0.89 -4.91 105.19 106.47 1wic n GLY 87 Ca -0.09 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1wic n GLY 87 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wic s LEU 88 N -2.47 3.15 0.70 0.99 0.05 -1.22 -5.06 118.68 114.82 1wic s LEU 88 Ca 0.05 0.92 -0.11 0.00 0.05 0.00 0.00 54.13 55.05 1wic s LEU 88 Cb 0.27 -3.77 0.01 0.00 -2.05 0.00 0.00 46.19 40.65 1wic s LEU 88 CO -0.08 -1.11 1.06 0.28 -0.55 0.00 0.00 176.35 175.96 1wic s THR 89 N -3.11 3.93 -0.17 5.48 -1.32 -1.26 -4.78 115.64 114.41 1wic s THR 89 Ca 0.55 0.63 0.01 0.00 -1.21 0.00 0.00 61.69 61.67 1wic s THR 89 Cb -0.11 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.47 1wic s THR 89 CO 0.48 -0.82 0.57 1.33 -2.21 0.00 0.00 174.62 173.97 1wic n VAL 90 N -3.11 0.05 -1.18 5.08 0.24 -1.26 -5.06 118.33 113.09 1wic n VAL 90 Ca 0.07 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1wic n VAL 90 Cb 0.54 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1wic n VAL 90 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wic n SER 91 N 0.05 -1.07 -0.32 -1.34 7.64 -1.26 -3.72 113.62 113.60 1wic n SER 91 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1wic n SER 91 Cb 0.05 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.60 2.66 -0.04 -0.43 0.00 -1.26 -4.53 120.51 117.51 1wic n ALA 92 Ca 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 53.44 50.72 1wic n ALA 92 Cb 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.24 1.28 -2.03 0.00 6.02 -1.26 -4.94 117.38 115.20 1wic n GLN 93 Ca 0.18 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.78 1wic n GLN 93 Cb 0.70 -1.35 0.02 0.00 1.02 0.00 0.00 30.24 30.63 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 -4.31 5.52 0.02 1.08 2.15 -1.24 -5.06 116.67 114.84 1wic s ASP 94 Ca -0.06 2.02 -0.01 0.00 0.43 0.00 0.00 52.55 54.92 1wic s ASP 94 Cb 0.06 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 1wic s ASP 94 CO 0.58 -1.35 -0.01 -0.13 -0.17 0.00 0.00 175.17 174.10 1wic s ARG 95 N -3.76 0.39 0.18 4.34 1.81 -1.26 -4.58 118.95 116.07 1wic s ARG 95 Ca 0.68 -0.69 0.10 0.00 -1.72 0.00 0.00 55.73 54.10 1wic s ARG 95 Cb -0.20 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.39 1wic s ARG 95 CO 0.34 -0.07 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.66 1wic s PHE 96 N -1.90 2.47 -0.02 -0.53 0.08 -0.83 -2.68 117.98 114.57 1wic s PHE 96 Ca -0.12 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1wic s PHE 96 Cb -0.06 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1wic s PHE 96 CO -0.02 0.49 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.37 1wic s LEU 97 N -2.68 1.79 -0.06 -0.37 1.98 0.24 0.77 118.68 120.35 1wic s LEU 97 Ca 0.22 -0.11 0.02 0.00 -2.89 0.00 0.00 54.13 51.37 1wic s LEU 97 Cb -0.09 -0.33 0.02 0.00 0.66 0.00 0.00 46.19 46.45 1wic s LEU 97 CO 0.12 0.03 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.89 1wic s ILE 98 N 0.19 0.91 0.18 6.68 1.01 0.26 0.20 121.20 130.64 1wic s ILE 98 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1wic s ILE 98 Cb -0.06 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1wic s ILE 98 CO -0.00 0.31 0.12 -0.04 0.00 0.00 0.00 174.94 175.33 1wic s MET 99 N 0.85 2.81 -0.30 2.79 -1.94 0.83 0.19 119.30 124.53 1wic s MET 99 Ca -0.12 -0.95 -0.11 0.00 -1.71 0.00 0.00 55.69 52.81 1wic s MET 99 Cb -0.15 -2.58 0.13 0.00 2.01 0.00 0.00 34.83 34.24 1wic s MET 99 CO 0.01 0.46 0.68 0.00 -0.01 0.00 0.00 175.02 176.17 1wic s ALA 100 N -1.82 -2.08 -0.03 3.03 0.00 0.06 -1.00 121.76 119.92 1wic s ALA 100 Ca 0.31 2.34 0.02 0.00 0.00 0.00 0.00 51.96 54.63 1wic s ALA 100 Cb -0.09 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.26 1wic s ALA 100 CO 0.23 -0.88 -0.09 0.00 0.00 0.00 0.00 175.76 175.01 1wic s ALA 101 N 2.75 0.90 -0.17 0.00 0.00 -0.01 -0.89 121.76 124.34 1wic s ALA 101 Ca -0.06 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1wic s ALA 101 Cb -0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1wic s ALA 101 CO -0.19 0.13 1.65 -2.00 0.00 0.00 0.00 175.76 175.36 1wic s GLU 102 N 0.28 3.87 0.69 0.00 2.12 -1.26 -0.60 118.70 123.79 1wic s GLU 102 Ca -0.05 1.83 -0.04 0.00 0.36 0.00 0.00 54.97 57.07 1wic s GLU 102 Cb -0.10 -4.04 0.08 0.00 0.26 0.00 0.00 34.13 30.33 1wic s GLU 102 CO 0.01 -1.21 0.97 -1.64 -0.54 0.00 0.00 175.26 172.85 1wic s MET 103 N 4.58 2.06 0.00 4.30 -1.94 0.27 -4.92 119.30 123.64 1wic s MET 103 Ca 0.73 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 1wic s MET 103 Cb -0.28 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.31 1wic s MET 103 CO 0.29 -1.24 0.00 0.39 -0.01 0.00 0.00 175.02 174.45 1wic n GLU 104 N -2.82 2.77 -0.12 2.03 1.02 -1.26 -4.32 120.64 117.93 1wic n GLU 104 Ca 0.10 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.05 1wic n GLU 104 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.92 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 0.56 -4.02 3.49 10.64 -1.26 -3.77 117.38 123.02 1wic n GLN 105 Ca 0.00 0.16 -0.25 0.00 -1.83 0.00 0.00 57.00 55.08 1wic n GLN 105 Cb 0.00 -1.44 -0.04 0.00 -0.86 0.00 0.00 30.24 27.90 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1wic s SER 106 N -6.50 5.94 -0.23 2.61 0.01 -1.26 -4.70 113.70 109.57 1wic s SER 106 Ca -0.32 -0.01 -0.37 0.00 1.31 0.00 0.00 55.95 56.56 1wic s SER 106 Cb 0.09 -1.67 0.15 0.00 0.21 0.00 0.00 66.02 64.81 1wic s SER 106 CO 0.50 0.02 1.38 -0.94 0.41 0.00 0.00 173.24 174.62 1wic s SER 107 N -3.41 -0.02 0.00 2.44 1.04 -1.26 -5.03 113.70 107.46 1wic s SER 107 Ca 0.33 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.81 1wic s SER 107 Cb -0.10 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1wic s SER 107 CO 0.26 -0.04 0.37 0.61 0.98 0.00 0.00 173.24 175.43 1wic n GLY 108 N -0.13 0.09 2.44 7.32 0.00 -1.26 -4.98 105.19 108.67 1wic n GLY 108 Ca 0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1wic n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wic n THR 109 N -0.71 -0.30 -0.89 2.61 -2.24 -1.26 -4.90 114.28 106.59 1wic n THR 109 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1wic n THR 109 Cb 0.11 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1wic n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wic n GLY 110 N -0.64 -1.36 0.15 3.38 0.00 -1.26 -4.53 105.19 100.93 1wic n GLY 110 Ca -0.08 -1.63 0.02 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.90 -3.20 132.00 128.63 1wic h PRO 111 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.51 -0.68 0.00 -0.23 0.00 0.00 178.00 177.60 1wic n ALA 112 N -2.30 0.58 -0.23 -0.56 0.00 -1.26 -3.40 120.51 113.33 1wic n ALA 112 Ca 0.00 -0.53 0.22 0.00 0.00 0.00 0.00 53.44 53.13 1wic n ALA 112 Cb 0.63 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.46 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 -4.57 -0.03 0.00 0.00 -0.58 -1.26 0.83 120.64 115.03 1wic n GLU 113 Ca -0.10 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1wic n GLU 113 Cb 0.35 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1wic n GLU 113 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wic n LEU 114 N -4.26 0.21 -0.69 -4.62 7.99 -1.21 -1.03 117.00 113.40 1wic n LEU 114 Ca 0.24 0.57 0.51 0.00 -0.01 0.00 0.00 56.01 57.32 1wic n LEU 114 Cb 0.86 -0.45 0.79 0.00 -0.11 0.00 0.00 43.42 44.50 1wic n LEU 114 CO 0.04 -0.45 1.43 -1.20 -1.51 0.00 0.00 177.39 175.69 1wic n SER 115 N -1.86 0.00 -0.05 -1.43 7.64 0.71 0.16 113.62 118.78 1wic n SER 115 Ca 0.00 0.95 -0.11 0.00 1.01 0.00 0.00 58.87 60.72 1wic n SER 115 Cb 0.00 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.62 1wic n SER 115 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1wic h GLN 116 N 0.00 -0.02 -0.18 1.43 1.08 0.38 -2.88 115.11 114.93 1wic h GLN 116 Ca 0.91 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 58.13 1wic h GLN 116 Cb 3.64 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 31.06 1wic h GLN 116 CO -0.01 0.75 0.12 0.35 -0.95 0.00 0.00 178.83 179.08 1wic h PHE 117 N -0.95 0.13 0.00 2.96 3.57 0.33 0.62 116.94 123.60 1wic h PHE 117 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wic h PHE 117 Cb 0.77 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1wic h PHE 117 CO 0.21 0.08 0.00 0.91 -2.23 0.00 0.00 178.31 177.27 1wic n TRP 118 N -4.51 0.47 0.02 0.41 7.02 0.16 -0.07 117.44 120.95 1wic n TRP 118 Ca 0.00 0.14 0.05 0.00 -1.02 0.00 0.00 57.50 56.67 1wic n TRP 118 Cb 0.16 -0.73 -0.10 0.00 -2.42 0.00 0.00 31.31 28.22 1wic n TRP 118 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1wic n LYS 119 N -1.89 0.64 -0.06 -0.99 0.00 0.20 -4.34 118.16 111.72 1wic n LYS 119 Ca 0.06 0.05 -0.22 0.00 0.00 0.00 0.00 58.31 58.20 1wic n LYS 119 Cb 0.36 -1.70 -0.13 0.00 0.00 0.00 0.00 35.03 33.57 1wic n LYS 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wic n GLU 120 N -2.64 0.68 -2.16 1.64 1.02 0.13 -4.88 120.64 114.42 1wic n GLU 120 Ca -0.09 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 1wic n GLU 120 Cb 0.73 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 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 3.56 0.51 2.62 0.11 0.90 -4.99 120.40 120.61 1wic s VAL 121 Ca -0.28 0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 59.55 1wic s VAL 121 Cb 0.08 -3.62 -0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1wic s VAL 121 CO 0.67 0.00 1.04 -2.16 -3.33 0.00 0.00 175.10 171.32 1wic s PRO 122 N 2.36 3.71 0.58 1.54 0.04 -1.26 -4.80 135.00 137.17 1wic s PRO 122 Ca 0.66 1.32 0.30 0.00 0.04 0.00 0.00 61.00 63.31 1wic s PRO 122 Cb -0.33 -2.08 1.62 0.00 0.04 0.00 0.00 34.50 33.74 1wic s PRO 122 CO 0.28 -0.50 1.89 0.07 0.04 0.00 0.00 177.00 178.78 1wic h ARG 123 N 1.32 0.00 0.00 4.56 -0.00 -1.94 1.25 114.38 119.57 1wic h ARG 123 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.47 1wic h ARG 123 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1wic h ARG 123 CO 0.59 0.00 -0.10 -0.91 -0.00 0.00 0.00 179.97 179.54 1wic h ASN 124 N 0.00 0.00 0.00 0.08 2.35 -2.02 -3.06 115.58 112.93 1wic h ASN 124 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wic h ASN 124 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1wic h ASN 124 CO 0.00 0.10 -1.49 0.29 -1.65 0.00 0.00 177.43 174.68 1wic n LYS 125 N -3.15 0.74 -2.60 0.81 4.76 0.41 -4.89 118.16 114.25 1wic n LYS 125 Ca 0.03 -0.11 -0.43 0.00 -2.87 0.00 0.00 58.31 54.93 1wic n LYS 125 Cb 0.51 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.27 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 -3.08 4.35 -0.68 -0.18 1.01 0.29 -4.59 120.40 117.52 1wic s VAL 126 Ca -0.02 1.49 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 1wic s VAL 126 Cb 0.12 -4.46 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1wic s VAL 126 CO 0.76 -0.69 1.09 -0.32 0.00 0.00 0.00 175.10 175.94 1wic s MET 127 N 4.03 3.16 -0.07 2.72 1.75 -0.07 -4.88 119.30 125.94 1wic s MET 127 Ca 0.48 -0.55 -0.19 0.00 -1.25 0.00 0.00 55.69 54.17 1wic s MET 127 Cb -0.11 -4.20 -0.05 0.00 2.84 0.00 0.00 34.83 33.32 1wic s MET 127 CO 0.23 -1.92 0.54 -1.21 -0.65 0.00 0.00 175.02 172.01 1wic s GLU 128 N 4.70 4.32 -0.19 4.11 2.02 -1.26 -0.76 118.70 131.64 1wic s GLU 128 Ca 0.28 0.60 -0.01 0.00 0.02 0.00 0.00 54.97 55.85 1wic s GLU 128 Cb -0.13 -3.40 0.05 0.00 0.10 0.00 0.00 34.13 30.76 1wic s GLU 128 CO 0.13 0.24 -0.01 -1.58 0.02 0.00 0.00 175.26 174.06 1wic s HIS 129 N 0.30 1.47 0.17 1.61 2.46 0.51 -4.93 115.29 116.88 1wic s HIS 129 Ca 0.29 -1.07 -0.22 0.00 0.47 0.00 0.00 55.06 54.53 1wic s HIS 129 Cb -0.17 -1.20 -0.08 0.00 -0.13 0.00 0.00 32.58 31.00 1wic s HIS 129 CO 0.14 -0.63 0.72 1.03 -2.47 0.00 0.00 174.74 173.52 1wic s ARG 130 N 1.71 4.37 0.23 2.88 3.00 -1.26 0.93 118.95 130.81 1wic s ARG 130 Ca -0.01 0.97 0.11 0.00 0.00 0.00 0.00 55.73 56.79 1wic s ARG 130 Cb -0.17 -3.10 -0.05 0.00 0.00 0.00 0.00 34.95 31.64 1wic s ARG 130 CO -0.07 0.51 -0.14 -0.51 0.00 0.00 0.00 175.30 175.08 1wic s LEU 131 N -1.49 2.77 0.15 2.53 1.43 0.23 -4.82 118.68 119.49 1wic s LEU 131 Ca 0.38 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1wic s LEU 131 Cb -0.20 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1wic s LEU 131 CO 0.23 0.07 -0.15 0.00 0.23 0.00 0.00 176.35 176.73 1wic s ARG 132 N -3.16 1.14 0.27 1.70 1.70 -1.26 -1.97 118.95 117.37 1wic s ARG 132 Ca 0.27 -1.36 -0.12 0.00 -0.47 0.00 0.00 55.73 54.05 1wic s ARG 132 Cb -0.07 -1.00 -0.08 0.00 -0.57 0.00 0.00 34.95 33.23 1wic s ARG 132 CO 0.15 0.18 0.62 0.00 -1.08 0.00 0.00 175.30 175.18 1wic s HIS 134 N -1.89 4.11 0.00 0.00 2.46 0.25 -4.61 115.29 115.62 1wic s HIS 134 Ca 0.50 -2.80 0.00 0.00 0.47 0.00 0.00 55.06 53.23 1wic s HIS 134 Cb -0.11 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.73 1wic s HIS 134 CO 0.20 -0.87 0.00 -2.37 -2.47 0.00 0.00 174.74 169.23 1wic n THR 135 N 2.61 0.00 -4.02 0.89 5.66 -1.26 -4.82 114.28 113.34 1wic n THR 135 Ca 0.22 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.10 1wic n THR 135 Cb 0.39 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.04 1wic n THR 135 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1wic s VAL 136 N -2.91 0.28 -0.02 1.08 0.11 -1.26 -4.91 120.40 112.76 1wic s VAL 136 Ca 0.00 -0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 1wic s VAL 136 Cb 0.00 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.45 1wic s VAL 136 CO 0.00 -0.27 0.56 -0.08 -3.33 0.00 0.00 175.10 171.99 1wic h GLU 137 N 5.11 -0.36 -1.82 1.54 4.22 -1.92 -3.42 114.58 117.92 1wic h GLU 137 Ca -0.31 0.02 0.19 0.00 0.08 0.00 0.00 59.36 59.35 1wic h GLU 137 Cb 1.20 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 1wic h GLU 137 CO 0.44 -0.24 -0.55 0.45 -2.18 0.00 0.00 179.01 176.93 1wic n SER 138 N -4.09 -4.49 -1.32 1.04 2.88 -1.26 -4.95 113.62 101.44 1wic n SER 138 Ca -0.05 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1wic n SER 138 Cb 0.15 -2.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.06 1wic n SER 138 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wic n SER 139 N -3.40 -7.13 -3.58 -3.46 2.88 -1.26 -5.06 113.62 92.61 1wic n SER 139 Ca -0.03 1.55 -0.15 0.00 -1.33 0.00 0.00 58.87 58.92 1wic n SER 139 Cb 0.36 -4.10 -0.06 0.00 -0.75 0.00 0.00 64.21 59.66 1wic n SER 139 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wic s LYS 140 N -5.14 0.86 0.77 -1.46 2.20 -1.26 -5.18 119.74 110.54 1wic s LYS 140 Ca 0.00 0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 56.02 1wic s LYS 140 Cb 0.00 0.41 0.19 0.00 -1.51 0.00 0.00 37.83 36.92 1wic s LYS 140 CO 0.00 -0.20 0.85 -0.35 -0.36 0.00 0.00 175.35 175.29 1wic n PRO 141 N 1.65 -1.69 0.03 4.03 -0.04 -1.26 -5.05 135.00 132.67 1wic n PRO 141 Ca -0.15 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1wic n PRO 141 Cb 0.56 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1wic n PRO 141 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wic n ASN 142 N -3.95 0.09 -1.42 3.54 5.15 -1.26 -5.16 115.26 112.25 1wic n ASN 142 Ca 0.11 0.09 0.15 0.00 -0.60 0.00 0.00 54.58 54.33 1wic n ASN 142 Cb 0.41 0.03 -0.08 0.00 -0.53 0.00 0.00 39.78 39.60 1wic n ASN 142 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wic n SER 143 N -2.91 -7.47 -3.66 1.20 7.64 -1.26 -5.07 113.62 102.10 1wic n SER 143 Ca 0.00 1.43 -0.01 0.00 1.01 0.00 0.00 58.87 61.30 1wic n SER 143 Cb 0.16 -4.85 -0.01 0.00 -1.01 0.00 0.00 64.21 58.50 1wic n SER 143 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wic s LEU 144 N -6.99 -0.12 0.15 -3.43 1.43 -1.26 -5.19 118.68 103.27 1wic s LEU 144 Ca 0.00 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1wic s LEU 144 Cb 0.00 1.67 0.04 0.00 0.03 0.00 0.00 46.19 47.93 1wic s LEU 144 CO 0.00 -0.51 0.46 -0.32 0.23 0.00 0.00 176.35 176.21 1wic s MET 145 N -2.74 1.18 -0.09 1.70 1.75 -1.26 -5.18 119.30 114.66 1wic s MET 145 Ca 0.13 -0.73 -0.17 0.00 -1.25 0.00 0.00 55.69 53.67 1wic s MET 145 Cb 0.02 0.50 0.04 0.00 2.84 0.00 0.00 34.83 38.23 1wic s MET 145 CO -0.02 -0.48 0.42 -0.48 -0.65 0.00 0.00 175.02 173.81 1wic s LEU 146 N -2.82 0.40 0.29 4.11 -0.00 -1.26 -5.17 118.68 114.22 1wic s LEU 146 Ca 0.05 0.54 -0.06 0.00 -0.00 0.00 0.00 54.13 54.65 1wic s LEU 146 Cb 0.01 1.56 -0.00 0.00 -0.00 0.00 0.00 46.19 47.75 1wic s LEU 146 CO -0.10 -0.34 0.44 -0.55 -0.00 0.00 0.00 176.35 175.80 1wic s SER 147 N -0.60 0.41 -0.32 1.48 0.15 -1.26 -5.13 113.70 108.43 1wic s SER 147 Ca -0.07 -1.26 -0.07 0.00 0.70 0.00 0.00 55.95 55.25 1wic s SER 147 Cb -0.04 0.60 0.23 0.00 -1.71 0.00 0.00 66.02 65.10 1wic s SER 147 CO 0.03 -1.19 1.16 0.61 1.20 0.00 0.00 173.24 175.06 1wic n GLY 148 N -0.46 -1.82 3.76 9.45 0.00 -1.26 -5.17 105.19 109.70 1wic n GLY 148 Ca -0.00 1.33 -0.30 0.00 0.00 0.00 0.00 46.02 47.04 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 0.85 -0.29 0.09 1.61 0.04 -1.26 -5.10 135.00 130.94 1wic s PRO 149 Ca 0.23 -0.24 -0.26 0.00 0.04 0.00 0.00 61.00 60.77 1wic s PRO 149 Cb 0.15 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 33.05 1wic s PRO 149 CO -0.11 -3.06 0.90 -1.12 0.04 0.00 0.00 177.00 173.65 1wic s SER 150 N -4.40 -0.28 0.25 6.66 0.01 -1.26 -5.09 113.70 109.59 1wic s SER 150 Ca 0.72 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1wic s SER 150 Cb -0.07 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1wic s SER 150 CO 0.54 -0.80 0.00 -0.24 0.41 0.00 0.00 173.24 173.16 1wic n SER 151 N -0.37 -0.06 -0.56 2.44 2.88 -1.26 -5.38 113.62 111.31 1wic n SER 151 Ca -0.08 0.43 0.14 0.00 -1.33 0.00 0.00 58.87 58.03 1wic n SER 151 Cb 0.61 0.32 0.45 0.00 -0.75 0.00 0.00 64.21 64.85 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42