#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wic n SER 2 N 0.00 -7.59 -3.58 1.61 7.64 -1.26 -4.99 113.62 105.45 1wic n SER 2 Ca 0.00 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 60.97 1wic n SER 2 Cb 0.00 -4.46 -0.03 0.00 -1.01 0.00 0.00 64.21 58.71 1wic n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wic s SER 3 N -7.04 -0.25 0.00 6.43 0.15 -1.26 -5.06 113.70 106.67 1wic s SER 3 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1wic s SER 3 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1wic s SER 3 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1wic n GLY 4 N 0.27 2.26 0.99 9.45 0.00 -1.26 -5.16 105.19 111.74 1wic n GLY 4 Ca -0.05 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1wic n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wic n SER 5 N 0.00 -5.65 -3.63 1.61 2.88 -1.26 -4.68 113.62 102.90 1wic n SER 5 Ca 0.00 0.88 -0.01 0.00 -1.33 0.00 0.00 58.87 58.42 1wic n SER 5 Cb 0.00 -3.34 -0.01 0.00 -0.75 0.00 0.00 64.21 60.11 1wic n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wic s SER 6 N -6.38 -0.10 0.01 -3.46 0.15 -1.26 -4.64 113.70 98.03 1wic s SER 6 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1wic s SER 6 Cb 0.00 0.20 -0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1wic s SER 6 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wic n GLY 7 N -0.40 4.15 3.24 9.45 0.00 -1.26 -4.99 105.19 115.39 1wic n GLY 7 Ca -0.07 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.04 0.86 0.02 1.61 2.20 -1.26 -5.15 119.74 115.98 1wic s LYS 8 Ca 0.00 -0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.84 1wic s LYS 8 Cb 0.00 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1wic s LYS 8 CO 0.00 -0.29 0.10 -1.59 -0.36 0.00 0.00 175.35 173.22 1wic s LYS 9 N -3.23 0.50 1.03 4.03 -2.85 -1.26 -5.17 119.74 112.80 1wic s LYS 9 Ca -0.00 -0.56 -0.16 0.00 -1.00 0.00 0.00 55.97 54.25 1wic s LYS 9 Cb 0.02 0.20 0.21 0.00 -2.06 0.00 0.00 37.83 36.20 1wic s LYS 9 CO -0.08 -0.12 1.20 -1.25 0.10 0.00 0.00 175.35 175.20 1wic s PRO 10 N -1.85 0.11 -0.06 1.78 0.04 -1.26 -5.05 135.00 128.71 1wic s PRO 10 Ca -0.11 -0.10 -0.07 0.00 0.04 0.00 0.00 61.00 60.76 1wic s PRO 10 Cb -0.06 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1wic s PRO 10 CO -0.01 -2.82 0.21 -0.51 0.04 0.00 0.00 177.00 173.91 1wic s LEU 11 N -6.30 4.39 0.04 -3.56 1.43 -1.26 -5.10 118.68 108.32 1wic s LEU 11 Ca 0.70 0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 54.24 1wic s LEU 11 Cb -0.09 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1wic s LEU 11 CO 0.54 0.34 0.18 -0.44 0.23 0.00 0.00 176.35 177.20 1wic s SER 12 N -1.33 0.06 0.06 2.29 0.01 -1.26 -5.11 113.70 108.42 1wic s SER 12 Ca 0.21 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 57.11 1wic s SER 12 Cb -0.13 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1wic s SER 12 CO 0.10 -0.56 -0.16 0.68 0.41 0.00 0.00 173.24 173.71 1wic s VAL 13 N -2.68 1.23 -0.81 3.43 -7.23 -1.26 -0.99 120.40 112.09 1wic s VAL 13 Ca -0.04 -1.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.70 1wic s VAL 13 Cb -0.01 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.82 1wic s VAL 13 CO -0.05 -0.05 1.54 0.12 -0.31 0.00 0.00 175.10 176.36 1wic s PHE 14 N -1.00 2.14 -0.80 2.82 5.36 -0.17 -4.76 117.98 121.56 1wic s PHE 14 Ca 0.02 0.03 -0.23 0.00 -0.96 0.00 0.00 56.93 55.79 1wic s PHE 14 Cb -0.09 -4.45 -0.19 0.00 -0.34 0.00 0.00 43.02 37.96 1wic s PHE 14 CO 0.02 -2.05 2.41 1.63 -1.46 0.00 0.00 175.22 175.77 1wic n LYS 15 N 9.14 0.44 -2.41 10.12 4.01 -1.26 -2.96 118.16 135.24 1wic n LYS 15 Ca 0.20 -0.28 -0.33 0.00 -0.51 0.00 0.00 58.31 57.39 1wic n LYS 15 Cb 0.50 -2.58 -0.03 0.00 -0.51 0.00 0.00 35.03 32.42 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 8.29 2.27 0.41 0.72 0.00 -1.25 -4.95 107.32 112.80 1wic s GLY 16 Ca 1.12 0.40 0.27 0.00 0.00 0.00 0.00 44.72 46.51 1wic s GLY 16 CO 0.32 0.70 1.78 -0.56 0.00 0.00 0.00 173.10 175.35 1wic h PRO 17 N 1.14 0.00 0.00 2.90 0.13 -1.98 -3.40 132.00 130.78 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 0.60 0.00 -0.09 1.28 -0.23 0.00 0.00 178.00 179.55 1wic n LEU 18 N -2.81 0.26 -4.23 1.56 4.77 -1.26 -4.91 117.00 110.38 1wic n LEU 18 Ca 0.03 0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.97 1wic n LEU 18 Cb 0.39 0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.40 1wic n LEU 18 CO 0.29 -0.68 -0.56 -0.22 -1.33 0.00 0.00 177.39 174.89 1wic s LEU 19 N -6.64 2.08 0.57 2.23 1.98 -1.26 -1.84 118.68 115.80 1wic s LEU 19 Ca 0.00 -0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 50.55 1wic s LEU 19 Cb 0.00 -1.40 -0.05 0.00 0.66 0.00 0.00 46.19 45.40 1wic s LEU 19 CO 0.00 0.19 1.02 -1.00 -1.89 0.00 0.00 176.35 174.66 1wic s HIS 20 N 0.18 3.38 -0.12 5.38 3.76 0.14 -3.93 115.29 124.08 1wic s HIS 20 Ca -0.14 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1wic s HIS 20 Cb -0.17 -2.82 0.02 0.00 1.11 0.00 0.00 32.58 30.73 1wic s HIS 20 CO 0.07 -0.67 -0.12 0.42 -0.85 0.00 0.00 174.74 173.60 1wic s ILE 21 N -2.78 1.32 -0.08 0.60 -1.09 -1.16 -2.93 121.20 115.09 1wic s ILE 21 Ca 0.59 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 1wic s ILE 21 Cb -0.12 -1.26 0.02 0.00 -1.58 0.00 0.00 42.46 39.52 1wic s ILE 21 CO 0.41 0.41 -0.08 -0.44 -1.23 0.00 0.00 174.94 174.01 1wic s SER 22 N 1.40 1.68 1.03 3.58 0.01 0.12 -0.99 113.70 120.53 1wic s SER 22 Ca 0.01 -0.24 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1wic s SER 22 Cb -0.13 -0.70 0.07 0.00 0.21 0.00 0.00 66.02 65.47 1wic s SER 22 CO -0.07 -0.06 0.34 -0.81 0.41 0.00 0.00 173.24 173.06 1wic n PRO 23 N 4.36 -0.98 0.07 12.44 -0.04 -1.26 0.11 135.00 149.70 1wic n PRO 23 Ca -0.18 -0.54 -0.03 0.00 -0.04 0.00 0.00 63.50 62.71 1wic n PRO 23 Cb 0.51 -0.42 -0.01 0.00 -0.04 0.00 0.00 33.50 33.53 1wic n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic h ALA 24 N -2.07 -0.81 -0.32 0.55 0.00 -1.09 -3.41 119.26 112.12 1wic h ALA 24 Ca -0.12 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 1wic h ALA 24 Cb 0.35 0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.01 1wic h ALA 24 CO 0.08 -0.79 -0.56 -0.85 0.00 0.00 0.00 179.25 177.13 1wic n GLU 25 N -2.57 1.04 -3.25 0.00 0.00 -1.26 -4.62 120.64 109.97 1wic n GLU 25 Ca -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 57.16 54.94 1wic n GLU 25 Cb 0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 31.44 30.45 1wic n GLU 25 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1wic s GLU 26 N -0.22 0.46 -0.42 3.44 2.02 -1.15 -4.17 118.70 118.66 1wic s GLU 26 Ca 0.25 0.43 -0.15 0.00 0.02 0.00 0.00 54.97 55.53 1wic s GLU 26 Cb 0.32 -0.08 0.03 0.00 0.10 0.00 0.00 34.13 34.50 1wic s GLU 26 CO -0.06 -0.91 0.31 -0.51 0.02 0.00 0.00 175.26 174.11 1wic s LEU 27 N 2.66 5.16 -0.88 1.80 2.01 0.54 -4.69 118.68 125.28 1wic s LEU 27 Ca 0.12 -1.00 -0.20 0.00 0.01 0.00 0.00 54.13 53.06 1wic s LEU 27 Cb -0.13 -2.15 0.12 0.00 0.01 0.00 0.00 46.19 44.04 1wic s LEU 27 CO -0.25 -0.48 1.11 -0.31 1.01 0.00 0.00 176.35 177.43 1wic s TYR 28 N 1.65 3.01 -0.72 0.29 1.51 -1.26 -0.01 117.35 121.83 1wic s TYR 28 Ca 0.04 -1.22 -0.23 0.00 -1.01 0.00 0.00 57.07 54.65 1wic s TYR 28 Cb -0.20 -4.30 0.06 0.00 -0.11 0.00 0.00 41.96 37.41 1wic s TYR 28 CO 0.09 -1.53 1.08 -0.06 -1.11 0.00 0.00 175.55 174.01 1wic s PHE 29 N 3.03 2.60 0.00 2.71 0.08 -1.26 -4.37 117.98 120.76 1wic s PHE 29 Ca 0.31 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1wic s PHE 29 Cb -0.07 -4.40 0.00 0.00 -0.57 0.00 0.00 43.02 37.98 1wic s PHE 29 CO -0.06 -1.76 0.00 0.41 -0.10 0.00 0.00 175.22 173.71 1wic n GLY 30 N 5.43 -0.51 3.59 4.36 0.00 -1.26 -4.95 105.19 111.85 1wic n GLY 30 Ca 0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1wic n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wic s SER 31 N -0.33 5.46 0.00 1.61 0.01 -1.26 -4.79 113.70 114.40 1wic s SER 31 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wic s SER 31 Cb 0.00 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.29 1wic s SER 31 CO 0.00 0.15 0.00 -0.38 0.41 0.00 0.00 173.24 173.42 1wic n ILE 32 N 3.72 0.00 -0.93 1.44 -0.00 -1.26 -4.78 119.36 117.54 1wic n ILE 32 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 62.75 62.27 1wic n ILE 32 Cb 0.52 0.00 0.14 0.00 -0.00 0.00 0.00 39.64 40.30 1wic n ILE 32 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1wic s GLU 33 N 0.00 1.41 -0.08 0.38 0.41 -1.26 -4.95 118.70 114.60 1wic s GLU 33 Ca 0.00 1.59 0.20 0.00 -0.41 0.00 0.00 54.97 56.35 1wic s GLU 33 Cb 0.00 -1.77 -0.30 0.00 -1.78 0.00 0.00 34.13 30.28 1wic s GLU 33 CO 0.00 -2.35 0.34 0.43 -0.49 0.00 0.00 175.26 173.19 1wic n SER 34 N -3.78 0.13 -4.98 -0.19 7.64 -1.26 -4.84 113.62 106.35 1wic n SER 34 Ca 0.12 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.80 1wic n SER 34 Cb 0.52 1.65 -0.01 0.00 -1.01 0.00 0.00 64.21 65.36 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 -4.77 1.45 -0.41 0.23 0.00 -1.26 -4.73 107.32 97.83 1wic s GLY 35 Ca -0.08 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 43.09 1wic s GLY 35 CO 0.86 -1.23 0.57 1.18 0.00 0.00 0.00 173.10 174.48 1wic n GLU 36 N -1.64 -2.11 -3.22 2.90 1.02 -1.26 -4.89 120.64 111.43 1wic n GLU 36 Ca -0.03 1.75 -0.39 0.00 -0.02 0.00 0.00 57.16 58.47 1wic n GLU 36 Cb 0.58 -3.66 -0.02 0.00 -0.02 0.00 0.00 31.44 28.31 1wic n GLU 36 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wic n LYS 37 N -0.11 3.72 -4.87 3.49 5.02 -1.26 -4.69 118.16 119.46 1wic n LYS 37 Ca 0.01 -4.55 -0.26 0.00 -2.02 0.00 0.00 58.31 51.48 1wic n LYS 37 Cb 0.55 -2.46 -0.15 0.00 -0.02 0.00 0.00 35.03 32.95 1wic n LYS 37 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wic s LYS 38 N -2.32 1.56 0.28 1.97 2.36 -1.26 -4.41 119.74 117.92 1wic s LYS 38 Ca 0.32 -0.82 0.09 0.00 -2.55 0.00 0.00 55.97 53.01 1wic s LYS 38 Cb 0.03 -1.57 -0.04 0.00 -1.05 0.00 0.00 37.83 35.19 1wic s LYS 38 CO 0.02 0.42 0.08 -0.08 1.55 0.00 0.00 175.35 177.35 1wic s THR 39 N -0.60 3.65 -0.09 3.43 -1.32 -1.00 -4.79 115.64 114.93 1wic s THR 39 Ca 0.08 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1wic s THR 39 Cb -0.08 -3.03 0.02 0.00 -1.51 0.00 0.00 72.50 67.90 1wic s THR 39 CO 0.00 -0.33 -0.06 -0.22 -2.21 0.00 0.00 174.62 171.80 1wic s LEU 40 N -3.76 1.15 0.35 9.08 2.96 -1.26 -0.11 118.68 127.09 1wic s LEU 40 Ca 0.33 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1wic s LEU 40 Cb -0.06 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.89 1wic s LEU 40 CO 0.22 -0.10 0.62 -0.63 -1.32 0.00 0.00 176.35 175.14 1wic s ILE 41 N 1.48 5.00 -0.08 6.68 1.01 0.51 -4.68 121.20 131.10 1wic s ILE 41 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.68 1wic s ILE 41 Cb -0.13 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1wic s ILE 41 CO -0.04 -0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 173.61 1wic s VAL 42 N -2.28 1.07 -0.39 2.92 1.01 0.30 -0.87 120.40 122.16 1wic s VAL 42 Ca 0.44 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1wic s VAL 42 Cb -0.10 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.35 1wic s VAL 42 CO 0.34 0.35 0.18 -0.76 0.00 0.00 0.00 175.10 175.22 1wic s LEU 43 N 1.07 5.03 -0.47 3.92 1.43 -0.94 0.12 118.68 128.83 1wic s LEU 43 Ca -0.07 -1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 50.98 1wic s LEU 43 Cb -0.14 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.28 1wic s LEU 43 CO -0.01 -0.50 0.65 -0.89 0.23 0.00 0.00 176.35 175.83 1wic s THR 44 N 1.20 4.82 -0.51 5.49 2.01 -1.15 -1.66 115.64 125.84 1wic s THR 44 Ca 0.05 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.67 1wic s THR 44 Cb -0.22 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.03 1wic s THR 44 CO -0.03 -0.71 1.52 0.21 -0.69 0.00 0.00 174.62 174.92 1wic s ASN 45 N 2.30 6.03 -0.56 3.53 2.47 -0.48 0.24 114.94 128.47 1wic s ASN 45 Ca 0.20 0.54 -0.01 0.00 0.42 0.00 0.00 52.86 54.01 1wic s ASN 45 Cb -0.16 -2.54 0.45 0.00 -1.45 0.00 0.00 41.25 37.55 1wic s ASN 45 CO 0.16 -1.73 1.99 1.33 -3.72 0.00 0.00 177.10 175.13 1wic n VAL 46 N 7.02 3.36 -4.45 -5.21 0.24 -0.77 -2.53 118.33 116.00 1wic n VAL 46 Ca 0.16 -2.47 -0.22 0.00 -2.04 0.00 0.00 64.34 59.77 1wic n VAL 46 Cb 0.49 -1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 31.71 1wic n VAL 46 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wic s THR 47 N -4.03 1.85 -0.36 3.34 -4.23 -1.24 -4.87 115.64 106.09 1wic s THR 47 Ca 0.57 -2.18 0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1wic s THR 47 Cb 0.45 -2.43 0.67 0.00 1.34 0.00 0.00 72.50 72.53 1wic s THR 47 CO 0.01 -0.32 1.72 0.29 -0.54 0.00 0.00 174.62 175.78 1wic n LYS 48 N -0.61 3.33 -3.66 3.99 4.01 -1.26 -3.97 118.16 119.99 1wic n LYS 48 Ca -0.06 -2.76 -0.12 0.00 -0.51 0.00 0.00 58.31 54.87 1wic n LYS 48 Cb 0.63 -2.12 -0.08 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 -0.87 -0.69 0.45 4.39 0.01 -1.26 -4.97 114.94 112.00 1wic s ASN 49 Ca 0.50 1.25 -0.20 0.00 -0.71 0.00 0.00 52.86 53.70 1wic s ASN 49 Cb 0.40 1.23 -0.15 0.00 0.41 0.00 0.00 41.25 43.14 1wic s ASN 49 CO 0.12 -0.22 -0.00 -0.38 -1.51 0.00 0.00 177.10 175.11 1wic n ILE 50 N 3.20 0.36 -3.70 0.60 5.41 -1.26 -4.61 119.36 119.37 1wic n ILE 50 Ca -0.16 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 62.87 1wic n ILE 50 Cb 0.56 -0.01 -0.18 0.00 -0.71 0.00 0.00 39.64 39.31 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 -1.83 0.07 0.05 1.39 1.01 -1.16 -0.77 120.40 119.16 1wic s VAL 51 Ca 0.58 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1wic s VAL 51 Cb -0.57 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1wic s VAL 51 CO 0.64 0.13 0.93 0.00 0.00 0.00 0.00 175.10 176.80 1wic s ALA 52 N 2.09 3.23 0.18 5.51 0.00 -0.60 -1.76 121.76 130.42 1wic s ALA 52 Ca 0.04 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.61 1wic s ALA 52 Cb -0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1wic s ALA 52 CO -0.05 -0.09 -0.21 -0.59 0.00 0.00 0.00 175.76 174.82 1wic s PHE 53 N 0.39 2.05 0.02 0.00 -0.12 0.40 -1.08 117.98 119.64 1wic s PHE 53 Ca 0.47 -0.41 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1wic s PHE 53 Cb -0.22 -1.01 -0.02 0.00 -0.63 0.00 0.00 43.02 41.14 1wic s PHE 53 CO 0.28 0.42 -0.03 0.15 -0.05 0.00 0.00 175.22 175.99 1wic s LYS 54 N -2.76 0.28 -0.33 1.99 1.02 -0.45 -1.09 119.74 118.38 1wic s LYS 54 Ca 0.18 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 1wic s LYS 54 Cb -0.07 0.00 0.07 0.00 -0.52 0.00 0.00 37.83 37.31 1wic s LYS 54 CO 0.08 -0.02 0.07 0.08 -0.92 0.00 0.00 175.35 174.64 1wic s VAL 55 N -1.05 3.14 0.19 3.17 1.01 0.23 0.18 120.40 127.27 1wic s VAL 55 Ca -0.11 -1.56 0.07 0.00 0.00 0.00 0.00 61.98 60.39 1wic s VAL 55 Cb -0.07 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1wic s VAL 55 CO -0.01 -0.28 0.03 -0.60 0.00 0.00 0.00 175.10 174.24 1wic s ARG 56 N 1.23 2.49 0.27 2.72 3.00 0.96 -4.87 118.95 124.75 1wic s ARG 56 Ca -0.01 -1.12 -0.20 0.00 -1.00 0.00 0.00 55.73 53.41 1wic s ARG 56 Cb -0.20 -2.38 0.02 0.00 0.00 0.00 0.00 34.95 32.38 1wic s ARG 56 CO -0.02 0.44 0.67 -0.08 0.00 0.00 0.00 175.30 176.32 1wic s THR 57 N -1.85 0.00 -0.62 4.11 -1.32 -1.26 0.20 115.64 114.90 1wic s THR 57 Ca 0.29 -1.05 0.05 0.00 -1.21 0.00 0.00 61.69 59.77 1wic s THR 57 Cb -0.09 -2.01 0.31 0.00 -1.51 0.00 0.00 72.50 69.20 1wic s THR 57 CO 0.20 -0.00 1.05 0.35 -2.21 0.00 0.00 174.62 174.00 1wic n THR 58 N -0.44 1.20 -2.71 5.08 -2.24 -1.23 -4.25 114.28 109.68 1wic n THR 58 Ca -0.04 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 1wic n THR 58 Cb 0.60 -0.48 0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.18 -2.67 1.10 6.98 0.00 -1.26 -4.99 120.51 119.86 1wic n ALA 59 Ca 0.13 -0.66 0.11 0.00 0.00 0.00 0.00 53.44 53.02 1wic n ALA 59 Cb 0.67 -2.34 0.58 0.00 0.00 0.00 0.00 19.45 18.37 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 2.20 0.35 -1.42 0.00 -0.04 -1.26 -2.65 135.00 132.18 1wic n PRO 60 Ca 0.10 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1wic n PRO 60 Cb 0.63 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.26 2.76 0.00 0.54 0.28 -1.26 -4.63 120.64 117.06 1wic n GLU 61 Ca 0.11 -3.76 0.00 0.00 -0.16 0.00 0.00 57.16 53.35 1wic n GLU 61 Cb 0.17 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 31.01 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 -0.89 0.00 -3.88 3.44 5.02 -1.10 -5.05 118.16 115.70 1wic n LYS 62 Ca 0.36 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.30 1wic n LYS 62 Cb 0.87 -0.19 -0.08 0.00 -0.02 0.00 0.00 35.03 35.62 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 -1.48 3.42 -0.61 2.13 2.02 -1.09 -0.07 117.35 121.68 1wic s TYR 63 Ca 0.00 0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.82 1wic s TYR 63 Cb 0.00 -2.04 0.07 0.00 -0.40 0.00 0.00 41.96 39.59 1wic s TYR 63 CO 0.00 0.43 0.87 0.50 -1.57 0.00 0.00 175.55 175.77 1wic s ARG 64 N -0.19 3.14 -0.27 -0.62 3.52 0.35 -4.82 118.95 120.07 1wic s ARG 64 Ca 0.10 -0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 1wic s ARG 64 Cb -0.12 -4.19 0.02 0.00 -1.56 0.00 0.00 34.95 29.10 1wic s ARG 64 CO 0.01 -1.63 0.00 0.14 -0.81 0.00 0.00 175.30 173.00 1wic s VAL 65 N 3.61 3.37 -0.16 7.11 -7.23 -1.26 -0.94 120.40 124.90 1wic s VAL 65 Ca 0.21 -0.86 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 1wic s VAL 65 Cb -0.18 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.11 1wic s VAL 65 CO 0.11 0.16 0.35 -0.75 -0.31 0.00 0.00 175.10 174.66 1wic s LYS 66 N 1.41 0.29 0.65 4.82 2.36 -0.91 -3.38 119.74 124.98 1wic s LYS 66 Ca 0.01 0.80 -0.13 0.00 -2.55 0.00 0.00 55.97 54.10 1wic s LYS 66 Cb -0.17 0.04 -0.01 0.00 -1.05 0.00 0.00 37.83 36.64 1wic s LYS 66 CO -0.01 -0.21 1.05 -1.25 1.55 0.00 0.00 175.35 176.48 1wic s PRO 67 N 1.87 3.13 -0.00 4.03 0.04 -1.25 -1.41 135.00 141.41 1wic s PRO 67 Ca -0.06 1.04 0.08 0.00 0.04 0.00 0.00 61.00 62.10 1wic s PRO 67 Cb -0.10 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1wic s PRO 67 CO -0.11 -0.95 0.31 -1.13 0.04 0.00 0.00 177.00 175.16 1wic n SER 68 N -2.66 0.60 -3.05 6.66 3.41 -1.22 -4.72 113.62 112.64 1wic n SER 68 Ca 0.08 -0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 1wic n SER 68 Cb 0.53 1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 65.50 1wic n SER 68 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1wic s ASN 69 N -1.82 -1.01 0.00 4.04 2.47 -1.26 0.74 114.94 118.10 1wic s ASN 69 Ca 0.02 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.89 1wic s ASN 69 Cb 0.06 1.63 0.00 0.00 -1.45 0.00 0.00 41.25 41.49 1wic s ASN 69 CO 0.31 -0.13 0.00 -0.24 -3.72 0.00 0.00 177.10 173.32 1wic n SER 70 N 3.68 0.00 -4.20 -4.21 2.88 -0.25 -4.99 113.62 106.53 1wic n SER 70 Ca 0.15 -0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.19 1wic n SER 70 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 1wic n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wic s SER 71 N 0.33 0.59 -0.06 -3.46 0.15 -1.26 0.15 113.70 110.13 1wic s SER 71 Ca 0.00 -1.41 -0.03 0.00 0.70 0.00 0.00 55.95 55.22 1wic s SER 71 Cb 0.00 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1wic s SER 71 CO 0.00 -0.82 0.08 0.00 1.20 0.00 0.00 173.24 173.70 1wic n ASP 73 N 5.30 -1.78 -4.74 0.00 9.92 -1.26 -3.01 116.55 120.98 1wic n ASP 73 Ca -0.04 0.12 -0.41 0.00 -0.53 0.00 0.00 54.79 53.93 1wic n ASP 73 Cb 0.50 -1.17 -0.04 0.00 -0.64 0.00 0.00 41.12 39.76 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 -3.84 4.60 -0.42 -0.24 0.04 -1.26 -3.05 135.00 130.84 1wic s PRO 74 Ca 0.60 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1wic s PRO 74 Cb -0.19 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wic s PRO 74 CO 0.65 0.10 0.00 0.41 0.04 0.00 0.00 177.00 178.20 1wic n GLY 75 N 1.85 0.52 3.02 0.56 0.00 -1.05 -5.01 105.19 105.08 1wic n GLY 75 Ca 0.02 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 0.27 0.65 -3.09 4.61 0.00 -1.17 -5.02 120.51 116.77 1wic n ALA 76 Ca -0.04 -1.84 -0.12 0.00 0.00 0.00 0.00 53.44 51.44 1wic n ALA 76 Cb 0.28 1.45 -0.11 0.00 0.00 0.00 0.00 19.45 21.07 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 -3.20 -0.12 0.34 0.00 1.04 -1.26 -1.39 113.70 109.12 1wic s SER 77 Ca 0.35 0.16 0.07 0.00 0.48 0.00 0.00 55.95 57.01 1wic s SER 77 Cb 0.02 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1wic s SER 77 CO 0.25 -0.19 0.33 -0.51 0.98 0.00 0.00 173.24 174.10 1wic s ILE 78 N -0.48 3.54 -0.17 -1.02 2.07 -0.66 -4.90 121.20 119.57 1wic s ILE 78 Ca -0.06 -1.30 0.00 0.00 -1.41 0.00 0.00 60.65 57.88 1wic s ILE 78 Cb -0.04 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.35 1wic s ILE 78 CO 0.01 -0.15 -0.15 1.51 -1.91 0.00 0.00 174.94 174.24 1wic s ASP 79 N -4.04 3.59 -0.29 4.50 -4.77 -1.26 -2.22 116.67 112.17 1wic s ASP 79 Ca 0.42 -0.51 0.03 0.00 -3.30 0.00 0.00 52.55 49.20 1wic s ASP 79 Cb -0.06 -1.56 0.07 0.00 -1.09 0.00 0.00 42.92 40.28 1wic s ASP 79 CO 0.27 0.05 -0.05 -0.63 0.70 0.00 0.00 175.17 175.52 1wic s ILE 80 N 1.01 2.15 0.37 2.11 -1.09 -0.05 -3.92 121.20 121.79 1wic s ILE 80 Ca -0.02 -1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 56.33 1wic s ILE 80 Cb -0.15 -2.39 -0.10 0.00 -1.58 0.00 0.00 42.46 38.24 1wic s ILE 80 CO -0.04 -0.25 0.89 -0.63 -1.23 0.00 0.00 174.94 173.69 1wic s ILE 81 N 1.05 4.42 -0.31 2.92 1.09 -0.50 0.19 121.20 130.07 1wic s ILE 81 Ca -0.01 1.43 -0.03 0.00 -1.10 0.00 0.00 60.65 60.94 1wic s ILE 81 Cb -0.20 -3.70 0.11 0.00 -1.06 0.00 0.00 42.46 37.62 1wic s ILE 81 CO -0.06 -0.17 0.16 -0.69 -0.10 0.00 0.00 174.94 174.07 1wic s VAL 82 N -1.99 -0.01 -0.22 2.92 1.01 0.84 -2.14 120.40 120.81 1wic s VAL 82 Ca 0.57 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1wic s VAL 82 Cb -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1wic s VAL 82 CO 0.16 -0.80 -0.09 -0.94 0.00 0.00 0.00 175.10 173.43 1wic s SER 83 N 1.79 4.00 0.57 3.32 1.04 -0.11 -2.37 113.70 121.94 1wic s SER 83 Ca 0.12 -0.59 -0.16 0.00 0.48 0.00 0.00 55.95 55.80 1wic s SER 83 Cb -0.18 -1.65 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 1wic s SER 83 CO -0.25 -0.04 1.05 -2.16 0.98 0.00 0.00 173.24 172.81 1wic s PRO 84 N 1.39 3.46 -0.36 4.02 0.04 -1.26 0.13 135.00 142.43 1wic s PRO 84 Ca 0.04 1.20 -0.32 0.00 0.04 0.00 0.00 61.00 61.96 1wic s PRO 84 Cb -0.15 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1wic s PRO 84 CO -0.06 -0.69 2.25 1.58 0.04 0.00 0.00 177.00 180.12 1wic n HIS 85 N -1.82 1.64 -0.44 0.56 -0.00 0.90 -4.76 115.22 111.30 1wic n HIS 85 Ca 0.09 0.14 0.38 0.00 0.46 0.00 0.00 57.72 58.79 1wic n HIS 85 Cb 0.53 -2.60 0.65 0.00 -0.12 0.00 0.00 29.99 28.45 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 6.26 -0.80 0.19 1.57 0.00 -1.26 0.19 105.19 111.33 1wic n GLY 86 Ca 0.39 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 47.08 1wic n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wic h GLY 87 N 0.00 0.62 -0.08 -0.02 0.00 -1.98 -3.44 103.07 98.17 1wic h GLY 87 Ca 0.85 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.92 1wic h GLY 87 CO -0.50 0.21 -0.02 1.47 0.00 0.00 0.00 176.54 177.70 1wic n LEU 88 N -4.80 0.00 -4.27 3.11 -0.00 0.49 -5.16 117.00 106.37 1wic n LEU 88 Ca 0.02 -0.20 -0.15 0.00 -0.00 0.00 0.00 56.01 55.67 1wic n LEU 88 Cb 0.04 -0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.35 1wic n LEU 88 CO 0.34 -0.34 -0.23 0.28 -0.00 0.00 0.00 177.39 177.44 1wic s THR 89 N 0.06 0.24 -1.78 1.47 -1.32 -1.26 -4.51 115.64 108.54 1wic s THR 89 Ca 0.03 -2.00 0.25 0.00 -1.21 0.00 0.00 61.69 58.76 1wic s THR 89 Cb -0.00 -2.54 0.62 0.00 -1.51 0.00 0.00 72.50 69.06 1wic s THR 89 CO 0.02 0.00 1.87 1.33 -2.21 0.00 0.00 174.62 175.62 1wic n VAL 90 N -0.42 0.08 0.00 5.08 0.24 -1.26 -4.88 118.33 117.17 1wic n VAL 90 Ca 0.02 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1wic n VAL 90 Cb 0.66 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.11 0.00 0.00 -1.34 7.64 -1.26 -3.52 113.62 114.03 1wic n SER 91 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1wic n SER 91 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 5.26 0.00 0.20 -0.43 0.00 -1.26 -4.94 120.51 119.33 1wic n ALA 92 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1wic n ALA 92 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.87 1wic n ALA 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1wic h GLN 93 N 0.00 0.00 -6.07 0.00 3.07 -2.00 -3.44 115.11 106.67 1wic h GLN 93 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.11 1wic h GLN 93 Cb 0.00 0.00 0.14 0.00 0.08 0.00 0.00 27.48 27.70 1wic h GLN 93 CO 0.00 0.33 -0.73 -0.40 0.09 0.00 0.00 178.83 178.12 1wic n ASP 94 N -3.89 -2.05 -3.92 0.06 5.75 -1.23 -4.98 116.55 106.30 1wic n ASP 94 Ca -0.02 0.91 -0.11 0.00 -0.01 0.00 0.00 54.79 55.57 1wic n ASP 94 Cb 0.40 -0.95 -0.12 0.00 -1.03 0.00 0.00 41.12 39.42 1wic n ASP 94 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wic s ARG 95 N -1.12 0.17 0.19 0.11 1.81 -1.26 -4.56 118.95 114.29 1wic s ARG 95 Ca 0.61 -0.28 0.11 0.00 -1.72 0.00 0.00 55.73 54.45 1wic s ARG 95 Cb -0.70 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.82 1wic s ARG 95 CO 0.60 -0.03 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.90 1wic s PHE 96 N -0.72 2.32 0.04 -0.53 0.08 -0.22 -3.52 117.98 115.43 1wic s PHE 96 Ca -0.08 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1wic s PHE 96 Cb -0.05 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1wic s PHE 96 CO -0.00 0.50 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.34 1wic s LEU 97 N -2.68 2.22 -0.04 -0.37 2.96 0.52 0.16 118.68 121.46 1wic s LEU 97 Ca 0.21 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1wic s LEU 97 Cb -0.08 -0.35 0.03 0.00 0.50 0.00 0.00 46.19 46.29 1wic s LEU 97 CO 0.10 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.43 1wic s ILE 98 N -1.11 0.09 0.17 6.68 1.01 0.25 -0.03 121.20 128.26 1wic s ILE 98 Ca -0.04 0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1wic s ILE 98 Cb -0.09 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1wic s ILE 98 CO 0.01 0.19 0.32 -0.04 0.00 0.00 0.00 174.94 175.41 1wic s MET 99 N 1.76 3.46 -0.29 2.79 -1.94 0.48 -0.33 119.30 125.24 1wic s MET 99 Ca 0.00 -0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 53.39 1wic s MET 99 Cb -0.12 -2.93 0.15 0.00 2.01 0.00 0.00 34.83 33.93 1wic s MET 99 CO -0.03 0.48 0.62 0.00 -0.01 0.00 0.00 175.02 176.08 1wic s ALA 100 N -1.79 -2.06 -0.04 3.03 0.00 0.11 -1.35 121.76 119.67 1wic s ALA 100 Ca 0.36 2.13 0.02 0.00 0.00 0.00 0.00 51.96 54.47 1wic s ALA 100 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.14 1wic s ALA 100 CO 0.29 -1.06 -0.10 0.00 0.00 0.00 0.00 175.76 174.89 1wic s ALA 101 N 2.87 1.04 -0.09 0.00 0.00 -0.24 0.22 121.76 125.56 1wic s ALA 101 Ca 0.03 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1wic s ALA 101 Cb -0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1wic s ALA 101 CO -0.19 0.13 1.51 -2.00 0.00 0.00 0.00 175.76 175.21 1wic s GLU 102 N 0.41 4.20 0.68 0.00 2.12 -1.26 -1.55 118.70 123.30 1wic s GLU 102 Ca -0.08 2.01 -0.03 0.00 0.36 0.00 0.00 54.97 57.22 1wic s GLU 102 Cb -0.12 -3.89 0.08 0.00 0.26 0.00 0.00 34.13 30.47 1wic s GLU 102 CO 0.02 -0.78 0.96 -1.64 -0.54 0.00 0.00 175.26 173.27 1wic s MET 103 N 3.75 2.05 0.00 4.30 -1.94 0.05 -4.95 119.30 122.56 1wic s MET 103 Ca 0.67 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.99 1wic s MET 103 Cb -0.29 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.26 1wic s MET 103 CO 0.25 -1.22 0.00 -0.85 -0.01 0.00 0.00 175.02 173.19 1wic n GLU 104 N -2.78 -0.71 -0.14 2.03 0.28 -1.26 -4.56 120.64 113.50 1wic n GLU 104 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.99 1wic n GLU 104 Cb 0.60 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.45 1wic n GLU 104 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1wic h GLN 105 N 0.00 0.81 -5.10 3.44 3.07 -1.98 -3.40 115.11 111.95 1wic h GLN 105 Ca 0.00 -0.33 -0.65 0.00 0.09 0.00 0.00 58.65 57.76 1wic h GLN 105 Cb 0.00 -0.03 -0.16 0.00 0.08 0.00 0.00 27.48 27.37 1wic h GLN 105 CO 0.00 0.96 -0.18 -1.12 0.09 0.00 0.00 178.83 178.58 1wic s SER 106 N -6.48 6.25 -0.22 0.06 0.01 -1.26 -4.89 113.70 107.17 1wic s SER 106 Ca -0.12 -0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 1wic s SER 106 Cb 0.10 -2.23 0.07 0.00 0.21 0.00 0.00 66.02 64.18 1wic s SER 106 CO 0.83 -0.38 0.07 -0.44 0.41 0.00 0.00 173.24 173.73 1wic s SER 107 N 1.73 3.03 0.00 2.44 0.01 -1.26 -4.98 113.70 114.67 1wic s SER 107 Ca 0.15 -0.96 0.18 0.00 1.31 0.00 0.00 55.95 56.63 1wic s SER 107 Cb -0.16 -0.50 0.79 0.00 0.21 0.00 0.00 66.02 66.35 1wic s SER 107 CO 0.12 -0.35 1.56 0.61 0.41 0.00 0.00 173.24 175.59 1wic n GLY 108 N 5.11 -1.06 4.28 3.44 0.00 -1.26 -4.88 105.19 110.83 1wic n GLY 108 Ca -0.07 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.45 -1.19 -3.92 2.61 -2.24 -1.26 -4.92 114.28 101.90 1wic n THR 109 Ca 0.05 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.30 1wic n THR 109 Cb 0.19 -1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.52 3.86 0.23 3.38 0.00 -1.26 -4.94 105.19 103.94 1wic n GLY 110 Ca -0.30 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.96 -2.72 132.00 129.06 1wic h PRO 111 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1wic h PRO 111 Cb 0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1wic h PRO 111 CO 0.05 0.08 -0.04 0.00 -0.23 0.00 0.00 178.00 177.87 1wic n ALA 112 N -2.13 0.04 -0.32 -0.56 0.00 -1.26 -3.11 120.51 113.16 1wic n ALA 112 Ca 0.02 -0.17 0.15 0.00 0.00 0.00 0.00 53.44 53.43 1wic n ALA 112 Cb 0.45 0.00 0.29 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 -2.45 -0.07 0.43 0.00 -0.58 -1.26 0.17 120.64 116.88 1wic n GLU 113 Ca -0.01 1.38 -0.17 0.00 -0.42 0.00 0.00 57.16 57.94 1wic n GLU 113 Cb 0.02 -2.20 -0.08 0.00 -0.57 0.00 0.00 31.44 28.61 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 -0.94 -1.99 -4.62 3.38 -1.69 1.02 115.31 110.47 1wic h LEU 114 Ca 0.57 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.71 1wic h LEU 114 Cb 1.20 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1wic h LEU 114 CO -0.86 -0.60 0.45 0.28 0.09 0.00 0.00 178.44 177.79 1wic h SER 115 N -1.24 0.00 0.52 -0.43 0.02 -0.28 1.94 113.55 114.08 1wic h SER 115 Ca -0.11 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.54 1wic h SER 115 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1wic h SER 115 CO 0.19 0.00 -1.43 -0.61 -1.14 0.00 0.00 176.83 173.84 1wic h GLN 116 N 0.00 0.24 0.00 3.45 4.15 0.23 -1.57 115.11 121.61 1wic h GLN 116 Ca 0.23 -0.42 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1wic h GLN 116 Cb 1.12 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 1wic h GLN 116 CO -0.00 1.13 -0.58 0.35 -1.93 0.00 0.00 178.83 177.79 1wic h PHE 117 N 0.07 0.00 0.00 3.99 3.57 0.54 -1.97 116.94 123.13 1wic h PHE 117 Ca -0.20 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.11 1wic h PHE 117 Cb 2.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.70 1wic h PHE 117 CO 0.06 0.29 -1.30 -1.49 -2.23 0.00 0.00 178.31 173.64 1wic h TRP 118 N 0.00 0.00 0.00 0.41 4.06 0.27 0.47 115.95 121.16 1wic h TRP 118 Ca -0.03 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.86 1wic h TRP 118 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.40 1wic h TRP 118 CO 0.00 0.71 -0.52 1.57 -3.56 0.00 0.00 178.44 176.64 1wic h LYS 119 N 0.00 0.00 0.05 0.49 5.09 -1.30 -3.34 116.57 117.56 1wic h LYS 119 Ca -0.15 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.22 1wic h LYS 119 Cb 1.67 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.96 1wic h LYS 119 CO 0.07 0.21 -2.09 0.39 -2.09 0.00 0.00 179.45 175.93 1wic n GLU 120 N -3.04 0.68 -2.15 0.07 1.02 -0.74 -4.88 120.64 111.59 1wic n GLU 120 Ca 0.01 0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 57.01 1wic n GLU 120 Cb 0.64 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 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 3.69 0.35 2.62 0.11 0.15 -5.00 120.40 119.81 1wic s VAL 121 Ca -0.29 0.98 -0.06 0.00 -2.93 0.00 0.00 61.98 59.68 1wic s VAL 121 Cb 0.08 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.39 1wic s VAL 121 CO 0.66 -0.04 0.38 -0.81 -3.33 0.00 0.00 175.10 171.95 1wic n PRO 122 N 6.17 -1.04 -0.02 1.54 -0.04 -1.26 -4.77 135.00 135.58 1wic n PRO 122 Ca 0.15 -0.60 0.13 0.00 -0.04 0.00 0.00 63.50 63.14 1wic n PRO 122 Cb 0.43 -0.47 0.37 0.00 -0.04 0.00 0.00 33.50 33.79 1wic n PRO 122 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wic n ARG 123 N -2.22 1.90 -0.00 0.54 -4.01 -1.26 -2.88 116.66 108.73 1wic n ARG 123 Ca 0.05 -1.32 0.09 0.00 -1.04 0.00 0.00 57.85 55.63 1wic n ARG 123 Cb 0.18 -1.47 -0.12 0.00 -3.04 0.00 0.00 32.46 28.02 1wic n ARG 123 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1wic n ASN 124 N 0.59 0.78 -0.08 2.89 2.85 -1.26 -4.32 115.26 116.70 1wic n ASN 124 Ca 0.17 -0.61 -0.07 0.00 -0.11 0.00 0.00 54.58 53.97 1wic n ASN 124 Cb 0.43 1.32 -0.14 0.00 1.24 0.00 0.00 39.78 42.63 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wic n LYS 125 N -1.70 1.08 -3.42 1.20 4.76 -1.24 -4.94 118.16 113.91 1wic n LYS 125 Ca 0.01 -0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 55.04 1wic n LYS 125 Cb 0.37 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 1wic n LYS 125 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wic s VAL 126 N -2.51 5.00 0.09 -0.18 0.11 -1.14 -4.58 120.40 117.19 1wic s VAL 126 Ca -0.08 0.94 -0.24 0.00 -2.93 0.00 0.00 61.98 59.66 1wic s VAL 126 Cb 0.06 -3.77 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 1wic s VAL 126 CO 0.73 0.52 0.73 -0.32 -3.33 0.00 0.00 175.10 173.43 1wic s MET 127 N -0.74 4.47 -0.11 1.54 1.75 0.58 -4.81 119.30 121.98 1wic s MET 127 Ca 0.25 1.03 0.03 0.00 -1.25 0.00 0.00 55.69 55.75 1wic s MET 127 Cb -0.17 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.19 1wic s MET 127 CO 0.14 0.43 -0.22 -1.21 -0.65 0.00 0.00 175.02 173.51 1wic s GLU 128 N -0.57 3.08 -0.08 4.11 2.02 -1.26 0.07 118.70 126.06 1wic s GLU 128 Ca 0.36 -0.85 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 1wic s GLU 128 Cb -0.21 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.67 1wic s GLU 128 CO 0.23 0.13 -0.06 -1.58 0.02 0.00 0.00 175.26 174.01 1wic s HIS 129 N 0.47 1.13 -0.06 1.61 2.46 0.56 -4.96 115.29 116.50 1wic s HIS 129 Ca -0.15 -0.46 -0.15 0.00 0.47 0.00 0.00 55.06 54.77 1wic s HIS 129 Cb -0.17 -1.00 -0.05 0.00 -0.13 0.00 0.00 32.58 31.23 1wic s HIS 129 CO 0.06 -0.38 0.39 1.03 -2.47 0.00 0.00 174.74 173.37 1wic s ARG 130 N 1.50 4.04 0.24 2.88 0.52 -1.26 0.85 118.95 127.72 1wic s ARG 130 Ca -0.00 0.34 0.09 0.00 -0.52 0.00 0.00 55.73 55.63 1wic s ARG 130 Cb -0.13 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1wic s ARG 130 CO -0.04 0.51 0.02 -0.51 0.02 0.00 0.00 175.30 175.30 1wic s LEU 131 N -0.47 3.30 0.04 2.53 1.43 0.43 -4.77 118.68 121.17 1wic s LEU 131 Ca 0.22 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1wic s LEU 131 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1wic s LEU 131 CO 0.11 0.02 -0.00 0.00 0.23 0.00 0.00 176.35 176.70 1wic s ARG 132 N -3.52 0.52 0.55 1.70 1.70 -1.26 -1.06 118.95 117.59 1wic s ARG 132 Ca 0.31 -0.95 -0.12 0.00 -0.47 0.00 0.00 55.73 54.50 1wic s ARG 132 Cb -0.07 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1wic s ARG 132 CO 0.20 -0.10 0.96 0.00 -1.08 0.00 0.00 175.30 175.28 1wic n HIS 134 N -2.18 3.55 -0.48 0.00 -0.00 0.99 -4.50 115.22 112.61 1wic n HIS 134 Ca 0.05 -3.54 -0.29 0.00 0.46 0.00 0.00 57.72 54.40 1wic n HIS 134 Cb 0.54 -0.74 0.24 0.00 -0.12 0.00 0.00 29.99 29.91 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 0.03 0.00 -2.70 3.57 -2.24 -1.26 -4.83 114.28 106.84 1wic n THR 135 Ca 0.35 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1wic n THR 135 Cb 0.35 -0.87 0.11 0.00 -2.10 0.00 0.00 70.33 67.82 1wic n THR 135 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1wic n VAL 136 N -5.00 0.11 -2.83 2.28 3.14 -1.26 -5.03 118.33 109.75 1wic n VAL 136 Ca 0.03 -1.70 -0.03 0.00 -2.96 0.00 0.00 64.34 59.68 1wic n VAL 136 Cb 0.56 0.98 0.01 0.00 -1.06 0.00 0.00 33.84 34.33 1wic n VAL 136 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wic s GLU 137 N -0.19 0.96 0.28 1.45 -6.30 -1.26 -4.89 118.70 108.74 1wic s GLU 137 Ca 0.23 -0.86 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 1wic s GLU 137 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 34.13 34.51 1wic s GLU 137 CO -0.07 -1.21 0.00 0.45 0.02 0.00 0.00 175.26 174.45 1wic n SER 138 N 3.16 -0.44 0.04 -1.70 2.88 -1.26 -5.04 113.62 111.26 1wic n SER 138 Ca 0.16 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1wic n SER 138 Cb 0.57 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.32 -3.64 -3.46 2.88 -1.26 -4.97 113.62 100.10 1wic n SER 139 Ca 0.00 0.13 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1wic n SER 139 Cb 0.00 -0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.38 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 -2.00 0.13 -0.06 -1.46 2.20 -1.26 -5.02 119.74 112.27 1wic s LYS 140 Ca 0.00 0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.53 1wic s LYS 140 Cb 0.00 0.06 -0.09 0.00 -1.51 0.00 0.00 37.83 36.29 1wic s LYS 140 CO 0.00 -0.04 0.52 -1.00 -0.36 0.00 0.00 175.35 174.47 1wic h PRO 141 N 2.37 -0.27 -4.27 4.03 0.13 -1.88 -3.49 132.00 128.63 1wic h PRO 141 Ca -0.13 0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.84 1wic h PRO 141 Cb 1.19 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 1wic h PRO 141 CO 0.22 -0.03 -0.47 1.21 -0.23 0.00 0.00 178.00 178.70 1wic s ASN 142 N -5.32 0.10 -0.27 1.44 3.84 -1.26 -4.90 114.94 108.57 1wic s ASN 142 Ca -0.08 -1.20 -0.23 0.00 0.21 0.00 0.00 52.86 51.56 1wic s ASN 142 Cb 0.00 0.43 0.07 0.00 -0.55 0.00 0.00 41.25 41.20 1wic s ASN 142 CO 0.26 -0.90 0.71 -0.55 -2.79 0.00 0.00 177.10 173.83 1wic s SER 143 N -3.09 -0.79 -0.97 -4.21 0.15 -1.26 -4.92 113.70 98.60 1wic s SER 143 Ca 0.31 1.46 -0.20 0.00 0.70 0.00 0.00 55.95 58.22 1wic s SER 143 Cb 0.05 1.45 -0.10 0.00 -1.71 0.00 0.00 66.02 65.71 1wic s SER 143 CO 0.09 -0.25 1.98 0.18 1.20 0.00 0.00 173.24 176.44 1wic n LEU 144 N 3.01 4.57 -4.26 3.45 7.99 -1.26 -4.81 117.00 125.68 1wic n LEU 144 Ca -0.15 -3.21 -0.15 0.00 -0.01 0.00 0.00 56.01 52.49 1wic n LEU 144 Cb 0.56 -1.31 -0.10 0.00 -0.11 0.00 0.00 43.42 42.46 1wic n LEU 144 CO 0.02 -0.20 -0.23 0.00 -1.51 0.00 0.00 177.39 175.47 1wic s MET 145 N 4.76 1.36 0.22 3.23 0.23 -1.26 -5.11 119.30 122.73 1wic s MET 145 Ca 0.56 -1.74 -0.31 0.00 -1.03 0.00 0.00 55.69 53.18 1wic s MET 145 Cb 0.12 0.06 -0.15 0.00 -1.53 0.00 0.00 34.83 33.34 1wic s MET 145 CO 0.08 -0.39 1.06 1.28 -2.03 0.00 0.00 175.02 175.01 1wic n LEU 146 N -0.40 1.41 -3.63 0.18 4.32 -1.26 -4.94 117.00 112.69 1wic n LEU 146 Ca 0.02 1.16 -0.02 0.00 -0.02 0.00 0.00 56.01 57.15 1wic n LEU 146 Cb 0.66 -1.22 -0.02 0.00 -1.62 0.00 0.00 43.42 41.22 1wic n LEU 146 CO 0.34 -1.47 1.17 -0.55 -1.22 0.00 0.00 177.39 175.66 1wic s SER 147 N -0.29 -0.03 -0.20 -1.43 0.15 -1.26 -5.13 113.70 105.52 1wic s SER 147 Ca 0.67 -0.00 -0.30 0.00 0.70 0.00 0.00 55.95 57.01 1wic s SER 147 Cb -0.80 0.03 0.15 0.00 -1.71 0.00 0.00 66.02 63.69 1wic s SER 147 CO 0.55 -0.05 1.12 -0.83 1.20 0.00 0.00 173.24 175.24 1wic s GLY 148 N -2.18 -0.16 0.88 9.45 0.00 -1.26 -5.18 107.32 108.86 1wic s GLY 148 Ca 0.12 2.21 -0.15 0.00 0.00 0.00 0.00 44.72 46.90 1wic s GLY 148 CO -0.03 0.99 0.97 -1.55 0.00 0.00 0.00 173.10 173.48 1wic n PRO 149 N 0.56 -1.86 -4.13 2.90 -0.04 -1.26 -5.10 135.00 126.08 1wic n PRO 149 Ca -0.06 -1.52 -0.11 0.00 -0.04 0.00 0.00 63.50 61.77 1wic n PRO 149 Cb 0.58 -1.20 -0.11 0.00 -0.04 0.00 0.00 33.50 32.74 1wic n PRO 149 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wic s SER 150 N -4.38 1.03 -0.21 3.54 1.04 -1.26 -5.16 113.70 108.31 1wic s SER 150 Ca 0.58 -0.84 -0.36 0.00 0.48 0.00 0.00 55.95 55.81 1wic s SER 150 Cb -0.04 0.07 0.15 0.00 0.10 0.00 0.00 66.02 66.31 1wic s SER 150 CO 0.43 -0.37 1.32 -0.94 0.98 0.00 0.00 173.24 174.65 1wic s SER 151 N -2.51 -0.06 0.00 7.02 1.04 -1.26 -5.39 113.70 112.55 1wic s SER 151 Ca 0.04 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1wic s SER 151 Cb -0.00 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1wic s SER 151 CO -0.03 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.68