#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 4.17 0.19 1.61 0.15 -1.26 -5.10 113.70 113.46 1wic s SER 2 Ca 0.00 -0.25 -0.23 0.00 0.70 0.00 0.00 55.95 56.17 1wic s SER 2 Cb 0.00 -1.43 0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1wic s SER 2 CO 0.00 0.22 0.75 -0.44 1.20 0.00 0.00 173.24 174.97 1wic s SER 3 N 0.01 -0.35 0.00 5.45 0.01 -1.26 -4.97 113.70 112.59 1wic s SER 3 Ca -0.03 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1wic s SER 3 Cb -0.14 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1wic s SER 3 CO 0.04 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.23 1wic n GLY 4 N -0.41 3.60 3.62 3.44 0.00 -1.26 -4.98 105.19 109.20 1wic n GLY 4 Ca -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1wic n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wic s SER 5 N 2.00 -0.13 0.40 1.61 1.04 -1.26 -4.98 113.70 112.38 1wic s SER 5 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wic s SER 5 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wic s SER 5 CO 0.00 -0.13 0.00 -1.20 0.98 0.00 0.00 173.24 172.89 1wic n SER 6 N 0.51 -5.99 0.00 7.02 7.64 -1.26 -4.96 113.62 116.58 1wic n SER 6 Ca -0.03 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1wic n SER 6 Cb 0.59 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 60.30 1wic n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 7 N -3.76 4.36 3.58 0.23 0.00 -1.26 -4.77 105.19 103.58 1wic n GLY 7 Ca -0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 1wic n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wic s LYS 8 N 3.46 0.56 -0.14 1.61 2.47 -1.26 -4.99 119.74 121.45 1wic s LYS 8 Ca 0.00 -0.23 -0.29 0.00 -1.56 0.00 0.00 55.97 53.89 1wic s LYS 8 Cb 0.00 0.24 0.08 0.00 -1.46 0.00 0.00 37.83 36.68 1wic s LYS 8 CO 0.00 -0.25 0.73 -1.59 0.16 0.00 0.00 175.35 174.40 1wic s LYS 9 N -2.72 0.94 0.69 4.03 -2.85 -1.26 -5.17 119.74 113.41 1wic s LYS 9 Ca 0.09 0.50 -0.11 0.00 -1.00 0.00 0.00 55.97 55.45 1wic s LYS 9 Cb -0.00 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1wic s LYS 9 CO -0.05 -0.24 1.06 -1.25 0.10 0.00 0.00 175.35 174.97 1wic s PRO 10 N -0.62 2.94 -0.18 1.78 0.04 -1.26 -5.06 135.00 132.64 1wic s PRO 10 Ca -0.06 0.96 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1wic s PRO 10 Cb -0.02 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1wic s PRO 10 CO 0.06 -1.10 -0.20 -0.51 0.04 0.00 0.00 177.00 175.30 1wic s LEU 11 N -5.54 2.18 0.13 -3.56 1.43 -1.26 -5.11 118.68 106.95 1wic s LEU 11 Ca 0.58 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1wic s LEU 11 Cb -0.14 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1wic s LEU 11 CO 0.55 -0.01 -0.21 -0.44 0.23 0.00 0.00 176.35 176.48 1wic s SER 12 N 1.29 2.70 0.05 2.29 0.01 -1.26 -5.08 113.70 113.71 1wic s SER 12 Ca 0.05 -0.76 0.05 0.00 1.31 0.00 0.00 55.95 56.59 1wic s SER 12 Cb -0.13 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1wic s SER 12 CO -0.13 0.04 -0.14 0.68 0.41 0.00 0.00 173.24 174.11 1wic s VAL 13 N -1.48 1.10 -0.80 3.43 -7.23 -1.26 -0.45 120.40 113.72 1wic s VAL 13 Ca 0.11 -1.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 1wic s VAL 13 Cb -0.08 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.83 1wic s VAL 13 CO 0.05 -0.11 1.64 0.12 -0.31 0.00 0.00 175.10 176.49 1wic s PHE 14 N -1.06 2.04 -0.73 2.82 5.36 -0.21 -4.74 117.98 121.46 1wic s PHE 14 Ca -0.00 0.19 -0.25 0.00 -0.96 0.00 0.00 56.93 55.90 1wic s PHE 14 Cb -0.09 -4.35 -0.14 0.00 -0.34 0.00 0.00 43.02 38.10 1wic s PHE 14 CO 0.02 -2.04 2.41 1.63 -1.46 0.00 0.00 175.22 175.78 1wic n LYS 15 N 9.10 0.63 -2.76 10.12 4.01 -1.26 -2.93 118.16 135.07 1wic n LYS 15 Ca 0.23 -0.57 -0.32 0.00 -0.51 0.00 0.00 58.31 57.14 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 10.56 2.10 0.39 0.72 0.00 -1.26 -4.97 107.32 114.86 1wic s GLY 16 Ca 0.98 0.03 0.27 0.00 0.00 0.00 0.00 44.72 46.00 1wic s GLY 16 CO 0.17 0.26 1.78 -0.56 0.00 0.00 0.00 173.10 174.74 1wic h PRO 17 N 1.41 0.00 0.00 2.90 0.13 -2.00 -3.41 132.00 131.03 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 0.63 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 1wic n LEU 18 N -2.74 0.00 -4.47 1.56 4.77 -1.26 -4.66 117.00 110.20 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 0.38 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1wic n LEU 18 CO 0.28 -0.21 -0.40 -0.22 -1.33 0.00 0.00 177.39 175.51 1wic s LEU 19 N -3.25 3.00 0.54 2.23 1.98 -1.26 -2.61 118.68 119.30 1wic s LEU 19 Ca 0.00 -0.18 -0.15 0.00 -2.89 0.00 0.00 54.13 50.91 1wic s LEU 19 Cb 0.00 -1.68 -0.07 0.00 0.66 0.00 0.00 46.19 45.10 1wic s LEU 19 CO 0.00 0.22 0.99 -1.00 -1.89 0.00 0.00 176.35 174.67 1wic s HIS 20 N 0.02 3.50 -0.10 5.38 3.76 0.17 -4.16 115.29 123.87 1wic s HIS 20 Ca -0.02 1.41 0.02 0.00 -0.15 0.00 0.00 55.06 56.32 1wic s HIS 20 Cb -0.14 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 30.81 1wic s HIS 20 CO 0.03 -0.44 -0.15 0.42 -0.85 0.00 0.00 174.74 173.76 1wic s ILE 21 N -2.76 1.43 -0.06 0.60 -1.09 -1.15 -3.02 121.20 115.16 1wic s ILE 21 Ca 0.58 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1wic s ILE 21 Cb -0.10 -1.30 0.02 0.00 -1.58 0.00 0.00 42.46 39.50 1wic s ILE 21 CO 0.37 0.43 -0.04 -0.44 -1.23 0.00 0.00 174.94 174.03 1wic s SER 22 N 0.89 1.26 1.04 3.58 0.01 0.20 -1.05 113.70 119.64 1wic s SER 22 Ca -0.09 -0.14 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 1wic s SER 22 Cb -0.15 -0.49 0.09 0.00 0.21 0.00 0.00 66.02 65.68 1wic s SER 22 CO 0.00 -0.10 0.42 -0.81 0.41 0.00 0.00 173.24 173.17 1wic n PRO 23 N 4.43 -1.09 0.00 12.44 -0.04 -1.26 0.97 135.00 150.45 1wic n PRO 23 Ca -0.19 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1wic n PRO 23 Cb 0.51 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -3.47 0.00 -3.11 0.55 0.00 0.41 -4.49 120.51 110.39 1wic n ALA 24 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1wic n ALA 24 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.41 0.87 -3.15 0.00 1.02 -1.26 -4.63 120.64 113.08 1wic n GLU 25 Ca 0.00 -3.07 0.04 0.00 -0.02 0.00 0.00 57.16 54.11 1wic n GLU 25 Cb 0.00 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.51 0.49 -0.14 3.49 4.04 -1.25 -4.37 118.70 119.44 1wic s GLU 26 Ca 0.36 0.66 -0.06 0.00 0.04 0.00 0.00 54.97 55.97 1wic s GLU 26 Cb 0.27 0.34 -0.04 0.00 0.02 0.00 0.00 34.13 34.72 1wic s GLU 26 CO -0.10 -0.74 0.08 -0.51 -1.84 0.00 0.00 175.26 172.15 1wic s LEU 27 N 2.86 3.97 -0.39 1.83 1.43 0.27 -4.72 118.68 123.93 1wic s LEU 27 Ca 0.15 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1wic s LEU 27 Cb -0.11 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.26 1wic s LEU 27 CO -0.22 0.30 0.19 -0.31 0.23 0.00 0.00 176.35 176.53 1wic s TYR 28 N -0.37 1.94 -1.13 0.29 2.02 -1.26 0.81 117.35 119.65 1wic s TYR 28 Ca 0.10 -2.23 -0.22 0.00 -0.37 0.00 0.00 57.07 54.35 1wic s TYR 28 Cb -0.12 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1wic s TYR 28 CO 0.02 -0.82 1.73 -0.06 -1.57 0.00 0.00 175.55 174.85 1wic s PHE 29 N 0.76 2.37 0.00 2.71 0.40 -1.26 -4.65 117.98 118.31 1wic s PHE 29 Ca 0.15 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1wic s PHE 29 Cb -0.22 -4.46 0.00 0.00 0.51 0.00 0.00 43.02 38.85 1wic s PHE 29 CO -0.07 -1.71 0.00 0.41 0.70 0.00 0.00 175.22 174.55 1wic n GLY 30 N 6.15 1.04 3.96 4.36 0.00 -1.26 -4.85 105.19 114.60 1wic n GLY 30 Ca 0.42 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.72 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 6.07 0.50 1.61 0.15 -1.26 -4.97 113.70 115.80 1wic s SER 31 Ca 0.00 0.23 0.24 0.00 0.70 0.00 0.00 55.95 57.11 1wic s SER 31 Cb 0.00 -1.68 1.32 0.00 -1.71 0.00 0.00 66.02 63.95 1wic s SER 31 CO 0.00 -0.45 1.96 -0.29 1.20 0.00 0.00 173.24 175.67 1wic h ILE 32 N 0.69 0.72 -4.07 6.45 2.10 -2.00 -3.41 117.51 117.99 1wic h ILE 32 Ca -0.48 -0.04 -0.49 0.00 1.08 0.00 0.00 64.86 64.93 1wic h ILE 32 Cb 1.24 0.61 0.06 0.00 -1.09 0.00 0.00 36.82 37.64 1wic h ILE 32 CO 0.58 0.02 0.42 -1.61 -1.08 0.00 0.00 178.15 176.48 1wic s GLU 33 N -5.11 3.51 -0.30 2.19 0.41 -1.26 -4.92 118.70 113.23 1wic s GLU 33 Ca -0.06 1.56 0.02 0.00 -0.41 0.00 0.00 54.97 56.08 1wic s GLU 33 Cb 0.20 -2.07 0.42 0.00 -1.78 0.00 0.00 34.13 30.90 1wic s GLU 33 CO 0.75 -0.71 1.62 0.43 -0.49 0.00 0.00 175.26 176.86 1wic n SER 34 N -1.13 3.73 0.00 -0.19 7.64 -1.26 -4.70 113.62 117.70 1wic n SER 34 Ca 0.11 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1wic n SER 34 Cb 0.51 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1wic n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wic n GLY 35 N -0.51 0.81 3.95 0.23 0.00 -1.26 -5.07 105.19 103.34 1wic n GLY 35 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 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 1.16 3.39 -0.69 1.61 8.01 -1.26 -5.05 118.70 125.88 1wic s GLU 36 Ca 0.00 -0.72 0.04 0.00 0.01 0.00 0.00 54.97 54.30 1wic s GLU 36 Cb 0.00 -2.89 0.31 0.00 -4.31 0.00 0.00 34.13 27.24 1wic s GLU 36 CO 0.00 0.46 1.06 1.63 0.01 0.00 0.00 175.26 178.43 1wic n LYS 37 N -1.04 3.47 -4.74 1.61 5.02 -1.26 -4.32 118.16 116.89 1wic n LYS 37 Ca -0.08 -4.77 -0.32 0.00 -2.02 0.00 0.00 58.31 51.12 1wic n LYS 37 Cb 0.56 -2.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.14 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 -3.31 2.27 -0.05 1.97 0.00 -1.26 -4.33 119.74 115.03 1wic s LYS 38 Ca 0.44 -0.86 -0.04 0.00 0.00 0.00 0.00 55.97 55.51 1wic s LYS 38 Cb 0.22 -2.28 -0.04 0.00 0.00 0.00 0.00 37.83 35.73 1wic s LYS 38 CO -0.09 0.57 0.15 -0.08 0.00 0.00 0.00 175.35 175.91 1wic s THR 39 N -0.86 5.35 -0.19 3.79 -1.32 -0.69 -4.75 115.64 116.97 1wic s THR 39 Ca 0.14 -0.07 -0.01 0.00 -1.21 0.00 0.00 61.69 60.54 1wic s THR 39 Cb -0.11 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.46 1wic s THR 39 CO 0.04 0.43 -0.15 -0.22 -2.21 0.00 0.00 174.62 172.51 1wic s LEU 40 N -1.59 2.39 0.19 9.08 2.96 -1.26 0.26 118.68 130.71 1wic s LEU 40 Ca 0.22 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 1wic s LEU 40 Cb -0.12 -1.57 -0.07 0.00 0.50 0.00 0.00 46.19 44.93 1wic s LEU 40 CO 0.13 -0.00 0.54 -0.63 -1.32 0.00 0.00 176.35 175.07 1wic s ILE 41 N 1.32 4.90 -0.08 6.68 1.01 0.25 -4.70 121.20 130.58 1wic s ILE 41 Ca 0.05 0.63 0.05 0.00 0.00 0.00 0.00 60.65 61.37 1wic s ILE 41 Cb -0.14 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1wic s ILE 41 CO -0.09 0.08 -0.24 -0.69 0.00 0.00 0.00 174.94 174.00 1wic s VAL 42 N -1.65 2.00 -0.25 2.92 1.01 0.27 -0.45 120.40 124.25 1wic s VAL 42 Ca 0.43 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1wic s VAL 42 Cb -0.13 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.59 1wic s VAL 42 CO 0.20 0.55 -0.10 -0.76 0.00 0.00 0.00 175.10 174.99 1wic s LEU 43 N 0.17 3.17 -0.42 3.92 1.43 -1.10 0.63 118.68 126.47 1wic s LEU 43 Ca -0.13 -1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 51.53 1wic s LEU 43 Cb -0.16 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.64 1wic s LEU 43 CO 0.07 -0.19 0.31 -0.89 0.23 0.00 0.00 176.35 175.87 1wic s THR 44 N 1.18 5.07 -0.75 5.49 2.01 -1.17 -1.20 115.64 126.28 1wic s THR 44 Ca -0.07 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 60.82 1wic s THR 44 Cb -0.19 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1wic s THR 44 CO -0.06 -0.38 1.55 0.21 -0.69 0.00 0.00 174.62 175.25 1wic s ASN 45 N 1.92 5.84 0.09 3.53 2.47 -0.97 -0.65 114.94 127.16 1wic s ASN 45 Ca 0.04 -0.36 -0.16 0.00 0.42 0.00 0.00 52.86 52.80 1wic s ASN 45 Cb -0.21 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 36.95 1wic s ASN 45 CO 0.08 -2.05 1.43 -0.37 -3.72 0.00 0.00 177.10 172.48 1wic h VAL 46 N 6.51 1.30 -2.69 -5.21 -1.51 -1.84 -1.91 116.25 110.91 1wic h VAL 46 Ca -0.17 -1.33 -0.51 0.00 -1.23 0.00 0.00 66.70 63.45 1wic h VAL 46 Cb 1.08 1.57 0.23 0.00 -2.13 0.00 0.00 31.29 32.03 1wic h VAL 46 CO 1.27 0.42 -1.11 0.35 -1.23 0.00 0.00 177.57 177.27 1wic n THR 47 N -4.37 0.00 -0.64 7.19 -2.24 -1.20 -4.66 114.28 108.36 1wic n THR 47 Ca -0.04 -0.26 0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1wic n THR 47 Cb 0.41 -0.45 0.37 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.67 3.81 -4.29 -0.78 4.81 -1.26 -3.81 118.16 115.97 1wic n LYS 48 Ca 0.03 -2.92 -0.16 0.00 -0.87 0.00 0.00 58.31 54.39 1wic n LYS 48 Cb 0.58 -1.92 -0.10 0.00 0.02 0.00 0.00 35.03 33.61 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1wic s ASN 49 N -0.90 1.99 0.52 3.14 0.01 -1.26 -4.78 114.94 113.66 1wic s ASN 49 Ca 0.52 -1.06 -0.23 0.00 -0.71 0.00 0.00 52.86 51.38 1wic s ASN 49 Cb 0.34 -0.04 -0.06 0.00 0.41 0.00 0.00 41.25 41.90 1wic s ASN 49 CO 0.25 -0.34 1.35 -0.63 -1.51 0.00 0.00 177.10 176.23 1wic s ILE 50 N -3.26 2.17 -0.10 0.60 1.01 -1.26 -4.03 121.20 116.33 1wic s ILE 50 Ca 0.21 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 1wic s ILE 50 Cb 0.03 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1wic s ILE 50 CO 0.04 0.00 0.01 -0.69 0.00 0.00 0.00 174.94 174.30 1wic s VAL 51 N -1.30 0.42 -0.33 2.92 1.01 -1.14 -0.91 120.40 121.07 1wic s VAL 51 Ca 0.69 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 1wic s VAL 51 Cb -0.40 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wic s VAL 51 CO 0.48 0.18 0.93 0.00 0.00 0.00 0.00 175.10 176.69 1wic s ALA 52 N 1.94 3.48 0.16 5.51 0.00 -0.51 -1.29 121.76 131.05 1wic s ALA 52 Ca 0.04 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.75 1wic s ALA 52 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1wic s ALA 52 CO -0.06 -1.43 -0.02 -0.59 0.00 0.00 0.00 175.76 173.66 1wic s PHE 53 N 3.36 2.83 -0.06 0.00 -0.71 -0.13 -1.94 117.98 121.32 1wic s PHE 53 Ca 0.38 -0.13 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 1wic s PHE 53 Cb -0.13 -1.40 0.02 0.00 -1.21 0.00 0.00 43.02 40.31 1wic s PHE 53 CO 0.16 0.50 0.16 0.15 -1.34 0.00 0.00 175.22 174.84 1wic s LYS 54 N -2.77 0.17 -0.17 1.99 1.02 -0.75 -2.70 119.74 116.53 1wic s LYS 54 Ca 0.26 0.25 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 1wic s LYS 54 Cb -0.10 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1wic s LYS 54 CO 0.18 -0.05 0.03 0.08 -0.92 0.00 0.00 175.35 174.67 1wic s VAL 55 N 0.28 4.48 0.31 3.17 1.01 -0.72 0.20 120.40 129.13 1wic s VAL 55 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1wic s VAL 55 Cb -0.03 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1wic s VAL 55 CO -0.01 0.48 0.11 -0.13 0.00 0.00 0.00 175.10 175.55 1wic s ARG 56 N 0.28 1.61 -0.02 2.72 0.52 0.34 -4.85 118.95 119.55 1wic s ARG 56 Ca 0.01 -1.91 -0.30 0.00 -0.52 0.00 0.00 55.73 53.02 1wic s ARG 56 Cb -0.13 -0.43 0.11 0.00 0.52 0.00 0.00 34.95 35.02 1wic s ARG 56 CO 0.01 -0.34 0.97 -0.08 0.02 0.00 0.00 175.30 175.88 1wic s THR 57 N -3.51 0.00 -1.08 0.02 -1.32 -1.26 0.11 115.64 108.60 1wic s THR 57 Ca 0.34 -0.08 0.18 0.00 -1.21 0.00 0.00 61.69 60.93 1wic s THR 57 Cb 0.06 -1.14 0.18 0.00 -1.51 0.00 0.00 72.50 70.10 1wic s THR 57 CO 0.15 0.00 1.58 0.35 -2.21 0.00 0.00 174.62 174.50 1wic n THR 58 N -0.25 0.69 -3.03 5.08 -2.24 -1.05 -3.84 114.28 109.63 1wic n THR 58 Ca -0.07 0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1wic n THR 58 Cb 0.61 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.46 0.60 0.32 6.98 0.00 -1.26 -4.95 120.51 120.74 1wic n ALA 59 Ca 0.05 -2.30 0.14 0.00 0.00 0.00 0.00 53.44 51.33 1wic n ALA 59 Cb 0.20 -1.08 0.44 0.00 0.00 0.00 0.00 19.45 19.01 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 4.59 0.00 -0.40 0.00 0.13 -1.84 -2.50 132.00 131.97 1wic h PRO 60 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1wic h PRO 60 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1wic h PRO 60 CO 0.31 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.23 1wic n GLU 61 N -2.87 1.88 0.00 0.86 0.28 -1.26 -3.86 120.64 115.67 1wic n GLU 61 Ca 0.03 -1.15 0.00 0.00 -0.16 0.00 0.00 57.16 55.88 1wic n GLU 61 Cb 0.39 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.92 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 0.38 0.00 -3.94 3.44 5.02 -1.01 -5.00 118.16 117.04 1wic n LYS 62 Ca 0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 1wic n LYS 62 Cb 0.33 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.88 3.30 -0.64 2.13 2.02 -0.97 -0.85 117.35 120.45 1wic s TYR 63 Ca 0.00 0.16 -0.25 0.00 -0.37 0.00 0.00 57.07 56.61 1wic s TYR 63 Cb 0.00 -2.09 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1wic s TYR 63 CO 0.00 0.22 1.06 0.50 -1.57 0.00 0.00 175.55 175.76 1wic s ARG 64 N 0.28 3.22 -0.25 -0.62 6.06 0.54 -4.71 118.95 123.47 1wic s ARG 64 Ca 0.05 -0.44 -0.06 0.00 -2.50 0.00 0.00 55.73 52.78 1wic s ARG 64 Cb -0.12 -4.15 -0.02 0.00 0.06 0.00 0.00 34.95 30.72 1wic s ARG 64 CO -0.00 -1.80 0.04 0.14 -2.50 0.00 0.00 175.30 171.18 1wic s VAL 65 N 4.54 4.00 -0.26 7.11 -7.23 -1.26 -1.46 120.40 125.84 1wic s VAL 65 Ca 0.29 -0.36 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1wic s VAL 65 Cb -0.13 -2.90 0.07 0.00 0.56 0.00 0.00 36.38 33.99 1wic s VAL 65 CO 0.15 0.31 0.66 -0.75 -0.31 0.00 0.00 175.10 175.15 1wic s LYS 66 N 1.56 0.70 0.40 4.82 2.20 -0.78 -3.66 119.74 124.99 1wic s LYS 66 Ca 0.05 1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 56.51 1wic s LYS 66 Cb -0.15 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.28 1wic s LYS 66 CO 0.02 -0.13 1.06 -1.25 -0.36 0.00 0.00 175.35 174.68 1wic s PRO 67 N 1.18 4.14 0.00 4.03 0.04 -1.26 -0.48 135.00 142.65 1wic s PRO 67 Ca -0.07 1.52 0.09 0.00 0.04 0.00 0.00 61.00 62.58 1wic s PRO 67 Cb -0.05 -2.52 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 1wic s PRO 67 CO -0.12 -0.17 0.46 -1.13 0.04 0.00 0.00 177.00 176.08 1wic n SER 68 N -0.11 0.72 -3.40 6.66 3.41 -1.24 -4.68 113.62 114.98 1wic n SER 68 Ca 0.05 -0.86 -0.17 0.00 -0.26 0.00 0.00 58.87 57.63 1wic n SER 68 Cb 0.50 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 65.13 1wic n SER 68 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1wic s ASN 69 N -1.60 1.63 0.01 4.04 0.01 -1.26 -1.76 114.94 116.02 1wic s ASN 69 Ca 0.05 -0.89 -0.02 0.00 -0.71 0.00 0.00 52.86 51.28 1wic s ASN 69 Cb 0.07 0.50 0.01 0.00 0.41 0.00 0.00 41.25 42.24 1wic s ASN 69 CO 0.30 -0.37 0.11 -1.20 -1.51 0.00 0.00 177.10 174.44 1wic n SER 70 N 5.15 -0.17 -4.37 -1.22 7.64 -1.10 -4.96 113.62 114.60 1wic n SER 70 Ca -0.00 -1.08 -0.20 0.00 1.01 0.00 0.00 58.87 58.60 1wic n SER 70 Cb 0.46 0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 63.83 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wic s SER 71 N -1.26 2.02 -0.13 6.43 0.15 -1.26 -0.96 113.70 118.69 1wic s SER 71 Ca 0.03 -1.41 -0.02 0.00 0.70 0.00 0.00 55.95 55.24 1wic s SER 71 Cb -0.00 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1wic s SER 71 CO 0.00 -0.68 0.01 0.00 1.20 0.00 0.00 173.24 173.77 1wic n ASP 73 N 5.09 -1.67 -4.69 0.00 9.92 -1.26 -2.91 116.55 121.04 1wic n ASP 73 Ca -0.08 0.33 -0.42 0.00 -0.53 0.00 0.00 54.79 54.08 1wic n ASP 73 Cb 0.49 -1.25 -0.03 0.00 -0.64 0.00 0.00 41.12 39.69 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 -3.81 4.34 0.00 -0.24 0.04 -1.26 -2.98 135.00 131.08 1wic s PRO 74 Ca 0.59 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1wic s PRO 74 Cb -0.21 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1wic s PRO 74 CO 0.66 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1wic n GLY 75 N 3.41 0.84 3.07 0.56 0.00 -0.72 -4.93 105.19 107.42 1wic n GLY 75 Ca 0.11 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1wic n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wic s ALA 76 N -2.00 0.06 -0.06 4.61 0.00 -1.16 -5.01 121.76 118.21 1wic s ALA 76 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1wic s ALA 76 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1wic s ALA 76 CO 0.00 -0.27 -0.15 -1.54 0.00 0.00 0.00 175.76 173.80 1wic s SER 77 N -2.00 3.97 0.44 0.00 1.04 -1.26 -2.28 113.70 113.60 1wic s SER 77 Ca -0.07 -0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.21 1wic s SER 77 Cb -0.03 -0.91 -0.00 0.00 0.10 0.00 0.00 66.02 65.19 1wic s SER 77 CO -0.04 0.32 0.46 -0.51 0.98 0.00 0.00 173.24 174.45 1wic s ILE 78 N -0.60 2.65 -0.08 -1.02 2.07 -0.34 -4.92 121.20 118.95 1wic s ILE 78 Ca 0.09 -1.24 0.00 0.00 -1.41 0.00 0.00 60.65 58.09 1wic s ILE 78 Cb -0.11 -2.89 0.02 0.00 0.13 0.00 0.00 42.46 39.61 1wic s ILE 78 CO 0.01 0.00 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.16 1wic s ASP 79 N -4.23 1.77 -0.26 4.50 1.01 -1.26 -2.71 116.67 115.48 1wic s ASP 79 Ca 0.50 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.54 1wic s ASP 79 Cb -0.05 -0.70 0.05 0.00 1.01 0.00 0.00 42.92 43.23 1wic s ASP 79 CO 0.29 -0.08 -0.10 -0.63 0.21 0.00 0.00 175.17 174.87 1wic s ILE 80 N 1.36 2.36 0.30 0.77 -1.09 0.40 -4.01 121.20 121.30 1wic s ILE 80 Ca -0.03 -1.47 -0.22 0.00 -2.23 0.00 0.00 60.65 56.70 1wic s ILE 80 Cb -0.14 -2.33 -0.09 0.00 -1.58 0.00 0.00 42.46 38.32 1wic s ILE 80 CO -0.03 0.03 0.85 -0.63 -1.23 0.00 0.00 174.94 173.93 1wic s ILE 81 N 1.16 4.39 -0.30 2.92 1.09 0.37 0.87 121.20 131.70 1wic s ILE 81 Ca -0.06 1.53 -0.03 0.00 -1.10 0.00 0.00 60.65 60.99 1wic s ILE 81 Cb -0.19 -3.88 0.11 0.00 -1.06 0.00 0.00 42.46 37.44 1wic s ILE 81 CO -0.05 0.08 0.15 -0.69 -0.10 0.00 0.00 174.94 174.33 1wic s VAL 82 N -1.68 0.04 -0.10 2.92 1.01 0.14 -1.87 120.40 120.86 1wic s VAL 82 Ca 0.49 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1wic s VAL 82 Cb -0.16 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1wic s VAL 82 CO 0.21 -0.78 -0.21 -0.55 0.00 0.00 0.00 175.10 173.77 1wic s SER 83 N 1.85 3.35 0.91 3.32 0.15 -0.54 -1.70 113.70 121.04 1wic s SER 83 Ca 0.11 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.15 1wic s SER 83 Cb -0.18 -1.41 0.14 0.00 -1.71 0.00 0.00 66.02 62.87 1wic s SER 83 CO -0.28 0.17 1.14 -2.16 1.20 0.00 0.00 173.24 173.31 1wic s PRO 84 N 0.28 1.14 0.78 5.44 0.04 -1.26 0.20 135.00 141.62 1wic s PRO 84 Ca -0.15 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.03 1wic s PRO 84 Cb -0.17 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1wic s PRO 84 CO 0.08 -2.20 0.97 1.58 0.04 0.00 0.00 177.00 177.46 1wic n HIS 85 N -3.77 0.57 -1.05 0.56 -0.00 -0.03 -4.76 115.22 106.74 1wic n HIS 85 Ca 0.07 0.38 -0.17 0.00 0.46 0.00 0.00 57.72 58.45 1wic n HIS 85 Cb 0.59 -2.05 -0.03 0.00 -0.12 0.00 0.00 29.99 28.38 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 0.97 3.80 2.06 1.57 0.00 -1.26 -3.94 105.19 108.39 1wic n GLY 86 Ca 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 1.00 -0.85 0.00 -0.02 0.00 -1.26 -5.14 105.19 98.93 1wic n GLY 87 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.84 0.00 -4.20 0.99 -0.00 -1.25 -5.12 117.00 104.58 1wic n LEU 88 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 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 -0.27 -0.19 0.28 -0.00 0.00 0.00 177.39 177.21 1wic s THR 89 N -0.51 0.00 -0.02 1.47 -1.32 -1.26 -4.82 115.64 109.18 1wic s THR 89 Ca 0.00 -1.96 -0.30 0.00 -1.21 0.00 0.00 61.69 58.22 1wic s THR 89 Cb 0.00 -2.49 -0.06 0.00 -1.51 0.00 0.00 72.50 68.44 1wic s THR 89 CO 0.00 0.00 1.61 -0.69 -2.21 0.00 0.00 174.62 173.33 1wic s VAL 90 N -4.02 3.49 0.00 5.08 1.01 -1.26 -4.99 120.40 119.70 1wic s VAL 90 Ca 0.38 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1wic s VAL 90 Cb 0.06 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1wic s VAL 90 CO 0.14 -0.04 0.00 -0.24 0.00 0.00 0.00 175.10 174.96 1wic n SER 91 N 6.48 0.00 -0.00 3.32 2.88 -1.26 -5.01 113.62 120.03 1wic n SER 91 Ca 0.16 -0.28 -0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wic n SER 91 Cb 0.42 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1wic n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wic n ALA 92 N -3.00 2.17 0.37 -1.46 0.00 -1.26 -4.62 120.51 112.71 1wic n ALA 92 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1wic n ALA 92 Cb 0.00 0.49 0.51 0.00 0.00 0.00 0.00 19.45 20.45 1wic n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wic n GLN 93 N -2.60 0.20 -1.92 0.00 10.64 -1.26 -4.72 117.38 117.71 1wic n GLN 93 Ca -0.01 0.45 -0.42 0.00 -1.83 0.00 0.00 57.00 55.19 1wic n GLN 93 Cb 0.51 -1.89 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 1wic n GLN 93 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1wic s ASP 94 N -4.26 6.56 0.01 2.61 -4.77 -1.26 -5.00 116.67 110.56 1wic s ASP 94 Ca 0.04 2.68 0.02 0.00 -3.30 0.00 0.00 52.55 51.98 1wic s ASP 94 Cb 0.09 -2.60 -0.01 0.00 -1.09 0.00 0.00 42.92 39.31 1wic s ASP 94 CO 0.38 -0.82 -0.07 -0.60 0.70 0.00 0.00 175.17 174.76 1wic s ARG 95 N 0.68 0.52 0.13 2.11 6.06 -1.26 -4.43 118.95 122.76 1wic s ARG 95 Ca 0.68 -0.39 0.07 0.00 -2.50 0.00 0.00 55.73 53.58 1wic s ARG 95 Cb -0.44 -0.44 -0.04 0.00 0.06 0.00 0.00 34.95 34.09 1wic s ARG 95 CO 0.35 0.11 -0.04 -0.06 -2.50 0.00 0.00 175.30 173.17 1wic s PHE 96 N -0.52 2.85 0.03 5.12 0.08 -1.12 -2.54 117.98 121.88 1wic s PHE 96 Ca -0.01 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 56.97 1wic s PHE 96 Cb -0.05 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1wic s PHE 96 CO 0.00 0.48 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.30 1wic s LEU 97 N -2.51 2.15 -0.06 -0.37 2.96 0.30 0.15 118.68 121.29 1wic s LEU 97 Ca 0.25 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1wic s LEU 97 Cb -0.11 -0.52 0.03 0.00 0.50 0.00 0.00 46.19 46.09 1wic s LEU 97 CO 0.17 0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.57 1wic s ILE 98 N -0.78 0.48 0.20 6.68 1.01 0.17 0.13 121.20 129.08 1wic s ILE 98 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1wic s ILE 98 Cb -0.07 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1wic s ILE 98 CO 0.01 0.25 0.35 -0.04 0.00 0.00 0.00 174.94 175.52 1wic s MET 99 N 1.56 3.47 -0.30 2.79 -1.94 0.54 0.60 119.30 126.02 1wic s MET 99 Ca -0.01 -0.51 -0.09 0.00 -1.71 0.00 0.00 55.69 53.36 1wic s MET 99 Cb -0.13 -2.89 0.15 0.00 2.01 0.00 0.00 34.83 33.97 1wic s MET 99 CO -0.04 0.44 0.72 0.00 -0.01 0.00 0.00 175.02 176.13 1wic s ALA 100 N -1.87 -2.27 -0.03 3.03 0.00 0.53 -1.82 121.76 119.34 1wic s ALA 100 Ca 0.36 2.17 0.01 0.00 0.00 0.00 0.00 51.96 54.50 1wic s ALA 100 Cb -0.11 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1wic s ALA 100 CO 0.29 -1.03 -0.03 0.00 0.00 0.00 0.00 175.76 174.99 1wic s ALA 101 N 2.81 0.48 0.03 0.00 0.00 -0.82 -1.01 121.76 123.25 1wic s ALA 101 Ca -0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 1wic s ALA 101 Cb -0.11 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 1wic s ALA 101 CO -0.19 0.02 1.34 -2.00 0.00 0.00 0.00 175.76 174.93 1wic s GLU 102 N 0.57 4.33 0.69 0.00 -6.30 -1.26 -1.42 118.70 115.30 1wic s GLU 102 Ca -0.07 1.91 -0.05 0.00 -2.50 0.00 0.00 54.97 54.27 1wic s GLU 102 Cb -0.10 -3.46 0.08 0.00 0.00 0.00 0.00 34.13 30.65 1wic s GLU 102 CO -0.00 -0.47 0.98 -1.64 0.02 0.00 0.00 175.26 174.14 1wic s MET 103 N 1.85 2.07 0.00 4.30 -1.94 -0.09 -4.95 119.30 120.55 1wic s MET 103 Ca 0.62 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1wic s MET 103 Cb -0.31 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.28 1wic s MET 103 CO 0.27 -1.24 0.00 0.39 -0.01 0.00 0.00 175.02 174.43 1wic n GLU 104 N -2.84 3.02 0.00 2.03 1.02 -1.26 -4.69 120.64 117.92 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 -3.36 3.49 6.02 -1.26 -4.64 117.38 117.63 1wic n GLN 105 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 1wic n GLN 105 Cb 0.00 -0.07 -0.07 0.00 1.02 0.00 0.00 30.24 31.12 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 -1.00 6.16 -0.05 1.08 0.01 -1.26 -4.68 113.70 113.96 1wic s SER 106 Ca 0.00 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 55.99 1wic s SER 106 Cb 0.00 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1wic s SER 106 CO 0.00 -0.68 -0.04 -0.55 0.41 0.00 0.00 173.24 172.38 1wic s SER 107 N 2.63 1.00 1.09 2.44 0.15 -1.26 -5.15 113.70 114.59 1wic s SER 107 Ca 0.06 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.54 1wic s SER 107 Cb -0.24 -0.44 0.07 0.00 -1.71 0.00 0.00 66.02 63.71 1wic s SER 107 CO 0.07 -0.07 0.16 0.61 1.20 0.00 0.00 173.24 175.21 1wic n GLY 108 N 4.18 -3.75 2.53 9.45 0.00 -1.26 -5.01 105.19 111.32 1wic n GLY 108 Ca -0.23 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.53 0.54 -3.69 2.61 -2.24 -1.26 -4.76 114.28 101.95 1wic n THR 109 Ca 0.03 -3.34 -0.07 0.00 -2.27 0.00 0.00 64.05 58.39 1wic n THR 109 Cb 0.11 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.02 3.14 0.11 3.38 0.00 -1.26 -4.69 105.19 105.89 1wic n GLY 110 Ca 0.13 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 44.06 1wic n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wic n PRO 111 N -0.74 0.22 0.00 1.61 -0.04 -1.26 -2.53 135.00 132.25 1wic n PRO 111 Ca -0.01 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1wic n PRO 111 Cb 0.16 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1wic n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic n ALA 112 N -1.76 0.00 -0.31 0.55 0.00 -1.26 -3.34 120.51 114.39 1wic n ALA 112 Ca 0.04 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.52 1wic n ALA 112 Cb 0.33 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.07 1wic n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wic n GLU 113 N -1.99 -0.07 0.23 0.00 -0.58 -1.26 -0.30 120.64 116.67 1wic n GLU 113 Ca 0.00 1.35 -0.09 0.00 -0.42 0.00 0.00 57.16 58.00 1wic n GLU 113 Cb 0.00 -2.17 -0.04 0.00 -0.57 0.00 0.00 31.44 28.66 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 -0.50 -1.91 -4.62 3.38 -1.71 0.35 115.31 110.30 1wic h LEU 114 Ca 0.57 0.02 0.55 0.00 0.09 0.00 0.00 57.88 59.11 1wic h LEU 114 Cb 1.23 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 1wic h LEU 114 CO -0.84 -0.36 1.41 -1.28 0.09 0.00 0.00 178.44 177.47 1wic h SER 115 N -0.58 0.00 0.00 -0.43 0.87 -0.66 1.02 113.55 113.77 1wic h SER 115 Ca -0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wic h SER 115 Cb 0.45 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wic h SER 115 CO 0.09 0.00 -0.01 1.56 -0.53 0.00 0.00 176.83 177.94 1wic h GLN 116 N 0.00 0.00 -0.76 2.24 1.08 -0.24 -3.03 115.11 114.40 1wic h GLN 116 Ca 0.90 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 58.17 1wic h GLN 116 Cb 3.71 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 31.09 1wic h GLN 116 CO -0.01 0.68 0.50 0.35 -0.95 0.00 0.00 178.83 179.41 1wic h PHE 117 N -1.00 0.82 0.00 2.96 3.57 0.48 0.81 116.94 124.58 1wic h PHE 117 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1wic h PHE 117 Cb 0.69 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1wic h PHE 117 CO 0.19 0.43 0.00 0.91 -2.23 0.00 0.00 178.31 177.61 1wic n TRP 118 N -4.48 0.00 -0.06 0.41 5.03 0.19 0.78 117.44 119.32 1wic n TRP 118 Ca 0.11 0.00 -0.04 0.00 3.03 0.00 0.00 57.50 60.60 1wic n TRP 118 Cb 0.23 -0.47 -0.15 0.00 -1.03 0.00 0.00 31.31 29.89 1wic n TRP 118 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1wic n LYS 119 N -1.47 0.67 -0.03 -0.99 0.00 0.25 -4.44 118.16 112.15 1wic n LYS 119 Ca 0.06 0.01 -0.21 0.00 0.00 0.00 0.00 58.31 58.16 1wic n LYS 119 Cb 0.23 -1.58 -0.13 0.00 0.00 0.00 0.00 35.03 33.55 1wic n LYS 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1wic n GLU 120 N -2.69 0.71 -2.13 1.64 0.28 0.68 -4.86 120.64 114.27 1wic n GLU 120 Ca -0.22 0.31 -0.42 0.00 -0.16 0.00 0.00 57.16 56.67 1wic n GLU 120 Cb 0.98 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 32.13 1wic n GLU 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wic s VAL 121 N -2.52 3.67 0.39 3.84 0.11 0.23 -4.98 120.40 121.15 1wic s VAL 121 Ca -0.25 0.94 -0.24 0.00 -2.93 0.00 0.00 61.98 59.49 1wic s VAL 121 Cb 0.07 -3.60 -0.09 0.00 -1.53 0.00 0.00 36.38 31.22 1wic s VAL 121 CO 0.72 -0.05 1.06 -2.16 -3.33 0.00 0.00 175.10 171.34 1wic s PRO 122 N 3.25 4.19 0.59 1.54 0.04 -1.26 -4.79 135.00 138.57 1wic s PRO 122 Ca 0.67 1.55 0.29 0.00 0.04 0.00 0.00 61.00 63.55 1wic s PRO 122 Cb -0.32 -2.59 1.41 0.00 0.04 0.00 0.00 34.50 33.04 1wic s PRO 122 CO 0.27 -0.12 1.82 0.07 0.04 0.00 0.00 177.00 179.07 1wic h ARG 123 N 2.60 0.00 0.00 4.56 -0.00 -1.93 1.54 114.38 121.15 1wic h ARG 123 Ca -0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.43 1wic h ARG 123 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.18 1wic h ARG 123 CO 0.63 0.00 -0.33 -0.97 -0.00 0.00 0.00 179.97 179.30 1wic h ASN 124 N 0.00 0.00 0.73 0.08 -1.24 -2.02 -2.24 115.58 110.89 1wic h ASN 124 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 1wic h ASN 124 Cb 1.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1wic h ASN 124 CO -0.00 0.33 -1.25 0.29 -1.29 0.00 0.00 177.43 175.51 1wic n LYS 125 N -3.88 0.60 -2.36 6.67 4.76 0.51 -4.81 118.16 119.66 1wic n LYS 125 Ca -0.01 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 1wic n LYS 125 Cb 0.40 -1.74 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 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 -3.40 3.95 -0.38 -0.18 1.01 -0.17 -4.58 120.40 116.67 1wic s VAL 126 Ca -0.02 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.73 1wic s VAL 126 Cb 0.11 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1wic s VAL 126 CO 0.82 -0.69 0.79 -0.32 0.00 0.00 0.00 175.10 175.70 1wic s MET 127 N 4.75 3.71 -0.16 2.72 1.75 -0.18 -4.89 119.30 127.01 1wic s MET 127 Ca 0.60 0.27 -0.07 0.00 -1.25 0.00 0.00 55.69 55.24 1wic s MET 127 Cb -0.14 -3.83 -0.04 0.00 2.84 0.00 0.00 34.83 33.66 1wic s MET 127 CO 0.30 -0.89 0.09 -1.21 -0.65 0.00 0.00 175.02 172.67 1wic s GLU 128 N 3.15 3.78 -0.20 4.11 2.02 -1.26 -0.35 118.70 129.95 1wic s GLU 128 Ca 0.31 -0.26 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 1wic s GLU 128 Cb -0.13 -3.21 0.05 0.00 0.10 0.00 0.00 34.13 30.94 1wic s GLU 128 CO 0.18 0.46 -0.03 -1.58 0.02 0.00 0.00 175.26 174.31 1wic s HIS 129 N -0.14 1.76 -0.06 1.61 2.46 0.20 -4.92 115.29 116.19 1wic s HIS 129 Ca 0.09 -1.25 -0.21 0.00 0.47 0.00 0.00 55.06 54.15 1wic s HIS 129 Cb -0.12 -1.33 -0.04 0.00 -0.13 0.00 0.00 32.58 30.96 1wic s HIS 129 CO 0.01 -0.67 0.60 1.03 -2.47 0.00 0.00 174.74 173.24 1wic s ARG 130 N 1.61 4.37 0.30 2.88 0.52 -1.26 0.45 118.95 127.82 1wic s ARG 130 Ca -0.02 0.72 0.07 0.00 -0.52 0.00 0.00 55.73 55.97 1wic s ARG 130 Cb -0.17 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1wic s ARG 130 CO -0.07 0.19 0.32 -0.51 0.02 0.00 0.00 175.30 175.26 1wic s LEU 131 N 0.41 3.86 0.21 2.53 1.43 0.39 -4.87 118.68 122.64 1wic s LEU 131 Ca 0.32 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.25 1wic s LEU 131 Cb -0.17 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1wic s LEU 131 CO 0.16 -0.25 -0.19 0.00 0.23 0.00 0.00 176.35 176.30 1wic s ARG 132 N -4.00 1.42 -0.20 1.70 1.04 -1.26 -2.77 118.95 114.88 1wic s ARG 132 Ca 0.39 -1.55 -0.05 0.00 -1.04 0.00 0.00 55.73 53.48 1wic s ARG 132 Cb -0.08 -1.47 -0.02 0.00 -2.04 0.00 0.00 34.95 31.34 1wic s ARG 132 CO 0.28 0.29 -0.01 0.00 -0.04 0.00 0.00 175.30 175.81 1wic n HIS 134 N 4.18 2.72 -1.51 0.00 -0.00 0.24 -4.85 115.22 116.01 1wic n HIS 134 Ca -0.17 -2.72 -0.59 0.00 0.46 0.00 0.00 57.72 54.70 1wic n HIS 134 Cb 0.52 -1.75 -0.08 0.00 -0.12 0.00 0.00 29.99 28.56 1wic n HIS 134 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1wic n THR 135 N 2.74 0.00 -3.03 3.57 -2.24 -1.26 -4.82 114.28 109.25 1wic n THR 135 Ca 0.36 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.74 1wic n THR 135 Cb 0.35 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1wic n THR 135 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wic s VAL 136 N 1.23 4.96 -0.26 2.28 -7.23 -1.26 -5.04 120.40 115.07 1wic s VAL 136 Ca 0.91 1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 62.34 1wic s VAL 136 Cb -1.28 -4.06 0.07 0.00 0.56 0.00 0.00 36.38 31.66 1wic s VAL 136 CO 0.64 0.29 0.70 -1.83 -0.31 0.00 0.00 175.10 174.58 1wic s GLU 137 N 0.54 0.82 -0.61 4.82 -1.05 -1.26 -5.01 118.70 116.94 1wic s GLU 137 Ca 0.38 0.95 -0.19 0.00 -0.15 0.00 0.00 54.97 55.97 1wic s GLU 137 Cb -0.19 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 33.93 1wic s GLU 137 CO 0.20 -0.10 0.64 0.43 0.95 0.00 0.00 175.26 177.38 1wic n SER 138 N 2.67 -5.73 -4.57 0.83 7.64 -1.26 -4.79 113.62 108.41 1wic n SER 138 Ca -0.14 -0.38 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 1wic n SER 138 Cb 0.55 -2.40 -0.03 0.00 -1.01 0.00 0.00 64.21 61.33 1wic n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wic s SER 139 N -2.30 6.06 0.00 6.43 0.01 -1.26 -4.89 113.70 117.75 1wic s SER 139 Ca 0.19 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1wic s SER 139 Cb -0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wic s SER 139 CO 0.86 -1.79 0.00 0.29 0.41 0.00 0.00 173.24 173.01 1wic n LYS 140 N 8.84 0.00 -1.05 12.44 5.02 -1.26 -5.03 118.16 137.12 1wic n LYS 140 Ca 0.11 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 1wic n LYS 140 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.48 1wic n LYS 140 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wic n PRO 141 N -0.09 2.70 -2.90 1.97 -0.04 -1.25 -4.61 135.00 130.79 1wic n PRO 141 Ca 0.00 -1.84 -0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1wic n PRO 141 Cb 0.00 -2.67 -0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.34 -7.13 -1.52 3.54 5.15 -1.26 -4.77 115.26 113.61 1wic n ASN 142 Ca 0.58 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.60 1wic n ASN 142 Cb 0.20 -3.83 0.00 0.00 -0.53 0.00 0.00 39.78 35.63 1wic n ASN 142 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wic n SER 143 N 1.03 -8.25 -0.70 1.20 2.88 -1.26 -4.93 113.62 103.60 1wic n SER 143 Ca -0.02 1.30 0.08 0.00 -1.33 0.00 0.00 58.87 58.90 1wic n SER 143 Cb 0.22 -4.61 -0.02 0.00 -0.75 0.00 0.00 64.21 59.05 1wic n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wic n LEU 144 N -1.21 0.00 -4.20 2.46 7.94 -1.26 -4.87 117.00 115.86 1wic n LEU 144 Ca 0.00 0.60 -0.21 0.00 -1.11 0.00 0.00 56.01 55.29 1wic n LEU 144 Cb 0.09 -1.85 -0.13 0.00 0.53 0.00 0.00 43.42 42.06 1wic n LEU 144 CO 0.00 -1.31 -0.48 -0.32 -1.11 0.00 0.00 177.39 174.17 1wic s MET 145 N -1.19 0.99 -0.30 1.96 1.75 -1.26 -3.83 119.30 117.42 1wic s MET 145 Ca 0.00 -0.95 -0.07 0.00 -1.25 0.00 0.00 55.69 53.42 1wic s MET 145 Cb 0.00 -1.07 0.18 0.00 2.84 0.00 0.00 34.83 36.78 1wic s MET 145 CO 0.00 0.25 0.85 -0.51 -0.65 0.00 0.00 175.02 174.97 1wic s LEU 146 N -1.54 -0.88 -0.30 4.11 1.43 -1.26 -4.82 118.68 115.43 1wic s LEU 146 Ca 0.02 0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 1wic s LEU 146 Cb -0.09 1.71 0.19 0.00 0.03 0.00 0.00 46.19 48.03 1wic s LEU 146 CO 0.02 -0.16 1.18 -0.55 0.23 0.00 0.00 176.35 177.07 1wic s SER 147 N 2.91 -0.19 -0.36 2.29 0.15 -1.26 -4.90 113.70 112.34 1wic s SER 147 Ca 0.10 0.29 0.07 0.00 0.70 0.00 0.00 55.95 57.11 1wic s SER 147 Cb -0.11 1.09 0.19 0.00 -1.71 0.00 0.00 66.02 65.48 1wic s SER 147 CO -0.16 -0.05 0.60 -0.83 1.20 0.00 0.00 173.24 174.00 1wic s GLY 148 N 1.23 -1.20 0.85 9.45 0.00 -1.26 -4.32 107.32 112.07 1wic s GLY 148 Ca -0.08 0.52 -0.14 0.00 0.00 0.00 0.00 44.72 45.02 1wic s GLY 148 CO -0.12 3.62 0.94 -1.55 0.00 0.00 0.00 173.10 175.99 1wic n PRO 149 N 4.86 -1.82 -2.12 2.90 -0.04 -1.26 -4.91 135.00 132.61 1wic n PRO 149 Ca 0.08 -1.47 -0.39 0.00 -0.04 0.00 0.00 63.50 61.68 1wic n PRO 149 Cb 0.55 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 1wic n PRO 149 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wic s SER 150 N -4.28 5.47 0.42 3.54 0.15 -1.26 -4.96 113.70 112.78 1wic s SER 150 Ca 0.57 0.30 0.07 0.00 0.70 0.00 0.00 55.95 57.59 1wic s SER 150 Cb -0.03 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1wic s SER 150 CO 0.41 -2.23 0.25 -0.44 1.20 0.00 0.00 173.24 172.43 1wic s SER 151 N 7.23 4.62 0.00 5.45 0.01 -1.26 -5.32 113.70 124.43 1wic s SER 151 Ca 0.63 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1wic s SER 151 Cb -0.12 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1wic s SER 151 CO 0.21 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.86