#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 0.89 -0.30 1.61 0.15 -1.26 -5.11 113.70 109.68 1wic s SER 2 Ca 0.00 0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 1wic s SER 2 Cb 0.00 0.67 0.20 0.00 -1.71 0.00 0.00 66.02 65.18 1wic s SER 2 CO 0.00 -0.31 1.28 -0.55 1.20 0.00 0.00 173.24 174.86 1wic s SER 3 N 2.41 -0.07 0.14 5.45 0.15 -1.26 -5.18 113.70 115.33 1wic s SER 3 Ca 0.08 0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.68 1wic s SER 3 Cb -0.15 1.08 0.03 0.00 -1.71 0.00 0.00 66.02 65.27 1wic s SER 3 CO -0.13 -0.01 0.41 -0.83 1.20 0.00 0.00 173.24 173.88 1wic s GLY 4 N 1.91 -0.21 0.69 9.45 0.00 -1.26 -5.17 107.32 112.73 1wic s GLY 4 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 1wic s GLY 4 CO -0.15 -0.33 1.03 -0.56 0.00 0.00 0.00 173.10 173.09 1wic s SER 5 N -2.82 5.10 0.33 1.64 0.01 -1.26 -5.10 113.70 111.60 1wic s SER 5 Ca 0.04 0.73 0.05 0.00 1.31 0.00 0.00 55.95 58.08 1wic s SER 5 Cb 0.02 -1.47 -0.06 0.00 0.21 0.00 0.00 66.02 64.71 1wic s SER 5 CO -0.10 -1.45 0.04 -0.94 0.41 0.00 0.00 173.24 171.19 1wic s SER 6 N -4.44 2.59 0.00 2.44 1.04 -1.26 -5.13 113.70 108.94 1wic s SER 6 Ca 0.58 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1wic s SER 6 Cb -0.11 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1wic s SER 6 CO 0.47 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1wic n GLY 7 N -0.70 3.96 3.03 7.32 0.00 -1.26 -5.15 105.19 112.40 1wic n GLY 7 Ca -0.03 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 1wic n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wic s LYS 8 N -4.67 0.45 0.81 1.61 3.01 -1.26 -5.15 119.74 114.54 1wic s LYS 8 Ca 0.00 -0.69 -0.11 0.00 -1.01 0.00 0.00 55.97 54.17 1wic s LYS 8 Cb 0.00 -0.18 0.08 0.00 -1.01 0.00 0.00 37.83 36.72 1wic s LYS 8 CO 0.00 0.02 1.09 0.15 0.51 0.00 0.00 175.35 177.13 1wic s LYS 9 N -1.47 1.95 0.67 1.68 1.02 -1.26 -5.01 119.74 117.32 1wic s LYS 9 Ca -0.11 1.08 -0.12 0.00 0.02 0.00 0.00 55.97 56.84 1wic s LYS 9 Cb -0.10 -1.87 -0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1wic s LYS 9 CO -0.00 -1.83 1.06 -1.25 -0.92 0.00 0.00 175.35 172.41 1wic s PRO 10 N -4.91 3.03 0.00 -1.68 0.04 -1.26 -5.08 135.00 125.15 1wic s PRO 10 Ca 0.62 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1wic s PRO 10 Cb -0.17 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wic s PRO 10 CO 0.56 -1.03 0.00 1.28 0.04 0.00 0.00 177.00 177.86 1wic n LEU 11 N -2.90 0.00 -4.36 -3.56 4.32 -1.26 -5.10 117.00 104.14 1wic n LEU 11 Ca 0.08 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.74 1wic n LEU 11 Cb 0.53 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.19 1wic n LEU 11 CO 0.54 -0.38 -0.46 -0.44 -1.22 0.00 0.00 177.39 175.43 1wic s SER 12 N -1.00 3.90 -0.07 -1.43 0.01 -1.26 -5.11 113.70 108.75 1wic s SER 12 Ca 0.00 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1wic s SER 12 Cb 0.00 -1.53 0.02 0.00 0.21 0.00 0.00 66.02 64.73 1wic s SER 12 CO 0.00 0.18 -0.07 -0.69 0.41 0.00 0.00 173.24 173.07 1wic s VAL 13 N 0.26 0.80 -0.80 3.43 1.01 -1.26 -2.41 120.40 121.43 1wic s VAL 13 Ca -0.10 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 1wic s VAL 13 Cb -0.16 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 1wic s VAL 13 CO 0.06 0.30 1.68 0.12 0.00 0.00 0.00 175.10 177.25 1wic s PHE 14 N 1.09 2.00 -1.08 5.22 5.36 0.31 -4.89 117.98 126.00 1wic s PHE 14 Ca -0.08 0.25 -0.24 0.00 -0.96 0.00 0.00 56.93 55.90 1wic s PHE 14 Cb -0.14 -4.31 -0.12 0.00 -0.34 0.00 0.00 43.02 38.11 1wic s PHE 14 CO -0.01 -2.04 2.02 0.15 -1.46 0.00 0.00 175.22 173.89 1wic s LYS 15 N 6.35 2.10 0.86 10.12 -0.14 -1.26 -1.70 119.74 136.07 1wic s LYS 15 Ca 0.57 -0.69 -0.11 0.00 -1.36 0.00 0.00 55.97 54.38 1wic s LYS 15 Cb -0.08 -5.11 0.11 0.00 -1.68 0.00 0.00 37.83 31.07 1wic s LYS 15 CO 0.08 -4.29 1.09 0.20 -0.76 0.00 0.00 175.35 171.67 1wic s GLY 16 N 7.65 1.63 0.36 -3.33 0.00 -1.26 -4.94 107.32 107.43 1wic s GLY 16 Ca 0.74 -0.01 0.27 0.00 0.00 0.00 0.00 44.72 45.72 1wic s GLY 16 CO 0.11 0.44 1.77 -0.56 0.00 0.00 0.00 173.10 174.87 1wic h PRO 17 N -1.40 0.00 0.00 2.90 0.13 -1.98 -3.42 132.00 128.24 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wic h PRO 17 CO 0.54 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.59 1wic n LEU 18 N -2.65 0.00 -4.35 1.56 4.77 -1.26 -4.70 117.00 110.37 1wic n LEU 18 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1wic n LEU 18 Cb 0.37 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1wic n LEU 18 CO 0.28 -0.18 -0.39 -0.22 -1.33 0.00 0.00 177.39 175.55 1wic s LEU 19 N -3.06 2.91 0.68 2.23 1.98 -1.26 -2.42 118.68 119.74 1wic s LEU 19 Ca 0.00 -0.33 -0.12 0.00 -2.89 0.00 0.00 54.13 50.79 1wic s LEU 19 Cb 0.00 -1.72 -0.00 0.00 0.66 0.00 0.00 46.19 45.13 1wic s LEU 19 CO 0.00 0.05 1.06 -1.00 -1.89 0.00 0.00 176.35 174.57 1wic s HIS 20 N 1.04 3.10 -0.09 5.38 3.76 -0.77 -4.27 115.29 123.44 1wic s HIS 20 Ca 0.00 1.44 0.04 0.00 -0.15 0.00 0.00 55.06 56.40 1wic s HIS 20 Cb -0.15 -2.90 -0.00 0.00 1.11 0.00 0.00 32.58 30.64 1wic s HIS 20 CO -0.00 -1.20 -0.24 0.42 -0.85 0.00 0.00 174.74 172.87 1wic s ILE 21 N -2.94 2.02 -0.07 0.60 -1.09 -0.69 -3.00 121.20 116.03 1wic s ILE 21 Ca 0.59 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.98 1wic s ILE 21 Cb -0.14 -1.74 0.03 0.00 -1.58 0.00 0.00 42.46 39.03 1wic s ILE 21 CO 0.52 0.55 0.02 -0.55 -1.23 0.00 0.00 174.94 174.25 1wic s SER 22 N 0.21 1.53 0.16 3.58 0.15 0.16 -0.53 113.70 118.96 1wic s SER 22 Ca -0.15 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wic s SER 22 Cb -0.17 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1wic s SER 22 CO 0.07 -0.22 0.00 -0.81 1.20 0.00 0.00 173.24 173.48 1wic n PRO 23 N 5.19 0.77 0.00 5.44 -0.04 -1.26 -0.36 135.00 144.74 1wic n PRO 23 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1wic n PRO 23 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1wic n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wic n ALA 24 N -3.00 0.00 -3.09 0.55 0.00 -1.01 -4.55 120.51 109.40 1wic n ALA 24 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1wic n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 2.61 -3.15 0.00 1.02 -1.26 -4.72 120.64 115.14 1wic n GLU 25 Ca 0.00 -4.51 0.04 0.00 -0.02 0.00 0.00 57.16 52.67 1wic n GLU 25 Cb 0.00 -2.11 -0.00 0.00 -0.02 0.00 0.00 31.44 29.31 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 -2.99 0.49 -0.24 3.49 4.04 -1.25 -4.32 118.70 117.92 1wic s GLU 26 Ca 0.45 0.59 -0.10 0.00 0.04 0.00 0.00 54.97 55.95 1wic s GLU 26 Cb 0.26 0.29 -0.05 0.00 0.02 0.00 0.00 34.13 34.65 1wic s GLU 26 CO -0.10 -0.82 0.16 -1.17 -1.84 0.00 0.00 175.26 171.49 1wic s LEU 27 N 2.86 4.09 -0.43 1.83 2.96 0.51 -4.71 118.68 125.79 1wic s LEU 27 Ca 0.14 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1wic s LEU 27 Cb -0.10 -2.10 0.12 0.00 0.50 0.00 0.00 46.19 44.60 1wic s LEU 27 CO -0.24 0.05 0.16 -0.31 -1.32 0.00 0.00 176.35 174.69 1wic s TYR 28 N 1.14 3.53 -0.69 5.38 2.02 -1.26 0.25 117.35 127.70 1wic s TYR 28 Ca 0.07 -3.00 -0.27 0.00 -0.37 0.00 0.00 57.07 53.50 1wic s TYR 28 Cb -0.14 -2.93 0.03 0.00 -0.40 0.00 0.00 41.96 38.52 1wic s TYR 28 CO 0.05 -0.87 1.23 -0.06 -1.57 0.00 0.00 175.55 174.33 1wic s PHE 29 N 0.44 2.40 0.00 2.71 0.40 -1.26 -4.35 117.98 118.32 1wic s PHE 29 Ca 0.13 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1wic s PHE 29 Cb -0.22 -4.56 0.00 0.00 0.51 0.00 0.00 43.02 38.75 1wic s PHE 29 CO -0.05 -1.91 0.00 0.41 0.70 0.00 0.00 175.22 174.37 1wic n GLY 30 N 5.30 -0.83 3.44 4.36 0.00 -1.26 -4.83 105.19 111.37 1wic n GLY 30 Ca 0.04 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.03 4.93 0.00 1.61 0.01 -1.26 -4.81 113.70 114.15 1wic s SER 31 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1wic s SER 31 Cb 0.00 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1wic s SER 31 CO 0.00 0.03 0.00 -0.38 0.41 0.00 0.00 173.24 173.30 1wic n ILE 32 N 4.51 0.00 -2.53 1.44 5.41 -1.26 -4.77 119.36 122.16 1wic n ILE 32 Ca -0.17 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.17 1wic n ILE 32 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.40 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 4.63 0.03 0.38 2.02 -1.26 -4.92 118.70 119.58 1wic s GLU 33 Ca 0.00 1.72 0.27 0.00 0.02 0.00 0.00 54.97 56.98 1wic s GLU 33 Cb 0.00 -3.26 0.88 0.00 0.10 0.00 0.00 34.13 31.86 1wic s GLU 33 CO 0.00 0.15 1.69 0.43 0.02 0.00 0.00 175.26 177.56 1wic n SER 34 N 1.98 0.30 -4.73 -0.19 7.64 -1.26 -4.75 113.62 112.61 1wic n SER 34 Ca 0.01 0.22 -0.41 0.00 1.01 0.00 0.00 58.87 59.70 1wic n SER 34 Cb 0.46 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.11 2.77 -0.13 0.23 0.00 -1.26 -4.42 107.32 101.40 1wic s GLY 35 Ca 0.12 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.57 1wic s GLY 35 CO 0.61 1.73 0.08 1.18 0.00 0.00 0.00 173.10 176.70 1wic n GLU 36 N 2.94 -2.67 -2.65 2.90 1.02 -1.26 -4.84 120.64 116.07 1wic n GLU 36 Ca 0.04 2.22 -0.41 0.00 -0.02 0.00 0.00 57.16 58.99 1wic n GLU 36 Cb 0.47 -3.20 0.02 0.00 -0.02 0.00 0.00 31.44 28.71 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 1.67 5.30 -4.60 3.49 5.02 -1.26 -4.55 118.16 123.22 1wic n LYS 37 Ca -0.14 -4.60 -0.31 0.00 -2.02 0.00 0.00 58.31 51.24 1wic n LYS 37 Cb 0.31 -2.48 -0.12 0.00 -0.02 0.00 0.00 35.03 32.71 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 -4.00 2.08 -0.13 1.97 0.00 -1.26 -4.34 119.74 114.07 1wic s LYS 38 Ca 0.39 -0.98 -0.05 0.00 0.00 0.00 0.00 55.97 55.33 1wic s LYS 38 Cb 0.17 -2.21 -0.04 0.00 0.00 0.00 0.00 37.83 35.76 1wic s LYS 38 CO -0.10 0.54 0.06 -0.08 0.00 0.00 0.00 175.35 175.77 1wic s THR 39 N -0.96 4.80 -0.24 3.79 -1.32 0.11 -4.57 115.64 117.26 1wic s THR 39 Ca 0.15 -0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1wic s THR 39 Cb -0.11 -3.09 0.01 0.00 -1.51 0.00 0.00 72.50 67.80 1wic s THR 39 CO 0.06 0.56 -0.03 -0.22 -2.21 0.00 0.00 174.62 172.78 1wic s LEU 40 N -0.48 3.11 0.12 9.08 2.96 -1.26 0.22 118.68 132.42 1wic s LEU 40 Ca 0.10 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 1wic s LEU 40 Cb -0.12 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1wic s LEU 40 CO 0.02 -0.08 0.44 -0.63 -1.32 0.00 0.00 176.35 174.78 1wic s ILE 41 N 1.43 5.04 -0.01 6.68 1.01 0.44 -4.67 121.20 131.12 1wic s ILE 41 Ca 0.04 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1wic s ILE 41 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1wic s ILE 41 CO -0.03 0.20 -0.11 -0.69 0.00 0.00 0.00 174.94 174.31 1wic s VAL 42 N -1.50 0.85 0.08 2.92 1.01 0.52 0.25 120.40 124.52 1wic s VAL 42 Ca 0.37 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1wic s VAL 42 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1wic s VAL 42 CO 0.20 0.23 -0.22 -0.76 0.00 0.00 0.00 175.10 174.54 1wic s LEU 43 N -0.28 2.23 -0.28 3.92 2.01 -1.04 0.35 118.68 125.60 1wic s LEU 43 Ca 0.04 -0.62 0.00 0.00 0.01 0.00 0.00 54.13 53.56 1wic s LEU 43 Cb -0.04 -1.02 0.05 0.00 0.01 0.00 0.00 46.19 45.19 1wic s LEU 43 CO -0.00 0.14 -0.06 -0.89 1.01 0.00 0.00 176.35 176.55 1wic s THR 44 N -0.96 2.63 -1.08 5.49 2.01 -1.16 -1.85 115.64 120.72 1wic s THR 44 Ca 0.09 -1.44 -0.22 0.00 0.31 0.00 0.00 61.69 60.43 1wic s THR 44 Cb -0.10 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1wic s THR 44 CO 0.03 -0.03 1.74 0.21 -0.69 0.00 0.00 174.62 175.89 1wic s ASN 45 N 1.20 5.91 0.33 3.53 3.84 -0.61 -1.85 114.94 127.29 1wic s ASN 45 Ca -0.06 -1.49 0.14 0.00 0.21 0.00 0.00 52.86 51.67 1wic s ASN 45 Cb -0.19 -2.57 0.57 0.00 -0.55 0.00 0.00 41.25 38.50 1wic s ASN 45 CO -0.03 -2.09 1.71 -0.37 -2.79 0.00 0.00 177.10 173.53 1wic h VAL 46 N 6.55 1.20 -4.27 -5.21 -1.51 -1.78 0.40 116.25 111.63 1wic h VAL 46 Ca 0.23 -1.70 -0.52 0.00 -1.23 0.00 0.00 66.70 63.48 1wic h VAL 46 Cb 0.97 1.95 0.15 0.00 -2.13 0.00 0.00 31.29 32.23 1wic h VAL 46 CO 1.33 0.46 0.31 0.42 -1.23 0.00 0.00 177.57 178.87 1wic s THR 47 N -3.75 2.82 -0.37 7.19 -4.23 -1.24 -4.75 115.64 111.30 1wic s THR 47 Ca -0.01 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.85 1wic s THR 47 Cb 0.13 -2.67 0.57 0.00 1.34 0.00 0.00 72.50 71.87 1wic s THR 47 CO 0.72 -0.31 1.71 1.17 -0.54 0.00 0.00 174.62 177.37 1wic n LYS 48 N -3.44 2.44 -3.77 3.99 3.00 -1.26 -3.84 118.16 115.28 1wic n LYS 48 Ca 0.11 -2.49 -0.13 0.00 -0.00 0.00 0.00 58.31 55.80 1wic n LYS 48 Cb 0.52 -2.00 -0.10 0.00 0.00 0.00 0.00 35.03 33.45 1wic n LYS 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1wic s ASN 49 N -0.84 -0.26 0.41 3.14 0.01 -1.26 -4.86 114.94 111.28 1wic s ASN 49 Ca 0.46 0.39 -0.22 0.00 -0.71 0.00 0.00 52.86 52.78 1wic s ASN 49 Cb 0.38 0.50 -0.13 0.00 0.41 0.00 0.00 41.25 42.41 1wic s ASN 49 CO 0.10 -0.24 0.47 -0.38 -1.51 0.00 0.00 177.10 175.54 1wic n ILE 50 N 2.28 1.58 -4.13 0.60 5.41 -1.26 -4.44 119.36 119.40 1wic n ILE 50 Ca -0.16 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 62.82 1wic n ILE 50 Cb 0.57 -0.43 -0.17 0.00 -0.71 0.00 0.00 39.64 38.90 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 -1.48 1.17 -0.45 1.39 1.01 -0.11 0.11 120.40 122.04 1wic s VAL 51 Ca 0.62 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 1wic s VAL 51 Cb -0.62 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1wic s VAL 51 CO 0.59 0.38 0.73 0.00 0.00 0.00 0.00 175.10 176.80 1wic s ALA 52 N 1.36 3.31 0.26 5.51 0.00 0.40 0.21 121.76 132.81 1wic s ALA 52 Ca -0.01 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1wic s ALA 52 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1wic s ALA 52 CO -0.05 -1.90 0.29 -0.59 0.00 0.00 0.00 175.76 173.51 1wic s PHE 53 N 3.10 3.25 -0.18 0.00 -0.71 0.65 -1.48 117.98 122.61 1wic s PHE 53 Ca 0.26 -0.09 -0.10 0.00 -1.04 0.00 0.00 56.93 55.96 1wic s PHE 53 Cb -0.13 -1.54 0.06 0.00 -1.21 0.00 0.00 43.02 40.19 1wic s PHE 53 CO 0.20 0.43 0.44 0.15 -1.34 0.00 0.00 175.22 175.10 1wic s LYS 54 N -3.94 0.43 -0.13 1.99 1.02 -0.50 -2.87 119.74 115.75 1wic s LYS 54 Ca 0.35 0.81 -0.06 0.00 0.02 0.00 0.00 55.97 57.08 1wic s LYS 54 Cb -0.08 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1wic s LYS 54 CO 0.27 -0.15 0.10 0.08 -0.92 0.00 0.00 175.35 174.73 1wic s VAL 55 N 1.30 5.14 0.17 3.17 1.01 -1.26 0.20 120.40 130.13 1wic s VAL 55 Ca -0.09 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 1wic s VAL 55 Cb -0.08 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1wic s VAL 55 CO -0.12 0.58 0.24 0.00 0.00 0.00 0.00 175.10 175.80 1wic s ARG 56 N -0.67 1.16 0.28 2.72 3.03 0.29 -4.91 118.95 120.86 1wic s ARG 56 Ca 0.12 -1.29 -0.21 0.00 2.03 0.00 0.00 55.73 56.38 1wic s ARG 56 Cb -0.12 0.35 0.03 0.00 -1.03 0.00 0.00 34.95 34.18 1wic s ARG 56 CO 0.02 -0.41 0.75 -0.08 -1.13 0.00 0.00 175.30 174.46 1wic s THR 57 N -4.01 0.00 -2.02 4.99 -1.32 -1.26 0.21 115.64 112.23 1wic s THR 57 Ca 0.22 -0.96 0.14 0.00 -1.21 0.00 0.00 61.69 59.88 1wic s THR 57 Cb 0.04 -2.09 0.39 0.00 -1.51 0.00 0.00 72.50 69.33 1wic s THR 57 CO 0.03 0.00 1.52 0.35 -2.21 0.00 0.00 174.62 174.31 1wic n THR 58 N -0.47 0.03 -2.87 5.08 -2.24 -0.98 -4.07 114.28 108.76 1wic n THR 58 Ca -0.05 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1wic n THR 58 Cb 0.59 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.59 -0.74 0.23 6.98 0.00 -1.26 -4.97 120.51 120.16 1wic n ALA 59 Ca 0.11 -1.65 0.12 0.00 0.00 0.00 0.00 53.44 52.02 1wic n ALA 59 Cb 0.08 -1.28 0.38 0.00 0.00 0.00 0.00 19.45 18.63 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 4.54 0.00 -0.98 0.00 0.13 -1.85 -2.81 132.00 131.03 1wic h PRO 60 Ca -0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.88 1wic h PRO 60 Cb 1.03 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.02 1wic h PRO 60 CO 0.23 0.11 0.31 -0.85 -0.23 0.00 0.00 178.00 177.56 1wic n GLU 61 N -3.17 1.77 0.00 0.86 0.28 -1.26 -3.93 120.64 115.19 1wic n GLU 61 Ca 0.02 -1.55 0.00 0.00 -0.16 0.00 0.00 57.16 55.46 1wic n GLU 61 Cb 0.46 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.70 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 -0.28 0.00 -3.86 3.44 5.02 -1.13 -4.97 118.16 116.37 1wic n LYS 62 Ca 0.29 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.22 1wic n LYS 62 Cb 1.07 -0.17 -0.12 0.00 -0.02 0.00 0.00 35.03 35.79 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 -1.63 3.11 -0.51 2.13 2.02 -1.08 0.13 117.35 121.52 1wic s TYR 63 Ca 0.00 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 1wic s TYR 63 Cb 0.00 -2.19 0.04 0.00 -0.40 0.00 0.00 41.96 39.41 1wic s TYR 63 CO 0.00 -0.23 0.81 0.50 -1.57 0.00 0.00 175.55 175.06 1wic s ARG 64 N 1.27 3.30 -0.13 -0.62 3.52 0.49 -4.72 118.95 122.06 1wic s ARG 64 Ca 0.05 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.22 1wic s ARG 64 Cb -0.15 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 1wic s ARG 64 CO 0.03 -1.30 0.09 0.08 -0.81 0.00 0.00 175.30 173.40 1wic s VAL 65 N 3.41 5.09 -0.28 7.11 1.01 -1.26 -2.15 120.40 133.33 1wic s VAL 65 Ca 0.26 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1wic s VAL 65 Cb -0.14 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 33.12 1wic s VAL 65 CO 0.19 0.57 0.80 -0.75 0.00 0.00 0.00 175.10 175.91 1wic s LYS 66 N -0.61 0.62 0.32 2.72 2.36 -0.49 -3.71 119.74 120.95 1wic s LYS 66 Ca 0.12 0.98 -0.27 0.00 -2.55 0.00 0.00 55.97 54.25 1wic s LYS 66 Cb -0.12 0.17 -0.09 0.00 -1.05 0.00 0.00 37.83 36.74 1wic s LYS 66 CO 0.02 -0.12 1.07 -1.25 1.55 0.00 0.00 175.35 176.63 1wic s PRO 67 N 1.25 4.47 -0.25 4.03 0.04 -1.25 0.43 135.00 143.72 1wic s PRO 67 Ca -0.07 1.67 0.12 0.00 0.04 0.00 0.00 61.00 62.76 1wic s PRO 67 Cb -0.05 -2.95 0.49 0.00 0.04 0.00 0.00 34.50 32.04 1wic s PRO 67 CO -0.14 0.10 1.42 -1.13 0.04 0.00 0.00 177.00 177.28 1wic n SER 68 N 0.72 2.77 0.00 6.66 3.41 -1.24 -4.65 113.62 121.29 1wic n SER 68 Ca 0.01 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 1wic n SER 68 Cb 0.47 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.00 0.00 -2.75 4.04 6.94 -1.26 -4.18 115.26 117.04 1wic n ASN 69 Ca 0.28 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.76 1wic n ASN 69 Cb 0.95 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.40 1wic n ASN 69 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1wic n SER 70 N 0.00 -2.23 -4.36 0.53 7.64 -1.14 -4.94 113.62 109.13 1wic n SER 70 Ca 0.00 -2.53 -0.19 0.00 1.01 0.00 0.00 58.87 57.16 1wic n SER 70 Cb 0.00 3.71 -0.10 0.00 -1.01 0.00 0.00 64.21 66.81 1wic n SER 70 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wic s SER 71 N -3.03 2.57 -0.02 6.43 1.04 -1.26 -0.25 113.70 119.18 1wic s SER 71 Ca 0.16 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.61 1wic s SER 71 Cb -0.05 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1wic s SER 71 CO 0.11 -0.21 -0.25 0.00 0.98 0.00 0.00 173.24 173.87 1wic s ASP 73 N -0.58 4.92 -0.05 0.00 1.01 -1.26 -0.93 116.67 119.78 1wic s ASP 73 Ca 0.09 1.71 -0.30 0.00 0.71 0.00 0.00 52.55 54.77 1wic s ASP 73 Cb -0.10 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1wic s ASP 73 CO -0.01 -1.75 1.22 -2.16 0.21 0.00 0.00 175.17 172.68 1wic s PRO 74 N -4.98 4.34 0.00 8.23 0.04 -1.26 -3.13 135.00 138.25 1wic s PRO 74 Ca 0.60 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1wic s PRO 74 Cb -0.16 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1wic s PRO 74 CO 0.56 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1wic n GLY 75 N 3.39 0.84 3.36 0.56 0.00 0.13 -4.95 105.19 108.53 1wic n GLY 75 Ca 0.11 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.35 1.37 -0.02 4.61 0.00 -1.18 -5.01 121.76 119.19 1wic s ALA 76 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.14 1wic s ALA 76 Cb 0.00 1.35 0.01 0.00 0.00 0.00 0.00 23.12 24.48 1wic s ALA 76 CO 0.00 -0.71 -0.03 -1.54 0.00 0.00 0.00 175.76 173.48 1wic s SER 77 N -3.30 0.53 0.41 0.00 1.04 -1.26 -1.58 113.70 109.55 1wic s SER 77 Ca 0.37 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.81 1wic s SER 77 Cb 0.02 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 1wic s SER 77 CO 0.24 -0.02 0.42 -0.51 0.98 0.00 0.00 173.24 174.35 1wic s ILE 78 N 0.49 2.79 -0.06 -1.02 2.07 -0.77 -4.93 121.20 119.77 1wic s ILE 78 Ca -0.05 -1.25 0.02 0.00 -1.41 0.00 0.00 60.65 57.95 1wic s ILE 78 Cb -0.08 -3.01 0.02 0.00 0.13 0.00 0.00 42.46 39.51 1wic s ILE 78 CO -0.01 -0.01 -0.10 -1.81 -1.91 0.00 0.00 174.94 171.11 1wic s ASP 79 N -4.18 1.52 -0.31 4.50 1.01 -1.26 -2.51 116.67 115.45 1wic s ASP 79 Ca 0.50 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.53 1wic s ASP 79 Cb -0.05 -0.71 0.09 0.00 1.01 0.00 0.00 42.92 43.26 1wic s ASP 79 CO 0.29 0.01 0.02 -0.63 0.21 0.00 0.00 175.17 175.07 1wic s ILE 80 N 0.74 1.90 0.40 0.77 -1.09 0.68 -3.87 121.20 120.74 1wic s ILE 80 Ca -0.13 -1.90 -0.24 0.00 -2.23 0.00 0.00 60.65 56.14 1wic s ILE 80 Cb -0.15 -2.31 -0.09 0.00 -1.58 0.00 0.00 42.46 38.33 1wic s ILE 80 CO 0.03 -0.45 1.06 -0.63 -1.23 0.00 0.00 174.94 173.71 1wic s ILE 81 N 1.13 3.67 -0.23 2.92 1.09 0.17 0.17 121.20 130.12 1wic s ILE 81 Ca 0.05 1.28 -0.04 0.00 -1.10 0.00 0.00 60.65 60.84 1wic s ILE 81 Cb -0.19 -3.66 0.08 0.00 -1.06 0.00 0.00 42.46 37.63 1wic s ILE 81 CO -0.10 0.01 0.11 -0.69 -0.10 0.00 0.00 174.94 174.17 1wic s VAL 82 N -1.64 -0.09 0.03 2.92 1.01 0.60 -1.40 120.40 121.82 1wic s VAL 82 Ca 0.58 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1wic s VAL 82 Cb -0.23 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1wic s VAL 82 CO 0.28 -0.49 -0.17 -0.55 0.00 0.00 0.00 175.10 174.17 1wic s SER 83 N 2.13 2.03 1.05 3.32 0.15 -0.91 0.10 113.70 121.57 1wic s SER 83 Ca 0.05 -0.44 -0.17 0.00 0.70 0.00 0.00 55.95 56.10 1wic s SER 83 Cb -0.16 -0.17 0.23 0.00 -1.71 0.00 0.00 66.02 64.20 1wic s SER 83 CO -0.22 0.13 1.21 -2.16 1.20 0.00 0.00 173.24 173.39 1wic s PRO 84 N -0.94 -0.05 -0.06 5.44 0.04 -1.26 0.19 135.00 138.36 1wic s PRO 84 Ca 0.05 -0.16 -0.17 0.00 0.04 0.00 0.00 61.00 60.76 1wic s PRO 84 Cb -0.08 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1wic s PRO 84 CO 0.01 -2.91 0.47 -1.58 0.04 0.00 0.00 177.00 173.03 1wic s HIS 85 N -3.43 3.62 -0.12 0.56 5.65 0.34 -4.63 115.29 117.28 1wic s HIS 85 Ca 0.71 0.98 -0.35 0.00 0.25 0.00 0.00 55.06 56.65 1wic s HIS 85 Cb -0.08 -2.47 -0.12 0.00 -1.18 0.00 0.00 32.58 28.74 1wic s HIS 85 CO 0.54 0.37 1.89 0.41 -0.65 0.00 0.00 174.74 177.31 1wic n GLY 86 N 2.61 1.38 0.00 1.59 0.00 -1.26 -1.91 105.19 107.60 1wic n GLY 86 Ca -0.10 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 4.50 3.62 0.00 -0.02 0.00 -1.26 -5.08 105.19 106.94 1wic n GLY 87 Ca 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1wic n GLY 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wic n LEU 88 N 0.00 0.00 -4.07 0.99 -0.00 -0.80 -5.15 117.00 107.97 1wic n LEU 88 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1wic n LEU 88 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1wic n LEU 88 CO 0.00 -0.31 0.10 0.28 -0.00 0.00 0.00 177.39 177.45 1wic s THR 89 N 1.14 0.00 -0.29 1.47 -1.32 -1.26 -4.85 115.64 110.53 1wic s THR 89 Ca 0.00 -1.58 -0.29 0.00 -1.21 0.00 0.00 61.69 58.61 1wic s THR 89 Cb 0.00 -2.45 -0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1wic s THR 89 CO 0.00 0.00 1.32 -0.69 -2.21 0.00 0.00 174.62 173.04 1wic s VAL 90 N -3.60 4.12 0.00 5.08 1.01 -1.26 -5.00 120.40 120.75 1wic s VAL 90 Ca 0.29 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1wic s VAL 90 Cb 0.01 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1wic s VAL 90 CO 0.14 -0.45 0.00 -0.24 0.00 0.00 0.00 175.10 174.56 1wic n SER 91 N 7.64 -0.03 -0.02 3.32 2.88 -1.26 -4.90 113.62 121.26 1wic n SER 91 Ca 0.15 -0.12 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 1wic n SER 91 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 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 2.38 0.46 -1.46 0.00 -1.26 -4.58 120.51 113.04 1wic n ALA 92 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.34 1wic n ALA 92 Cb 0.00 0.43 0.28 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.94 0.02 -2.05 0.00 10.64 -1.26 -4.67 117.38 117.12 1wic n GLN 93 Ca -0.08 0.27 -0.43 0.00 -1.83 0.00 0.00 57.00 54.94 1wic n GLN 93 Cb 0.56 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.42 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 -2.96 6.55 0.04 2.61 1.47 -1.26 -4.96 116.67 118.17 1wic s ASP 94 Ca 0.07 2.00 0.08 0.00 1.18 0.00 0.00 52.55 55.88 1wic s ASP 94 Cb 0.08 -2.53 -0.03 0.00 -0.34 0.00 0.00 42.92 40.10 1wic s ASP 94 CO 0.23 -1.06 -0.22 -0.60 0.68 0.00 0.00 175.17 174.20 1wic s ARG 95 N 4.29 1.95 0.16 2.11 6.06 -1.26 -4.22 118.95 128.04 1wic s ARG 95 Ca 0.73 -1.04 0.07 0.00 -2.50 0.00 0.00 55.73 52.99 1wic s ARG 95 Cb -0.30 -2.09 -0.04 0.00 0.06 0.00 0.00 34.95 32.57 1wic s ARG 95 CO 0.29 0.53 -0.01 -0.06 -2.50 0.00 0.00 175.30 173.55 1wic s PHE 96 N -0.87 2.84 -0.01 5.12 0.40 -0.67 -2.31 117.98 122.48 1wic s PHE 96 Ca 0.13 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1wic s PHE 96 Cb -0.10 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1wic s PHE 96 CO 0.04 0.51 -0.02 -1.17 0.70 0.00 0.00 175.22 175.27 1wic s LEU 97 N -2.86 1.86 -0.13 -0.37 2.96 0.58 0.17 118.68 120.89 1wic s LEU 97 Ca 0.27 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 1wic s LEU 97 Cb -0.10 -0.17 0.03 0.00 0.50 0.00 0.00 46.19 46.46 1wic s LEU 97 CO 0.18 0.01 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.51 1wic s ILE 98 N 0.12 1.15 0.24 6.68 1.01 0.30 0.11 121.20 130.81 1wic s ILE 98 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1wic s ILE 98 Cb -0.03 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1wic s ILE 98 CO -0.00 0.33 0.42 -0.04 0.00 0.00 0.00 174.94 175.65 1wic s MET 99 N 1.65 3.49 -0.30 2.79 -1.94 0.53 -0.67 119.30 124.86 1wic s MET 99 Ca 0.04 -0.44 -0.09 0.00 -1.71 0.00 0.00 55.69 53.49 1wic s MET 99 Cb -0.13 -2.81 0.15 0.00 2.01 0.00 0.00 34.83 34.05 1wic s MET 99 CO -0.09 0.35 0.71 0.00 -0.01 0.00 0.00 175.02 175.98 1wic s ALA 100 N -2.00 -2.26 -0.04 3.03 0.00 -0.45 -1.40 121.76 118.63 1wic s ALA 100 Ca 0.38 2.16 0.04 0.00 0.00 0.00 0.00 51.96 54.54 1wic s ALA 100 Cb -0.10 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 1wic s ALA 100 CO 0.31 -1.04 -0.16 0.00 0.00 0.00 0.00 175.76 174.87 1wic s ALA 101 N 2.82 1.44 -0.11 0.00 0.00 -0.55 0.14 121.76 125.50 1wic s ALA 101 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1wic s ALA 101 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1wic s ALA 101 CO -0.19 0.27 1.26 -2.00 0.00 0.00 0.00 175.76 175.10 1wic s GLU 102 N 0.00 4.28 0.58 0.00 2.12 -1.26 -0.45 118.70 123.97 1wic s GLU 102 Ca -0.02 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.01 1wic s GLU 102 Cb -0.11 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.66 1wic s GLU 102 CO 0.02 -0.59 0.82 -1.64 -0.54 0.00 0.00 175.26 173.32 1wic s MET 103 N 2.91 2.43 0.00 4.30 -1.94 0.31 -4.94 119.30 122.37 1wic s MET 103 Ca 0.56 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.76 1wic s MET 103 Cb -0.24 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 34.15 1wic s MET 103 CO 0.19 -0.83 0.00 0.39 -0.01 0.00 0.00 175.02 174.76 1wic n GLU 104 N -2.44 3.09 0.00 2.03 1.02 -1.26 -4.35 120.64 118.73 1wic n GLU 104 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1wic n GLU 104 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1wic n GLU 104 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1wic n GLN 105 N 0.00 0.00 -2.18 3.49 1.13 -1.26 -4.14 117.38 114.42 1wic n GLN 105 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1wic n GLN 105 Cb 0.00 -0.35 -0.02 0.00 0.11 0.00 0.00 30.24 29.97 1wic n GLN 105 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1wic s SER 106 N -1.00 6.60 -0.08 1.08 0.01 -1.26 -4.80 113.70 114.25 1wic s SER 106 Ca 0.00 1.76 -0.03 0.00 1.31 0.00 0.00 55.95 58.99 1wic s SER 106 Cb 0.00 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.74 1wic s SER 106 CO 0.00 -1.05 0.12 -0.44 0.41 0.00 0.00 173.24 172.28 1wic s SER 107 N 3.40 1.02 0.32 2.44 0.01 -1.26 -5.00 113.70 114.63 1wic s SER 107 Ca 0.67 0.16 0.24 0.00 1.31 0.00 0.00 55.95 58.33 1wic s SER 107 Cb -0.26 0.09 1.13 0.00 0.21 0.00 0.00 66.02 67.20 1wic s SER 107 CO 0.26 -0.26 1.74 1.23 0.41 0.00 0.00 173.24 176.62 1wic h GLY 108 N 8.39 0.00 -7.01 3.44 0.00 -1.96 -3.46 103.07 102.48 1wic h GLY 108 Ca -0.13 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.60 1wic h GLY 108 CO 0.16 0.00 -0.97 -1.30 0.00 0.00 0.00 176.54 174.43 1wic n THR 109 N -2.34 -1.55 -3.90 4.70 -2.24 -1.26 -4.93 114.28 102.76 1wic n THR 109 Ca 0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1wic n THR 109 Cb 0.16 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 -2.44 4.55 0.20 3.38 0.00 -1.26 -4.81 105.19 104.81 1wic n GLY 110 Ca -0.28 -2.17 0.14 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.92 -2.72 132.00 129.10 1wic h PRO 111 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wic h PRO 111 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wic h PRO 111 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1wic n ALA 112 N -1.97 0.00 -0.31 -0.56 0.00 -1.26 -3.18 120.51 113.23 1wic n ALA 112 Ca 0.03 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1wic n ALA 112 Cb 0.38 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.00 -0.07 0.23 0.00 -0.58 -1.26 -0.35 120.64 116.61 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 -1.02 -4.62 3.38 -1.69 0.63 115.31 111.48 1wic h LEU 114 Ca 0.57 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.96 1wic h LEU 114 Cb 1.23 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.95 1wic h LEU 114 CO -0.84 -0.34 0.59 -1.20 0.09 0.00 0.00 178.44 176.74 1wic n SER 115 N -3.66 0.29 0.01 -0.43 7.64 0.53 0.16 113.62 118.15 1wic n SER 115 Ca -0.07 1.47 -0.11 0.00 1.01 0.00 0.00 58.87 61.17 1wic n SER 115 Cb 0.23 -0.72 -0.08 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.12 -0.74 1.43 1.08 -0.50 -2.59 115.11 113.67 1wic h GLN 116 Ca 0.79 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 58.10 1wic h GLN 116 Cb 2.23 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 29.64 1wic h GLN 116 CO -0.64 0.41 0.49 0.35 -0.95 0.00 0.00 178.83 178.49 1wic h PHE 117 N -0.86 0.69 0.00 2.96 3.57 0.63 0.92 116.94 124.84 1wic h PHE 117 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1wic h PHE 117 Cb 0.58 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1wic h PHE 117 CO 0.12 0.32 0.00 -1.49 -2.23 0.00 0.00 178.31 175.04 1wic h TRP 118 N 0.64 0.00 0.00 0.41 4.06 0.15 1.28 115.95 122.49 1wic h TRP 118 Ca 0.34 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.21 1wic h TRP 118 Cb 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 1wic h TRP 118 CO -0.00 0.00 -1.50 1.17 -3.56 0.00 0.00 178.44 174.55 1wic n LYS 119 N -2.61 0.63 -0.07 0.49 0.00 0.27 -4.30 118.16 112.57 1wic n LYS 119 Ca 0.03 0.07 -0.20 0.00 0.00 0.00 0.00 58.31 58.20 1wic n LYS 119 Cb 0.34 -1.72 -0.13 0.00 0.00 0.00 0.00 35.03 33.52 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 -2.65 0.70 -2.32 1.64 1.02 0.16 -4.87 120.64 114.32 1wic n GLU 120 Ca -0.07 0.22 -0.43 0.00 -0.02 0.00 0.00 57.16 56.87 1wic n GLU 120 Cb 0.70 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.53 4.08 0.92 2.62 0.11 0.44 -5.00 120.40 121.02 1wic s VAL 121 Ca -0.29 1.29 -0.12 0.00 -2.93 0.00 0.00 61.98 59.92 1wic s VAL 121 Cb 0.08 -3.89 0.14 0.00 -1.53 0.00 0.00 36.38 31.18 1wic s VAL 121 CO 0.67 -0.18 1.14 -2.16 -3.33 0.00 0.00 175.10 171.24 1wic s PRO 122 N 3.79 1.10 0.00 1.54 0.04 -1.26 -4.77 135.00 135.45 1wic s PRO 122 Ca 0.60 0.28 0.25 0.00 0.04 0.00 0.00 61.00 62.17 1wic s PRO 122 Cb -0.24 -1.84 1.50 0.00 0.04 0.00 0.00 34.50 33.97 1wic s PRO 122 CO 0.20 -2.22 1.90 2.89 0.04 0.00 0.00 177.00 179.80 1wic n ARG 123 N -3.78 0.87 -0.01 4.56 -4.01 -1.26 -1.80 116.66 111.23 1wic n ARG 123 Ca 0.07 0.00 0.11 0.00 -1.04 0.00 0.00 57.85 56.98 1wic n ARG 123 Cb 0.59 -1.45 -0.16 0.00 -3.04 0.00 0.00 32.46 28.41 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 -0.95 0.26 -0.09 2.89 5.15 -1.26 -4.28 115.26 116.98 1wic n ASN 124 Ca 0.19 -0.25 -0.07 0.00 -0.60 0.00 0.00 54.58 53.84 1wic n ASN 124 Cb 0.09 1.73 -0.16 0.00 -0.53 0.00 0.00 39.78 40.91 1wic n ASN 124 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wic n LYS 125 N -2.07 0.74 -3.47 1.20 4.76 -0.95 -4.92 118.16 113.46 1wic n LYS 125 Ca -0.02 -0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 55.01 1wic n LYS 125 Cb 0.51 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.60 5.09 0.49 -0.18 0.11 -0.75 -4.49 120.40 118.07 1wic s VAL 126 Ca -0.10 0.83 -0.15 0.00 -2.93 0.00 0.00 61.98 59.64 1wic s VAL 126 Cb 0.07 -3.73 -0.07 0.00 -1.53 0.00 0.00 36.38 31.12 1wic s VAL 126 CO 0.82 0.51 0.94 -0.32 -3.33 0.00 0.00 175.10 173.72 1wic s MET 127 N -0.56 3.90 -0.09 1.54 1.75 0.37 -4.78 119.30 121.42 1wic s MET 127 Ca 0.23 0.84 -0.03 0.00 -1.25 0.00 0.00 55.69 55.48 1wic s MET 127 Cb -0.16 -2.19 0.04 0.00 2.84 0.00 0.00 34.83 35.37 1wic s MET 127 CO 0.12 -0.23 0.10 -1.21 -0.65 0.00 0.00 175.02 173.14 1wic s GLU 128 N -4.07 -0.01 -0.14 4.11 2.02 -1.26 -1.35 118.70 118.01 1wic s GLU 128 Ca 0.57 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.89 1wic s GLU 128 Cb -0.10 -0.79 0.01 0.00 0.10 0.00 0.00 34.13 33.35 1wic s GLU 128 CO 0.32 -0.42 -0.21 -1.58 0.02 0.00 0.00 175.26 173.39 1wic s HIS 129 N 2.20 2.58 -0.24 1.61 2.46 0.16 -4.94 115.29 119.11 1wic s HIS 129 Ca 0.04 -1.30 -0.13 0.00 0.47 0.00 0.00 55.06 54.15 1wic s HIS 129 Cb -0.13 -1.76 -0.04 0.00 -0.13 0.00 0.00 32.58 30.51 1wic s HIS 129 CO -0.05 -0.60 0.26 1.03 -2.47 0.00 0.00 174.74 172.91 1wic s ARG 130 N 0.85 4.06 0.30 2.88 3.00 -1.26 0.11 118.95 128.89 1wic s ARG 130 Ca -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 55.73 55.55 1wic s ARG 130 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.18 1wic s ARG 130 CO -0.02 -0.07 0.51 -0.51 0.00 0.00 0.00 175.30 175.21 1wic s LEU 131 N 1.43 4.08 0.10 2.53 1.43 0.46 -4.80 118.68 123.91 1wic s LEU 131 Ca 0.12 0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.78 1wic s LEU 131 Cb -0.15 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1wic s LEU 131 CO 0.07 -0.21 -0.23 0.00 0.23 0.00 0.00 176.35 176.21 1wic s ARG 132 N -3.94 1.27 -0.23 1.70 1.04 -1.26 -1.66 118.95 115.86 1wic s ARG 132 Ca 0.40 -1.18 -0.16 0.00 -1.04 0.00 0.00 55.73 53.75 1wic s ARG 132 Cb -0.10 -1.58 -0.04 0.00 -2.04 0.00 0.00 34.95 31.20 1wic s ARG 132 CO 0.33 0.38 0.42 0.00 -0.04 0.00 0.00 175.30 176.38 1wic s HIS 134 N 1.67 3.47 0.00 0.00 2.46 0.14 -4.85 115.29 118.17 1wic s HIS 134 Ca 0.19 -1.77 0.00 0.00 0.47 0.00 0.00 55.06 53.94 1wic s HIS 134 Cb -0.15 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.20 1wic s HIS 134 CO 0.09 -1.27 0.00 -2.37 -2.47 0.00 0.00 174.74 168.72 1wic n THR 135 N 4.68 0.00 -2.88 0.89 5.66 -1.26 -4.76 114.28 116.61 1wic n THR 135 Ca 0.22 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.11 1wic n THR 135 Cb 0.47 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 1wic n THR 135 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1wic n VAL 136 N 0.00 0.00 -4.30 1.08 0.24 -1.26 -5.10 118.33 108.99 1wic n VAL 136 Ca 0.00 -1.01 -0.17 0.00 -2.04 0.00 0.00 64.34 61.12 1wic n VAL 136 Cb 0.00 -0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 31.45 1wic n VAL 136 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1wic s GLU 137 N -3.55 1.49 0.47 7.34 2.12 -1.26 -4.37 118.70 120.93 1wic s GLU 137 Ca 0.34 -1.83 0.07 0.00 0.36 0.00 0.00 54.97 53.91 1wic s GLU 137 Cb -0.03 -0.04 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 1wic s GLU 137 CO 0.22 -0.42 0.34 0.45 -0.54 0.00 0.00 175.26 175.31 1wic s SER 138 N -3.32 4.71 -0.21 -1.70 0.15 -1.26 -5.07 113.70 107.00 1wic s SER 138 Ca 0.37 -1.05 -0.04 0.00 0.70 0.00 0.00 55.95 55.93 1wic s SER 138 Cb 0.06 -0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.36 1wic s SER 138 CO 0.16 -0.82 0.27 -0.55 1.20 0.00 0.00 173.24 173.50 1wic s SER 139 N -4.14 1.00 0.07 5.45 0.15 -1.26 -5.15 113.70 109.83 1wic s SER 139 Ca 0.40 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1wic s SER 139 Cb -0.01 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1wic s SER 139 CO 0.24 -0.32 -0.08 -1.59 1.20 0.00 0.00 173.24 172.69 1wic s LYS 140 N 2.40 0.70 0.87 5.44 -2.85 -1.26 -5.16 119.74 119.87 1wic s LYS 140 Ca 0.09 -1.05 -0.15 0.00 -1.00 0.00 0.00 55.97 53.86 1wic s LYS 140 Cb -0.16 -0.29 0.21 0.00 -2.06 0.00 0.00 37.83 35.53 1wic s LYS 140 CO -0.13 0.03 0.96 -0.35 0.10 0.00 0.00 175.35 175.95 1wic n PRO 141 N 0.73 -1.85 0.02 1.78 -0.04 -1.26 -5.06 135.00 129.32 1wic n PRO 141 Ca -0.18 -1.50 -0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1wic n PRO 141 Cb 0.58 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1wic n PRO 141 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wic n ASN 142 N -4.07 0.73 -2.16 3.54 4.13 -1.26 -5.14 115.26 111.02 1wic n ASN 142 Ca 0.13 0.09 -0.08 0.00 1.68 0.00 0.00 54.58 56.40 1wic n ASN 142 Cb 0.46 -0.24 -0.01 0.00 -1.54 0.00 0.00 39.78 38.45 1wic n ASN 142 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wic n SER 143 N -3.16 -0.93 -4.47 6.41 2.88 -1.26 -5.15 113.62 107.94 1wic n SER 143 Ca -0.01 -2.09 -0.34 0.00 -1.33 0.00 0.00 58.87 55.11 1wic n SER 143 Cb 0.02 1.68 -0.13 0.00 -0.75 0.00 0.00 64.21 65.04 1wic n SER 143 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wic s LEU 144 N 0.00 3.16 0.27 2.46 1.43 -1.26 -5.08 118.68 119.67 1wic s LEU 144 Ca 0.16 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 1wic s LEU 144 Cb -0.01 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.33 1wic s LEU 144 CO 0.11 0.15 1.63 -0.04 0.23 0.00 0.00 176.35 178.44 1wic s MET 145 N 0.47 4.11 1.00 1.70 -1.94 -1.26 -4.94 119.30 118.43 1wic s MET 145 Ca -0.04 2.60 -0.13 0.00 -1.71 0.00 0.00 55.69 56.41 1wic s MET 145 Cb -0.14 -3.03 0.12 0.00 2.01 0.00 0.00 34.83 33.78 1wic s MET 145 CO 0.03 -0.67 0.65 1.28 -0.01 0.00 0.00 175.02 176.29 1wic n LEU 146 N 2.60 0.32 0.00 -0.03 4.32 -1.26 -3.36 117.00 119.59 1wic n LEU 146 Ca 0.10 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1wic n LEU 146 Cb 0.37 -1.26 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 1wic n LEU 146 CO 0.64 -3.06 0.00 -0.24 -1.22 0.00 0.00 177.39 173.50 1wic n SER 147 N -2.77 0.00 -3.62 -1.43 2.88 -1.26 -4.73 113.62 102.69 1wic n SER 147 Ca 0.07 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.46 1wic n SER 147 Cb 0.55 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1wic n SER 147 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wic s GLY 148 N 0.00 -0.47 0.92 0.46 0.00 -1.21 -5.17 107.32 101.84 1wic s GLY 148 Ca 0.00 1.45 -0.13 0.00 0.00 0.00 0.00 44.72 46.04 1wic s GLY 148 CO 0.00 1.16 1.14 2.56 0.00 0.00 0.00 173.10 177.97 1wic s PRO 149 N -0.39 1.07 -0.28 2.90 0.04 -1.25 -4.58 135.00 132.51 1wic s PRO 149 Ca -0.05 0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.26 1wic s PRO 149 Cb -0.03 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.76 1wic s PRO 149 CO 0.04 -2.24 0.01 -1.54 0.04 0.00 0.00 177.00 173.31 1wic s SER 150 N -4.05 4.11 0.46 6.66 1.04 -1.26 -5.02 113.70 115.63 1wic s SER 150 Ca 0.64 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1wic s SER 150 Cb -0.14 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.77 1wic s SER 150 CO 0.53 -0.31 0.00 -0.24 0.98 0.00 0.00 173.24 174.20 1wic n SER 151 N 4.61 -7.02 0.00 7.02 2.88 -1.26 -5.12 113.62 114.74 1wic n SER 151 Ca -0.06 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1wic n SER 151 Cb 0.43 -4.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 1wic n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42