#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p7k s VAL 2 N 0.00 2.38 -0.10 -0.39 1.01 -1.26 -4.08 120.40 117.95 1p7k s VAL 2 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1p7k s VAL 2 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1p7k s VAL 2 CO 0.00 0.06 0.26 -0.75 0.00 0.00 0.00 175.10 174.67 1p7k s LYS 3 N -0.78 0.28 -0.21 2.72 2.47 -0.58 -4.99 119.74 118.64 1p7k s LYS 3 Ca 0.59 0.44 0.01 0.00 -1.56 0.00 0.00 55.97 55.45 1p7k s LYS 3 Cb -0.44 0.06 0.05 0.00 -1.46 0.00 0.00 37.83 36.03 1p7k s LYS 3 CO 0.48 -0.08 -0.11 -0.51 0.16 0.00 0.00 175.35 175.29 1p7k s LEU 4 N 0.54 2.58 -0.46 5.43 1.43 -1.26 -1.28 118.68 125.66 1p7k s LEU 4 Ca -0.03 -1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 51.88 1p7k s LEU 4 Cb -0.05 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.87 1p7k s LEU 4 CO -0.03 -0.14 0.50 -0.22 0.23 0.00 0.00 176.35 176.68 1p7k s LEU 5 N 1.31 5.02 0.35 1.79 2.96 0.23 -4.62 118.68 125.71 1p7k s LEU 5 Ca -0.03 -0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 52.95 1p7k s LEU 5 Cb -0.17 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 1p7k s LEU 5 CO -0.08 -0.70 0.66 -1.83 -1.32 0.00 0.00 176.35 173.08 1p7k s GLU 6 N 2.23 3.68 0.73 1.98 1.03 -1.26 -0.90 118.70 126.19 1p7k s GLU 6 Ca 0.12 0.20 -0.11 0.00 0.03 0.00 0.00 54.97 55.21 1p7k s GLU 6 Cb -0.19 -2.53 0.03 0.00 -0.80 0.00 0.00 34.13 30.64 1p7k s GLU 6 CO 0.12 0.09 1.07 -1.54 -1.33 0.00 0.00 175.26 173.67 1p7k s SER 7 N -3.23 5.07 1.09 0.83 1.04 -0.74 -4.98 113.70 112.78 1p7k s SER 7 Ca 0.47 1.58 -0.12 0.00 0.48 0.00 0.00 55.95 58.35 1p7k s SER 7 Cb -0.10 -2.40 0.24 0.00 0.10 0.00 0.00 66.02 63.85 1p7k s SER 7 CO 0.31 -1.64 1.06 -0.83 0.98 0.00 0.00 173.24 173.12 1p7k s GLY 8 N -3.76 1.56 0.55 7.32 0.00 -1.26 -4.74 107.32 106.99 1p7k s GLY 8 Ca 0.59 -0.13 -0.21 0.00 0.00 0.00 0.00 44.72 44.97 1p7k s GLY 8 CO 0.55 0.52 1.20 -1.55 0.00 0.00 0.00 173.10 173.82 1p7k n PRO 9 N -4.62 1.38 -4.84 2.90 -0.04 -1.26 -4.78 135.00 123.74 1p7k n PRO 9 Ca 0.04 0.51 -0.33 0.00 -0.04 0.00 0.00 63.50 63.69 1p7k n PRO 9 Cb 0.55 -2.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.48 1p7k n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p7k s GLU 10 N -2.77 2.87 -0.24 0.54 0.41 0.56 -5.00 118.70 115.08 1p7k s GLU 10 Ca 0.73 -0.69 -0.01 0.00 -0.41 0.00 0.00 54.97 54.59 1p7k s GLU 10 Cb -0.43 -2.49 0.07 0.00 -1.78 0.00 0.00 34.13 29.50 1p7k s GLU 10 CO 0.49 0.46 0.01 -1.17 -0.49 0.00 0.00 175.26 174.56 1p7k s LEU 11 N -0.29 2.02 0.06 1.80 2.96 -1.26 -0.32 118.68 123.65 1p7k s LEU 11 Ca 0.02 -1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1p7k s LEU 11 Cb -0.13 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1p7k s LEU 11 CO 0.03 -0.30 -0.04 0.68 -1.32 0.00 0.00 176.35 175.39 1p7k s VAL 12 N 1.61 0.36 0.51 1.68 -7.23 -0.30 -5.00 120.40 112.03 1p7k s VAL 12 Ca -0.00 -1.74 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 1p7k s VAL 12 Cb -0.18 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.27 1p7k s VAL 12 CO -0.10 -0.90 0.93 -0.54 -0.31 0.00 0.00 175.10 174.18 1p7k s LYS 13 N -3.60 3.81 0.42 4.82 -0.14 -1.25 -0.78 119.74 123.02 1p7k s LYS 13 Ca 0.06 0.75 -0.25 0.00 -1.36 0.00 0.00 55.97 55.17 1p7k s LYS 13 Cb 0.05 -2.20 -0.10 0.00 -1.68 0.00 0.00 37.83 33.90 1p7k s LYS 13 CO -0.07 -0.28 1.22 -2.30 -0.76 0.00 0.00 175.35 173.16 1p7k n PRO 14 N -1.81 1.81 0.00 -1.68 -0.02 -1.26 -1.96 135.00 130.08 1p7k n PRO 14 Ca 0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1p7k n PRO 14 Cb 0.54 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1p7k n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p7k n GLY 15 N 0.89 2.42 3.96 -1.23 0.00 0.32 -4.92 105.19 106.63 1p7k n GLY 15 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1p7k n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p7k s ALA 16 N -2.25 2.66 0.22 4.61 0.00 -0.83 -4.29 121.76 121.89 1p7k s ALA 16 Ca 0.00 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1p7k s ALA 16 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1p7k s ALA 16 CO 0.00 -2.26 -0.12 -1.12 0.00 0.00 0.00 175.76 172.26 1p7k s SER 17 N -4.90 2.58 0.01 0.00 0.01 -1.26 -1.70 113.70 108.43 1p7k s SER 17 Ca 0.74 -1.07 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1p7k s SER 17 Cb -0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1p7k s SER 17 CO 0.51 -0.22 0.01 0.68 0.41 0.00 0.00 173.24 174.63 1p7k s VAL 18 N -3.00 0.08 -0.17 3.43 -7.23 -0.68 -4.99 120.40 107.83 1p7k s VAL 18 Ca 0.24 -0.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1p7k s VAL 18 Cb 0.01 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.75 1p7k s VAL 18 CO 0.08 -0.36 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.69 1p7k s LYS 19 N -1.09 1.58 0.28 4.82 2.20 -1.26 -1.00 119.74 125.28 1p7k s LYS 19 Ca -0.12 -0.56 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1p7k s LYS 19 Cb -0.07 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1p7k s LYS 19 CO -0.00 -0.41 0.24 0.00 -0.36 0.00 0.00 175.35 174.82 1p7k s MET 20 N 1.59 2.89 0.19 4.03 0.23 0.36 -4.93 119.30 123.66 1p7k s MET 20 Ca 0.01 -1.12 0.01 0.00 -1.03 0.00 0.00 55.69 53.56 1p7k s MET 20 Cb -0.15 -2.56 -0.05 0.00 -1.53 0.00 0.00 34.83 30.54 1p7k s MET 20 CO -0.08 0.29 0.03 -1.54 -2.03 0.00 0.00 175.02 171.70 1p7k s SER 21 N -3.91 1.14 -0.25 -1.18 1.04 -1.26 -1.38 113.70 107.91 1p7k s SER 21 Ca 0.36 -1.24 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 1p7k s SER 21 Cb -0.07 0.14 0.12 0.00 0.10 0.00 0.00 66.02 66.31 1p7k s SER 21 CO 0.26 -0.63 0.29 0.00 0.98 0.00 0.00 173.24 174.15 1p7k s LYS 23 N 2.40 4.06 0.07 0.00 2.20 -0.08 -1.17 119.74 127.22 1p7k s LYS 23 Ca 0.09 0.25 -0.09 0.00 -0.36 0.00 0.00 55.97 55.86 1p7k s LYS 23 Cb -0.15 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.47 1p7k s LYS 23 CO -0.21 -0.32 0.39 0.00 -0.36 0.00 0.00 175.35 174.84 1p7k s ALA 24 N 2.22 3.74 0.13 3.13 0.00 -0.08 -0.60 121.76 130.29 1p7k s ALA 24 Ca 0.20 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 1p7k s ALA 24 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1p7k s ALA 24 CO 0.09 0.58 0.28 -1.54 0.00 0.00 0.00 175.76 175.17 1p7k s SER 25 N -1.78 0.01 0.00 0.00 1.04 -0.41 -4.83 113.70 107.73 1p7k s SER 25 Ca 0.33 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1p7k s SER 25 Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1p7k s SER 25 CO 0.18 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1p7k n GLY 26 N -0.16 0.75 3.76 7.32 0.00 -1.26 -1.53 105.19 114.07 1p7k n GLY 26 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1p7k n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p7k s TYR 27 N -2.51 -0.15 -0.47 1.61 1.13 -1.26 -4.17 117.35 111.53 1p7k s TYR 27 Ca 0.00 -0.17 -0.27 0.00 -1.41 0.00 0.00 57.07 55.21 1p7k s TYR 27 Cb 0.00 0.65 0.03 0.00 -1.10 0.00 0.00 41.96 41.54 1p7k s TYR 27 CO 0.00 -0.89 1.03 0.99 -2.51 0.00 0.00 175.55 174.18 1p7k s THR 28 N -3.39 4.34 0.25 -3.49 2.01 -1.26 -4.93 115.64 109.17 1p7k s THR 28 Ca 0.12 0.99 -0.05 0.00 0.31 0.00 0.00 61.69 63.05 1p7k s THR 28 Cb -0.02 -4.52 0.27 0.00 0.01 0.00 0.00 72.50 68.23 1p7k s THR 28 CO 0.02 -0.92 1.65 0.15 -0.69 0.00 0.00 174.62 174.83 1p7k h PHE 29 N 9.15 0.11 0.00 4.92 3.57 -1.95 -1.45 116.94 131.30 1p7k h PHE 29 Ca -0.23 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1p7k h PHE 29 Cb 1.07 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1p7k h PHE 29 CO 0.92 -0.19 0.00 0.25 -2.23 0.00 0.00 178.31 177.06 1p7k n THR 30 N -5.27 0.31 1.34 4.41 -2.24 -1.26 -3.26 114.28 108.31 1p7k n THR 30 Ca 0.15 0.08 0.14 0.00 -2.27 0.00 0.00 64.05 62.14 1p7k n THR 30 Cb 0.50 -0.71 0.53 0.00 -2.10 0.00 0.00 70.33 68.55 1p7k n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1p7k n SER 31 N -1.28 0.64 -4.02 3.42 7.64 -0.54 -3.97 113.62 115.50 1p7k n SER 31 Ca 0.10 -0.65 -0.15 0.00 1.01 0.00 0.00 58.87 59.18 1p7k n SER 31 Cb 0.17 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.24 1p7k n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1p7k s TYR 32 N -2.50 0.63 0.55 1.43 1.51 -1.20 -4.89 117.35 112.88 1p7k s TYR 32 Ca 0.27 -0.30 -0.15 0.00 -1.01 0.00 0.00 57.07 55.87 1p7k s TYR 32 Cb 0.20 -0.39 -0.06 0.00 -0.11 0.00 0.00 41.96 41.60 1p7k s TYR 32 CO 0.49 -0.04 1.01 0.14 -1.11 0.00 0.00 175.55 176.04 1p7k s VAL 33 N -0.76 4.43 -0.19 0.71 -7.23 -1.26 -4.39 120.40 111.71 1p7k s VAL 33 Ca -0.04 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 1p7k s VAL 33 Cb -0.06 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.21 1p7k s VAL 33 CO 0.00 -0.74 -0.17 -0.32 -0.31 0.00 0.00 175.10 173.57 1p7k s MET 34 N -4.27 3.06 0.30 4.82 1.75 0.09 -1.08 119.30 123.96 1p7k s MET 34 Ca 0.59 -0.80 0.04 0.00 -1.25 0.00 0.00 55.69 54.28 1p7k s MET 34 Cb -0.11 -2.66 -0.02 0.00 2.84 0.00 0.00 34.83 34.87 1p7k s MET 34 CO 0.36 -0.21 0.45 -1.01 -0.65 0.00 0.00 175.02 173.96 1p7k s HIS 35 N 1.33 3.36 -0.02 4.11 3.76 0.82 -1.21 115.29 127.43 1p7k s HIS 35 Ca 0.05 0.02 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 1p7k s HIS 35 Cb -0.13 -1.80 -0.00 0.00 1.11 0.00 0.00 32.58 31.76 1p7k s HIS 35 CO -0.11 0.20 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.29 1p7k s TRP 36 N -2.14 1.10 -0.01 1.40 0.52 -0.62 -0.17 118.94 119.01 1p7k s TRP 36 Ca 0.39 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.26 1p7k s TRP 36 Cb -0.09 -0.75 -0.00 0.00 -1.15 0.00 0.00 33.47 31.47 1p7k s TRP 36 CO 0.32 -0.09 -0.06 0.08 0.02 0.00 0.00 176.95 177.21 1p7k s VAL 37 N 0.05 0.52 -0.10 4.03 1.01 -0.40 -0.93 120.40 124.57 1p7k s VAL 37 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1p7k s VAL 37 Cb -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1p7k s VAL 37 CO 0.00 0.16 0.03 -0.75 0.00 0.00 0.00 175.10 174.55 1p7k s LYS 38 N -0.02 3.20 -0.13 2.72 2.20 0.51 -0.35 119.74 127.87 1p7k s LYS 38 Ca 0.01 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1p7k s LYS 38 Cb -0.04 -2.92 0.06 0.00 -1.51 0.00 0.00 37.83 33.42 1p7k s LYS 38 CO -0.00 0.66 0.13 -1.14 -0.36 0.00 0.00 175.35 174.63 1p7k s GLN 39 N -0.74 0.05 0.37 4.03 0.74 -0.06 -1.39 119.66 122.66 1p7k s GLN 39 Ca 0.12 0.23 -0.15 0.00 0.05 0.00 0.00 55.36 55.61 1p7k s GLN 39 Cb -0.12 -1.06 -0.08 0.00 1.10 0.00 0.00 33.01 32.85 1p7k s GLN 39 CO 0.02 -0.51 0.79 0.15 -0.55 0.00 0.00 175.29 175.19 1p7k s LYS 40 N 2.22 3.96 -0.20 1.67 1.02 -1.26 -1.45 119.74 125.70 1p7k s LYS 40 Ca 0.04 0.69 -0.41 0.00 0.02 0.00 0.00 55.97 56.31 1p7k s LYS 40 Cb -0.14 -2.37 -0.17 0.00 -0.52 0.00 0.00 37.83 34.63 1p7k s LYS 40 CO -0.08 0.04 1.53 -2.30 -0.92 0.00 0.00 175.35 173.63 1p7k n PRO 41 N -0.76 0.79 -0.95 -1.68 -0.02 -1.26 -0.50 135.00 130.62 1p7k n PRO 41 Ca 0.04 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1p7k n PRO 41 Cb 0.54 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1p7k n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p7k n GLY 42 N 3.41 0.23 1.58 -1.23 0.00 -1.26 -4.98 105.19 102.95 1p7k n GLY 42 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1p7k n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p7k n GLN 43 N -0.83 1.32 -0.04 1.61 6.02 0.34 -5.15 117.38 120.65 1p7k n GLN 43 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.47 1p7k n GLN 43 Cb 0.25 0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.81 1p7k n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p7k n GLY 44 N 2.31 -0.48 3.59 1.08 0.00 -1.26 -4.67 105.19 105.76 1p7k n GLY 44 Ca -0.05 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 1p7k n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p7k s LEU 45 N 0.00 3.24 -0.06 0.99 1.43 -1.26 -4.15 118.68 118.86 1p7k s LEU 45 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1p7k s LEU 45 Cb 0.00 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1p7k s LEU 45 CO 0.00 0.34 -0.03 -0.70 0.23 0.00 0.00 176.35 176.19 1p7k s GLU 46 N -0.67 0.81 0.04 1.70 2.12 -0.49 -4.99 118.70 117.22 1p7k s GLU 46 Ca 0.10 -0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.09 1p7k s GLU 46 Cb -0.11 -0.95 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 1p7k s GLU 46 CO 0.02 -0.18 1.03 -0.46 -0.54 0.00 0.00 175.26 175.13 1p7k s TRP 47 N 1.37 3.64 -0.20 5.30 -0.00 -1.26 -0.36 118.94 127.42 1p7k s TRP 47 Ca -0.04 1.63 -0.07 0.00 -0.00 0.00 0.00 56.10 57.63 1p7k s TRP 47 Cb -0.13 -3.18 -0.20 0.00 -0.00 0.00 0.00 33.47 29.96 1p7k s TRP 47 CO -0.03 -0.26 0.03 -0.89 -0.00 0.00 0.00 176.95 175.81 1p7k n ILE 48 N 3.61 1.61 -1.21 5.86 5.41 -0.11 -4.67 119.36 129.86 1p7k n ILE 48 Ca 0.06 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1p7k n ILE 48 Cb 0.49 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1p7k n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1p7k n GLY 49 N 1.91 -2.32 3.27 7.39 0.00 -1.23 -0.79 105.19 113.42 1p7k n GLY 49 Ca -0.40 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1p7k n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p7k s TYR 50 N -2.31 0.16 0.03 1.61 -0.85 -0.37 -1.60 117.35 114.03 1p7k s TYR 50 Ca 0.00 -0.55 0.05 0.00 -0.52 0.00 0.00 57.07 56.04 1p7k s TYR 50 Cb 0.00 0.00 -0.02 0.00 0.38 0.00 0.00 41.96 42.32 1p7k s TYR 50 CO 0.00 -0.63 -0.14 -1.50 -1.52 0.00 0.00 175.55 171.75 1p7k s ILE 51 N -3.88 1.14 -0.40 -3.49 2.07 -0.35 -2.30 121.20 113.99 1p7k s ILE 51 Ca 0.08 -0.96 -0.10 0.00 -1.41 0.00 0.00 60.65 58.26 1p7k s ILE 51 Cb 0.04 -1.02 0.06 0.00 0.13 0.00 0.00 42.46 41.66 1p7k s ILE 51 CO -0.08 0.05 0.24 0.21 -1.91 0.00 0.00 174.94 173.46 1p7k s ASN 52 N -1.05 5.67 0.50 4.50 3.84 0.37 -0.73 114.94 128.05 1p7k s ASN 52 Ca 0.02 -1.33 0.34 0.00 0.21 0.00 0.00 52.86 52.10 1p7k s ASN 52 Cb -0.08 -2.00 1.81 0.00 -0.55 0.00 0.00 41.25 40.44 1p7k s ASN 52 CO 0.01 -0.49 2.04 -0.65 -2.79 0.00 0.00 177.10 175.22 1p7k h PRO 52 N 8.42 0.00 -0.26 0.43 0.11 -1.85 0.23 132.00 139.08 1p7k h PRO 52 Ca -0.24 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.69 1p7k h PRO 52 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1p7k h PRO 52 CO 0.73 0.00 -0.56 -0.92 -0.21 0.00 0.00 178.00 177.04 1p7k h TYR 53 N 0.00 1.07 0.00 0.65 3.20 -1.89 -3.37 116.97 116.63 1p7k h TYR 53 Ca 0.00 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1p7k h TYR 53 Cb 0.04 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1p7k h TYR 53 CO 0.00 1.22 -0.08 0.27 -1.64 0.00 0.00 178.16 177.94 1p7k n ASN 54 N -4.03 1.07 -1.01 -2.11 0.23 -1.03 -5.01 115.26 103.37 1p7k n ASN 54 Ca -0.05 -1.83 -0.13 0.00 -0.53 0.00 0.00 54.58 52.04 1p7k n ASN 54 Cb 0.63 -0.10 -0.06 0.00 -2.08 0.00 0.00 39.78 38.18 1p7k n ASN 54 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1p7k n ASP 55 N -0.40 -5.67 -4.75 0.53 8.00 0.80 -4.95 116.55 110.10 1p7k n ASP 55 Ca 0.03 0.33 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 1p7k n ASP 55 Cb 0.47 -4.33 -0.03 0.00 -0.02 0.00 0.00 41.12 37.20 1p7k n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p7k s GLY 56 N -2.50 2.89 0.14 0.44 0.00 -1.20 -4.77 107.32 102.32 1p7k s GLY 56 Ca 0.00 1.01 0.05 0.00 0.00 0.00 0.00 44.72 45.78 1p7k s GLY 56 CO 0.00 1.74 -0.12 -0.51 0.00 0.00 0.00 173.10 174.21 1p7k s THR 57 N -0.74 1.27 -0.08 0.90 -4.23 -1.26 -0.48 115.64 111.02 1p7k s THR 57 Ca 0.49 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1p7k s THR 57 Cb -0.34 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 71.78 1p7k s THR 57 CO 0.42 -0.63 0.19 -0.54 -0.54 0.00 0.00 174.62 173.53 1p7k s LYS 58 N -3.37 0.18 0.09 3.99 -0.14 -0.97 -4.99 119.74 114.52 1p7k s LYS 58 Ca 0.14 0.37 0.09 0.00 -1.36 0.00 0.00 55.97 55.22 1p7k s LYS 58 Cb -0.00 -0.04 -0.03 0.00 -1.68 0.00 0.00 37.83 36.07 1p7k s LYS 58 CO 0.02 -0.11 -0.24 0.71 -0.76 0.00 0.00 175.35 174.97 1p7k s TYR 59 N 0.75 2.11 0.07 3.18 2.02 -1.26 -1.23 117.35 122.99 1p7k s TYR 59 Ca -0.05 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.94 1p7k s TYR 59 Cb -0.07 -1.20 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 1p7k s TYR 59 CO -0.04 0.21 1.28 1.21 -1.57 0.00 0.00 175.55 176.64 1p7k s ASN 60 N -1.66 6.97 0.48 2.29 3.84 0.03 -4.88 114.94 122.01 1p7k s ASN 60 Ca 0.11 2.13 0.19 0.00 0.21 0.00 0.00 52.86 55.50 1p7k s ASN 60 Cb -0.10 -2.58 1.20 0.00 -0.55 0.00 0.00 41.25 39.23 1p7k s ASN 60 CO 0.04 -0.56 1.97 -0.08 -2.79 0.00 0.00 177.10 175.68 1p7k h GLU 61 N 6.89 0.21 -0.00 0.43 4.22 -1.95 0.34 114.58 124.73 1p7k h GLU 61 Ca -0.41 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1p7k h GLU 61 Cb 1.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1p7k h GLU 61 CO 0.84 0.14 0.01 0.87 -2.18 0.00 0.00 179.01 178.69 1p7k h LYS 62 N 0.22 0.00 -0.39 1.92 1.57 -1.95 -1.50 116.57 116.45 1p7k h LYS 62 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1p7k h LYS 62 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1p7k h LYS 62 CO -0.05 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.02 1p7k n PHE 63 N -3.44 0.58 -1.67 -1.35 3.72 0.12 -4.93 117.46 110.48 1p7k n PHE 63 Ca -0.03 -0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 56.42 1p7k n PHE 63 Cb 0.08 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1p7k n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1p7k n LYS 64 N 0.58 2.87 0.00 -1.08 3.00 -0.57 -1.42 118.16 121.54 1p7k n LYS 64 Ca 0.14 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.50 1p7k n LYS 64 Cb 0.49 -2.99 0.00 0.00 0.00 0.00 0.00 35.03 32.53 1p7k n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p7k n GLY 65 N 4.44 3.27 0.11 3.14 0.00 -1.26 -4.83 105.19 110.07 1p7k n GLY 65 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 1p7k n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p7k n LYS 66 N -1.85 0.70 -4.43 1.61 4.81 -0.51 -4.97 118.16 113.52 1p7k n LYS 66 Ca 0.00 0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.18 1p7k n LYS 66 Cb 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.45 1p7k n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1p7k s ALA 67 N -2.49 3.18 -0.08 3.14 0.00 -0.85 -4.02 121.76 120.63 1p7k s ALA 67 Ca -0.24 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1p7k s ALA 67 Cb 0.08 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1p7k s ALA 67 CO 0.68 0.60 -0.03 0.99 0.00 0.00 0.00 175.76 177.99 1p7k s THR 68 N -0.92 0.64 -0.13 0.00 2.01 -0.34 -4.89 115.64 112.01 1p7k s THR 68 Ca 0.15 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1p7k s THR 68 Cb -0.11 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1p7k s THR 68 CO 0.04 0.30 0.01 -0.76 -0.69 0.00 0.00 174.62 173.52 1p7k s LEU 69 N 1.73 3.56 0.20 4.42 1.43 -1.26 -1.38 118.68 127.39 1p7k s LEU 69 Ca 0.03 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1p7k s LEU 69 Cb -0.13 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1p7k s LEU 69 CO -0.05 0.27 0.17 0.42 0.23 0.00 0.00 176.35 177.38 1p7k s THR 70 N -0.24 0.01 0.06 5.49 -4.23 -0.93 -5.01 115.64 110.80 1p7k s THR 70 Ca 0.06 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1p7k s THR 70 Cb -0.12 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.33 1p7k s THR 70 CO 0.02 -0.05 0.39 -0.94 -0.54 0.00 0.00 174.62 173.50 1p7k s SER 71 N -3.13 -0.24 -0.26 3.99 1.04 -1.26 -1.13 113.70 112.71 1p7k s SER 71 Ca 0.35 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1p7k s SER 71 Cb 0.06 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1p7k s SER 71 CO 0.11 -0.69 -0.03 -0.62 0.98 0.00 0.00 173.24 172.98 1p7k s ASP 72 N -2.19 4.06 0.31 7.02 2.15 0.06 -5.01 116.67 123.07 1p7k s ASP 72 Ca -0.03 -1.39 0.01 0.00 0.43 0.00 0.00 52.55 51.57 1p7k s ASP 72 Cb -0.00 -1.25 0.50 0.00 -0.30 0.00 0.00 42.92 41.87 1p7k s ASP 72 CO -0.05 -0.27 1.85 0.11 -0.17 0.00 0.00 175.17 176.64 1p7k h LYS 73 N 7.90 0.68 -0.77 4.34 1.57 -1.90 -1.25 116.57 127.15 1p7k h LYS 73 Ca -0.16 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1p7k h LYS 73 Cb 1.05 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1p7k h LYS 73 CO 0.44 0.65 0.50 0.66 -0.57 0.00 0.00 179.45 181.14 1p7k h SER 74 N 0.66 0.65 -0.29 0.86 4.64 -1.96 -2.39 113.55 115.72 1p7k h SER 74 Ca 0.14 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1p7k h SER 74 Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1p7k h SER 74 CO 0.00 0.40 0.00 -1.54 -0.87 0.00 0.00 176.83 174.82 1p7k n SER 75 N -4.50 2.76 -3.95 4.97 3.41 -1.11 -4.98 113.62 110.21 1p7k n SER 75 Ca 0.12 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.48 1p7k n SER 75 Cb 0.30 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1p7k n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1p7k n SER 76 N 0.37 -1.97 -4.24 4.04 7.64 -0.52 -4.71 113.62 114.23 1p7k n SER 76 Ca 0.10 -0.93 -0.30 0.00 1.01 0.00 0.00 58.87 58.75 1p7k n SER 76 Cb 0.39 -3.35 -0.16 0.00 -1.01 0.00 0.00 64.21 60.09 1p7k n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1p7k s THR 77 N -3.64 1.86 -0.01 0.44 2.01 -0.90 -0.90 115.64 114.50 1p7k s THR 77 Ca 0.28 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1p7k s THR 77 Cb -0.15 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1p7k s THR 77 CO 0.87 0.52 -0.07 0.00 -0.69 0.00 0.00 174.62 175.25 1p7k s ALA 78 N -0.29 2.99 0.09 7.40 0.00 -0.32 -0.76 121.76 130.87 1p7k s ALA 78 Ca 0.02 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1p7k s ALA 78 Cb -0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1p7k s ALA 78 CO 0.01 0.60 -0.18 0.71 0.00 0.00 0.00 175.76 176.91 1p7k s TYR 79 N -0.95 1.54 -0.05 0.00 2.02 -0.28 -0.61 117.35 119.02 1p7k s TYR 79 Ca 0.16 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1p7k s TYR 79 Cb -0.11 -0.85 0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1p7k s TYR 79 CO 0.06 0.14 -0.00 1.41 -1.57 0.00 0.00 175.55 175.59 1p7k s MET 80 N -1.84 0.51 -0.13 -0.62 -2.45 -0.48 -2.19 119.30 112.11 1p7k s MET 80 Ca 0.03 0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.53 1p7k s MET 80 Cb -0.10 -0.78 -0.02 0.00 1.25 0.00 0.00 34.83 35.17 1p7k s MET 80 CO 0.03 -0.22 -0.07 -2.00 1.05 0.00 0.00 175.02 173.82 1p7k s GLU 81 N 1.55 3.41 0.39 4.11 2.12 -0.48 -0.49 118.70 129.32 1p7k s GLU 81 Ca -0.02 -0.56 0.08 0.00 0.36 0.00 0.00 54.97 54.83 1p7k s GLU 81 Cb -0.13 -2.78 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 1p7k s GLU 81 CO -0.03 0.33 0.12 -0.51 -0.54 0.00 0.00 175.26 174.62 1p7k s LEU 82 N 0.10 3.07 0.00 2.70 1.43 -0.17 -1.20 118.68 124.62 1p7k s LEU 82 Ca -0.02 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1p7k s LEU 82 Cb -0.14 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1p7k s LEU 82 CO 0.03 -0.45 0.00 -1.20 0.23 0.00 0.00 176.35 174.97 1p7k n SER 82 N -1.13 0.00 -4.77 2.29 7.64 -1.17 -1.69 113.62 114.79 1p7k n SER 82 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.45 1p7k n SER 82 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1p7k n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1p7k s LEU 82 N -2.44 4.39 0.32 -3.43 1.43 -0.69 -4.61 118.68 113.65 1p7k s LEU 82 Ca 0.00 2.77 0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1p7k s LEU 82 Cb 0.00 -3.67 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1p7k s LEU 82 CO 0.00 -0.63 0.08 0.42 0.23 0.00 0.00 176.35 176.45 1p7k s THR 83 N -1.15 0.92 0.62 5.49 -4.23 -1.26 0.12 115.64 116.15 1p7k s THR 83 Ca 0.50 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.45 1p7k s THR 83 Cb -0.41 -2.68 0.44 0.00 1.34 0.00 0.00 72.50 71.19 1p7k s THR 83 CO 0.55 0.00 2.34 0.28 -0.54 0.00 0.00 174.62 177.25 1p7k h SER 84 N 2.13 0.00 0.62 3.99 0.02 -1.97 -0.40 113.55 117.94 1p7k h SER 84 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1p7k h SER 84 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1p7k h SER 84 CO 0.65 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 176.01 1p7k h GLU 85 N 0.00 0.00 -0.00 3.45 4.39 -1.95 -1.68 114.58 118.78 1p7k h GLU 85 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1p7k h GLU 85 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1p7k h GLU 85 CO 0.00 0.00 -0.24 -0.25 -1.16 0.00 0.00 179.01 177.36 1p7k n ASP 86 N -3.02 0.57 -4.68 1.42 10.43 -0.16 -4.85 116.55 116.26 1p7k n ASP 86 Ca -0.01 -0.45 -0.42 0.00 2.57 0.00 0.00 54.79 56.48 1p7k n ASP 86 Cb 0.21 0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.16 1p7k n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1p7k s SER 87 N -2.68 6.54 0.00 -2.24 0.01 -0.63 -4.87 113.70 109.83 1p7k s SER 87 Ca 0.21 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1p7k s SER 87 Cb 0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1p7k s SER 87 CO 0.55 -0.94 0.00 0.00 0.41 0.00 0.00 173.24 173.26 1p7k n ALA 88 N 5.95 0.00 -2.80 1.44 0.00 -0.76 -4.82 120.51 119.53 1p7k n ALA 88 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 1p7k n ALA 88 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 1p7k n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1p7k s VAL 89 N -2.15 4.90 -0.12 0.00 1.01 -0.53 -0.73 120.40 122.77 1p7k s VAL 89 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1p7k s VAL 89 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1p7k s VAL 89 CO 0.00 0.55 -0.22 -0.31 0.00 0.00 0.00 175.10 175.11 1p7k s TYR 90 N -0.38 2.58 -0.11 5.22 2.02 -0.08 -0.88 117.35 125.71 1p7k s TYR 90 Ca 0.09 -1.20 -0.03 0.00 -0.37 0.00 0.00 57.07 55.57 1p7k s TYR 90 Cb -0.12 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1p7k s TYR 90 CO 0.02 -0.53 -0.01 0.71 -1.57 0.00 0.00 175.55 174.17 1p7k s TYR 91 N 0.63 3.10 0.07 2.71 2.02 0.53 -0.69 117.35 125.71 1p7k s TYR 91 Ca -0.12 0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 56.44 1p7k s TYR 91 Cb -0.16 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1p7k s TYR 91 CO 0.02 0.27 0.50 0.00 -1.57 0.00 0.00 175.55 174.77 1p7k s VAL 93 N -1.22 -0.09 0.17 0.00 1.01 0.76 -1.32 120.40 119.72 1p7k s VAL 93 Ca 0.30 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1p7k s VAL 93 Cb -0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1p7k s VAL 93 CO 0.17 0.12 1.14 -0.60 0.00 0.00 0.00 175.10 175.93 1p7k s ARG 94 N 1.50 4.55 0.59 2.72 3.52 0.41 -0.12 118.95 132.12 1p7k s ARG 94 Ca -0.04 1.77 -0.12 0.00 -0.13 0.00 0.00 55.73 57.22 1p7k s ARG 94 Cb -0.12 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 1p7k s ARG 94 CO -0.04 0.00 1.01 0.20 -0.81 0.00 0.00 175.30 175.67 1p7k s GLY 95 N 0.03 1.72 0.65 8.12 0.00 -0.25 -1.25 107.32 116.33 1p7k s GLY 95 Ca 0.51 -0.07 -0.15 0.00 0.00 0.00 0.00 44.72 45.01 1p7k s GLY 95 CO 0.35 0.19 1.10 -0.32 0.00 0.00 0.00 173.10 174.42 1p7k s GLY 96 N -4.00 2.12 0.12 0.20 0.00 -0.58 -4.61 107.32 100.59 1p7k s GLY 96 Ca 0.55 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 45.50 1p7k s GLY 96 CO 0.50 0.84 1.62 -1.82 0.00 0.00 0.00 173.10 174.24 1p7k h TYR 97 N 0.05 -0.86 0.00 1.90 3.20 -1.93 -3.35 116.97 115.98 1p7k h TYR 97 Ca -0.47 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.28 1p7k h TYR 97 Cb 1.24 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.87 1p7k h TYR 97 CO 0.56 -0.41 -1.23 0.54 -1.64 0.00 0.00 178.16 175.98 1p7k n ARG 98 N -5.41 0.53 -2.58 1.82 5.12 -1.26 -5.01 116.66 109.86 1p7k n ARG 98 Ca -0.05 0.42 -0.29 0.00 -1.93 0.00 0.00 57.85 56.00 1p7k n ARG 98 Cb 0.32 -1.61 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1p7k n ARG 98 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1p7k s PRO 99 N -2.48 3.62 0.00 5.56 0.04 -1.26 -5.03 135.00 135.45 1p7k s PRO 99 Ca -0.26 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1p7k s PRO 99 Cb 0.06 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1p7k s PRO 99 CO 0.42 -0.21 0.00 0.66 0.04 0.00 0.00 177.00 177.91 1p7k n TYR 100 N -2.06 0.00 -3.32 0.56 0.53 -1.26 -2.86 117.16 108.75 1p7k n TYR 100 Ca 0.02 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.54 1p7k n TYR 100 Cb 0.55 -0.10 -0.06 0.00 -1.03 0.00 0.00 39.34 38.69 1p7k n TYR 100 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1p7k s ALA 100 N 0.00 3.57 -0.56 -0.72 0.00 -1.26 -4.98 121.76 117.82 1p7k s ALA 100 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 1p7k s ALA 100 Cb 0.00 -2.57 0.14 0.00 0.00 0.00 0.00 23.12 20.69 1p7k s ALA 100 CO 0.00 0.43 0.50 -1.64 0.00 0.00 0.00 175.76 175.06 1p7k s MET 100 N -1.75 2.98 0.03 0.00 -1.94 -1.26 -1.52 119.30 115.83 1p7k s MET 100 Ca 0.36 -1.78 0.23 0.00 -1.71 0.00 0.00 55.69 52.79 1p7k s MET 100 Cb -0.16 -4.26 0.14 0.00 2.01 0.00 0.00 34.83 32.55 1p7k s MET 100 CO 0.19 -1.31 1.12 -0.40 -0.01 0.00 0.00 175.02 174.61 1p7k n ASP 101 N 5.10 0.66 -3.53 3.03 5.75 -0.38 -4.77 116.55 122.40 1p7k n ASP 101 Ca -0.11 -0.37 -0.19 0.00 -0.01 0.00 0.00 54.79 54.10 1p7k n ASP 101 Cb 0.41 0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 41.02 1p7k n ASP 101 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1p7k s TYR 102 N -3.10 -0.20 -0.10 2.11 6.14 -1.16 -5.00 117.35 116.05 1p7k s TYR 102 Ca 0.07 0.18 -0.14 0.00 0.64 0.00 0.00 57.07 57.82 1p7k s TYR 102 Cb 0.16 -0.40 -0.05 0.00 0.42 0.00 0.00 41.96 42.09 1p7k s TYR 102 CO 0.78 -0.56 0.33 -1.58 0.64 0.00 0.00 175.55 175.17 1p7k s TRP 103 N 2.30 3.57 1.12 4.97 0.52 -1.26 -0.44 118.94 129.71 1p7k s TRP 103 Ca 0.06 0.75 -0.17 0.00 0.02 0.00 0.00 56.10 56.75 1p7k s TRP 103 Cb -0.15 -2.31 0.25 0.00 -1.15 0.00 0.00 33.47 30.11 1p7k s TRP 103 CO -0.11 0.41 1.14 0.20 0.02 0.00 0.00 176.95 178.61 1p7k s GLY 104 N -0.16 1.61 0.49 0.98 0.00 -0.43 -4.95 107.32 104.85 1p7k s GLY 104 Ca 0.20 -0.88 0.30 0.00 0.00 0.00 0.00 44.72 44.34 1p7k s GLY 104 CO 0.08 -0.07 1.86 1.46 0.00 0.00 0.00 173.10 176.43 1p7k h GLN 105 N -2.27 0.00 0.00 2.90 1.08 -1.87 -3.46 115.11 111.49 1p7k h GLN 105 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1p7k h GLN 105 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1p7k h GLN 105 CO 0.40 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.69 1p7k n GLY 106 N 0.35 1.16 3.31 3.46 0.00 -1.26 -5.01 105.19 107.18 1p7k n GLY 106 Ca 0.02 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1p7k n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p7k s THR 107 N -0.99 3.13 -0.05 2.61 2.01 0.13 -4.88 115.64 117.60 1p7k s THR 107 Ca 0.00 -0.59 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 1p7k s THR 107 Cb 0.00 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1p7k s THR 107 CO 0.00 0.47 0.91 -0.55 -0.69 0.00 0.00 174.62 174.76 1p7k s SER 108 N 1.11 7.22 -0.13 3.53 0.15 -1.26 -0.90 113.70 123.42 1p7k s SER 108 Ca 0.01 1.48 0.03 0.00 0.70 0.00 0.00 55.95 58.17 1p7k s SER 108 Cb -0.15 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1p7k s SER 108 CO -0.02 -0.28 -0.22 -0.69 1.20 0.00 0.00 173.24 173.23 1p7k s VAL 109 N 1.27 2.16 -0.16 4.45 1.01 0.09 -0.32 120.40 128.91 1p7k s VAL 109 Ca 0.47 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1p7k s VAL 109 Cb -0.19 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1p7k s VAL 109 CO 0.22 0.55 -0.16 -0.89 0.00 0.00 0.00 175.10 174.82 1p7k s THR 110 N 0.61 1.73 -0.30 3.92 2.01 0.56 -1.82 115.64 122.35 1p7k s THR 110 Ca -0.12 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 1p7k s THR 110 Cb -0.16 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1p7k s THR 110 CO 0.03 0.47 0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 1p7k s VAL 111 N 1.42 4.47 -0.08 3.82 1.01 -1.26 -1.15 120.40 128.64 1p7k s VAL 111 Ca 0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1p7k s VAL 111 Cb -0.13 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.06 1p7k s VAL 111 CO -0.11 0.10 0.68 -0.55 0.00 0.00 0.00 175.10 175.22 1p7k s SER 112 N 1.60 -0.67 0.00 3.32 0.15 0.04 -4.31 113.70 113.83 1p7k s SER 112 Ca 0.04 0.80 0.27 0.00 0.70 0.00 0.00 55.95 57.77 1p7k s SER 112 Cb -0.17 0.65 0.84 0.00 -1.71 0.00 0.00 66.02 65.63 1p7k s SER 112 CO 0.05 -0.57 1.62 -1.20 1.20 0.00 0.00 173.24 174.34 1p7k n SER 113 N 1.11 1.17 -4.74 5.45 7.64 -1.26 -3.86 113.62 119.12 1p7k n SER 113 Ca -0.18 -1.07 -0.35 0.00 1.01 0.00 0.00 58.87 58.28 1p7k n SER 113 Cb 0.57 0.09 0.06 0.00 -1.01 0.00 0.00 64.21 63.92 1p7k n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p7k s ALA 114 N -2.36 2.40 0.12 -0.43 0.00 -1.26 -5.05 121.76 115.18 1p7k s ALA 114 Ca 0.28 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.23 1p7k s ALA 114 Cb 0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1p7k s ALA 114 CO 0.47 -1.42 0.08 0.15 0.00 0.00 0.00 175.76 175.03 1p7k s LYS 115 N -3.58 2.78 -0.03 0.00 -0.14 -1.26 -5.04 119.74 112.46 1p7k s LYS 115 Ca 0.76 -0.81 -0.38 0.00 -1.36 0.00 0.00 55.97 54.17 1p7k s LYS 115 Cb -0.29 -2.63 -0.17 0.00 -1.68 0.00 0.00 37.83 33.05 1p7k s LYS 115 CO 0.38 0.52 1.42 2.41 -0.76 0.00 0.00 175.35 179.32 1p7k n THR 116 N 0.16 0.07 -3.69 2.17 -1.04 -1.26 -4.71 114.28 105.99 1p7k n THR 116 Ca -0.09 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 1p7k n THR 116 Cb 0.53 -0.83 -0.17 0.00 -1.82 0.00 0.00 70.33 68.04 1p7k n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1p7k s THR 117 N 1.26 -0.13 0.61 12.58 2.01 0.92 -4.93 115.64 127.96 1p7k s THR 117 Ca 0.89 0.38 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 1p7k s THR 117 Cb -1.03 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1p7k s THR 117 CO 0.53 0.16 1.08 -2.16 -0.69 0.00 0.00 174.62 173.55 1p7k s PRO 118 N 2.00 3.15 0.60 4.92 0.04 -1.26 -0.76 135.00 143.68 1p7k s PRO 118 Ca 0.02 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 1p7k s PRO 118 Cb -0.12 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1p7k s PRO 118 CO -0.04 -0.96 1.03 -1.25 0.04 0.00 0.00 177.00 175.82 1p7k s PRO 119 N -3.95 3.55 -0.18 0.56 0.04 -1.26 -4.49 135.00 129.28 1p7k s PRO 119 Ca 0.66 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 1p7k s PRO 119 Cb -0.19 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1p7k s PRO 119 CO 0.37 -0.60 0.24 -1.12 0.04 0.00 0.00 177.00 175.92 1p7k s SER 120 N -3.65 6.36 -0.22 6.66 0.01 -0.18 -4.91 113.70 117.77 1p7k s SER 120 Ca 0.58 0.41 -0.04 0.00 1.31 0.00 0.00 55.95 58.21 1p7k s SER 120 Cb -0.12 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1p7k s SER 120 CO 0.46 0.12 -0.04 -0.69 0.41 0.00 0.00 173.24 173.50 1p7k s VAL 121 N 0.45 3.42 -0.14 3.43 1.01 -1.26 -0.78 120.40 126.54 1p7k s VAL 121 Ca 0.14 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1p7k s VAL 121 Cb -0.12 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1p7k s VAL 121 CO 0.02 0.42 -0.20 -0.31 0.00 0.00 0.00 175.10 175.03 1p7k s TYR 122 N 1.47 2.70 0.20 5.22 1.51 0.32 -4.97 117.35 123.80 1p7k s TYR 122 Ca 0.06 -1.24 -0.30 0.00 -1.01 0.00 0.00 57.07 54.58 1p7k s TYR 122 Cb -0.14 -1.83 -0.08 0.00 -0.11 0.00 0.00 41.96 39.80 1p7k s TYR 122 CO -0.03 -0.56 1.05 -1.25 -1.11 0.00 0.00 175.55 173.65 1p7k s PRO 123 N 0.79 4.67 -0.32 -1.71 0.04 -1.26 -0.71 135.00 136.50 1p7k s PRO 123 Ca -0.07 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1p7k s PRO 123 Cb -0.16 -3.27 0.07 0.00 0.04 0.00 0.00 34.50 31.18 1p7k s PRO 123 CO -0.01 0.21 0.02 -0.51 0.04 0.00 0.00 177.00 176.74 1p7k s LEU 124 N -0.71 4.15 0.16 -3.56 1.43 0.23 -4.92 118.68 115.46 1p7k s LEU 124 Ca 0.46 -1.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.07 1p7k s LEU 124 Cb -0.29 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1p7k s LEU 124 CO 0.35 -0.31 0.13 0.00 0.23 0.00 0.00 176.35 176.75 1p7k s ALA 125 N 1.16 3.56 0.75 4.21 0.00 -1.26 -1.21 121.76 128.95 1p7k s ALA 125 Ca -0.02 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 1p7k s ALA 125 Cb -0.20 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1p7k s ALA 125 CO -0.03 0.52 1.22 -2.14 0.00 0.00 0.00 175.76 175.32 1p7k s PRO 126 N -3.04 2.03 0.70 0.00 0.02 -1.26 -4.94 135.00 128.51 1p7k s PRO 126 Ca 0.31 1.79 -0.16 0.00 0.02 0.00 0.00 61.00 62.96 1p7k s PRO 126 Cb -0.10 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.63 1p7k s PRO 126 CO 0.23 -1.93 1.22 0.20 -0.33 0.00 0.00 177.00 176.39 1p7k s GLY 127 N -2.00 2.47 0.53 0.52 0.00 -1.26 -4.56 107.32 103.02 1p7k s GLY 127 Ca 0.75 0.95 0.35 0.00 0.00 0.00 0.00 44.72 46.77 1p7k s GLY 127 CO 0.46 1.36 1.82 1.48 0.00 0.00 0.00 173.10 178.22 1p7k h SER 128 N -0.05 0.02 -3.42 1.64 4.64 -1.93 -2.74 113.55 111.72 1p7k h SER 128 Ca -0.48 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.11 1p7k h SER 128 Cb 1.30 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.06 1p7k h SER 128 CO 0.51 0.00 0.06 0.00 -0.87 0.00 0.00 176.83 176.53 1p7k s ALA 129 N -4.98 4.38 0.46 5.18 0.00 -1.26 -5.07 121.76 120.47 1p7k s ALA 129 Ca -0.05 -3.83 0.00 0.00 0.00 0.00 0.00 51.96 48.08 1p7k s ALA 129 Cb 0.23 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1p7k s ALA 129 CO 0.80 -2.16 0.00 0.00 0.00 0.00 0.00 175.76 174.40 1p7k n ALA 130 N 2.47 -1.78 0.00 0.00 0.00 -1.04 -5.17 120.51 114.99 1p7k n ALA 130 Ca 0.22 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1p7k n ALA 130 Cb 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1p7k n ALA 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1p7k n ASN 133 N -1.81 3.26 0.08 0.00 5.15 -1.26 0.00 115.26 120.69 1p7k n ASN 133 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1p7k n ASN 133 Cb 0.22 0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 39.53 1p7k n ASN 133 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1p7k h SER 134 N 0.00 0.12 -3.31 1.20 4.64 -2.00 -3.41 113.55 110.79 1p7k h SER 134 Ca 0.00 -0.11 -0.53 0.00 -0.47 0.00 0.00 61.79 60.68 1p7k h SER 134 Cb 0.76 -0.04 -0.17 0.00 -0.31 0.00 0.00 62.40 62.64 1p7k h SER 134 CO 0.00 0.99 -0.78 -0.04 -0.87 0.00 0.00 176.83 176.13 1p7k s MET 135 N -2.97 1.35 -0.00 4.77 -1.94 -1.26 -1.09 119.30 118.16 1p7k s MET 135 Ca -0.01 -1.49 0.03 0.00 -1.71 0.00 0.00 55.69 52.51 1p7k s MET 135 Cb 0.10 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.53 1p7k s MET 135 CO 0.82 0.28 -0.10 0.54 -0.01 0.00 0.00 175.02 176.55 1p7k s VAL 136 N -2.22 0.79 -0.13 -6.03 0.11 0.14 -4.67 120.40 108.39 1p7k s VAL 136 Ca 0.19 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1p7k s VAL 136 Cb -0.05 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1p7k s VAL 136 CO 0.08 0.18 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.09 1p7k s THR 137 N -0.33 3.83 0.33 5.04 2.01 -1.26 -1.07 115.64 124.19 1p7k s THR 137 Ca 0.03 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.73 1p7k s THR 137 Cb -0.04 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 1p7k s THR 137 CO -0.00 0.53 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.60 1p7k s LEU 138 N 0.02 2.70 0.30 4.42 1.43 -0.09 -4.64 118.68 122.81 1p7k s LEU 138 Ca 0.00 -1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 51.89 1p7k s LEU 138 Cb -0.13 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1p7k s LEU 138 CO 0.03 -0.21 0.37 -0.83 0.23 0.00 0.00 176.35 175.94 1p7k s GLY 139 N -3.58 1.50 -0.13 -3.19 0.00 -0.35 -1.21 107.32 100.35 1p7k s GLY 139 Ca 0.32 -1.56 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 1p7k s GLY 139 CO 0.16 -1.11 0.29 0.00 0.00 0.00 0.00 173.10 172.44 1p7k s LEU 141 N 1.78 3.51 -0.42 0.00 2.96 0.11 -1.34 118.68 125.29 1p7k s LEU 141 Ca -0.05 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1p7k s LEU 141 Cb -0.11 -1.91 0.11 0.00 0.50 0.00 0.00 46.19 44.78 1p7k s LEU 141 CO -0.09 0.05 0.21 -0.69 -1.32 0.00 0.00 176.35 174.51 1p7k s VAL 142 N 1.09 3.24 -0.02 1.68 1.01 0.25 -0.52 120.40 127.12 1p7k s VAL 142 Ca 0.04 -2.14 0.04 0.00 0.00 0.00 0.00 61.98 59.91 1p7k s VAL 142 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1p7k s VAL 142 CO 0.03 -0.70 -0.13 -0.75 0.00 0.00 0.00 175.10 173.55 1p7k s LYS 143 N 1.04 2.46 -1.16 2.72 2.20 0.04 -0.94 119.74 126.09 1p7k s LYS 143 Ca 0.09 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1p7k s LYS 143 Cb -0.22 -2.39 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1p7k s LYS 143 CO -0.04 0.61 0.93 0.41 -0.36 0.00 0.00 175.35 176.89 1p7k n GLY 144 N 2.02 -0.63 3.73 5.54 0.00 -0.27 -1.01 105.19 114.57 1p7k n GLY 144 Ca -0.17 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1p7k n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p7k s TYR 145 N -3.42 2.67 -0.28 1.61 1.13 -0.60 -4.59 117.35 113.88 1p7k s TYR 145 Ca 0.17 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.17 1p7k s TYR 145 Cb -0.03 -1.75 0.11 0.00 -1.10 0.00 0.00 41.96 39.19 1p7k s TYR 145 CO 0.75 0.28 0.88 0.12 -2.51 0.00 0.00 175.55 175.07 1p7k s PHE 146 N -2.48 -0.69 0.22 -3.49 5.36 0.06 -0.80 117.98 116.16 1p7k s PHE 146 Ca 0.39 1.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.91 1p7k s PHE 146 Cb -0.01 0.39 0.04 0.00 -0.34 0.00 0.00 43.02 43.11 1p7k s PHE 146 CO 0.23 -0.34 0.30 -0.35 -1.46 0.00 0.00 175.22 173.60 1p7k n PRO 147 N 3.09 0.65 -1.68 10.12 -0.04 -1.26 -0.05 135.00 145.82 1p7k n PRO 147 Ca -0.16 -1.00 -0.32 0.00 -0.04 0.00 0.00 63.50 61.98 1p7k n PRO 147 Cb 0.57 -0.15 0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1p7k n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p7k s GLU 148 N -3.08 2.89 0.30 0.54 0.41 -1.26 -4.78 118.70 113.72 1p7k s GLU 148 Ca 0.22 1.14 0.03 0.00 -0.41 0.00 0.00 54.97 55.95 1p7k s GLU 148 Cb -0.01 -1.98 0.03 0.00 -1.78 0.00 0.00 34.13 30.39 1p7k s GLU 148 CO 0.14 -1.15 0.23 -0.35 -0.49 0.00 0.00 175.26 173.64 1p7k n PRO 149 N -2.77 1.04 -4.15 0.39 -0.04 -1.26 -4.98 135.00 123.23 1p7k n PRO 149 Ca 0.09 -1.88 -0.14 0.00 -0.04 0.00 0.00 63.50 61.53 1p7k n PRO 149 Cb 0.53 0.19 -0.11 0.00 -0.04 0.00 0.00 33.50 34.07 1p7k n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1p7k s VAL 150 N -1.47 0.81 -0.09 0.52 -7.23 -1.26 -4.51 120.40 107.17 1p7k s VAL 150 Ca 0.18 -1.54 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1p7k s VAL 150 Cb -0.01 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 1p7k s VAL 150 CO 0.11 -0.56 -0.21 0.42 -0.31 0.00 0.00 175.10 174.56 1p7k s THR 151 N -2.34 2.37 -0.07 5.32 -4.23 -0.31 -4.95 115.64 111.43 1p7k s THR 151 Ca 0.03 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1p7k s THR 151 Cb -0.03 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 1p7k s THR 151 CO -0.01 0.56 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.71 1p7k s VAL 152 N 0.06 1.96 0.13 2.29 1.01 -1.26 -1.03 120.40 123.56 1p7k s VAL 152 Ca -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1p7k s VAL 152 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1p7k s VAL 152 CO 0.06 0.54 -0.05 0.42 0.00 0.00 0.00 175.10 176.07 1p7k s THR 153 N 0.04 0.79 -0.10 3.92 -4.23 -0.24 -4.99 115.64 110.83 1p7k s THR 153 Ca -0.09 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1p7k s THR 153 Cb -0.15 -1.86 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 1p7k s THR 153 CO 0.05 -0.72 -0.24 0.26 -0.54 0.00 0.00 174.62 173.43 1p7k s TRP 154 N -3.57 2.56 -1.52 3.99 0.52 -1.26 -0.44 118.94 119.21 1p7k s TRP 154 Ca 0.17 -0.98 -0.08 0.00 0.02 0.00 0.00 56.10 55.23 1p7k s TRP 154 Cb 0.05 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.73 1p7k s TRP 154 CO -0.01 -0.38 0.61 0.09 0.02 0.00 0.00 176.95 177.28 1p7k n ASN 155 N 3.44 -1.79 -2.24 2.95 4.13 0.30 -0.37 115.26 121.67 1p7k n ASN 155 Ca -0.19 -0.98 -0.15 0.00 1.68 0.00 0.00 54.58 54.94 1p7k n ASN 155 Cb 0.53 -3.07 -0.02 0.00 -1.54 0.00 0.00 39.78 35.68 1p7k n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1p7k n SER 156 N -2.86 -4.46 0.00 6.41 7.64 -1.26 -1.71 113.62 117.37 1p7k n SER 156 Ca -0.15 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1p7k n SER 156 Cb 0.61 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 1p7k n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p7k n GLY 157 N -0.76 3.18 0.30 0.23 0.00 0.50 -4.94 105.19 103.70 1p7k n GLY 157 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1p7k n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1p7k h SER 158 N 0.00 0.15 -3.64 1.61 4.64 -1.26 -3.35 113.55 111.70 1p7k h SER 158 Ca 0.00 -0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1p7k h SER 158 Cb 0.00 -0.03 -0.20 0.00 -0.31 0.00 0.00 62.40 61.86 1p7k h SER 158 CO 0.00 0.10 -0.46 -0.76 -0.87 0.00 0.00 176.83 174.84 1p7k s LEU 159 N -9.14 4.73 0.00 5.97 1.43 -1.08 -4.86 118.68 115.73 1p7k s LEU 159 Ca -0.06 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1p7k s LEU 159 Cb 0.18 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1p7k s LEU 159 CO 0.70 -0.31 0.00 -1.54 0.23 0.00 0.00 176.35 175.43 1p7k n SER 160 N 5.13 0.51 -0.06 2.29 3.41 -1.26 -4.17 113.62 119.47 1p7k n SER 160 Ca -0.12 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.52 1p7k n SER 160 Cb 0.49 0.01 0.38 0.00 -0.26 0.00 0.00 64.21 64.82 1p7k n SER 160 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1p7k h SER 161 N 0.00 0.57 -0.75 4.04 4.64 -1.93 -2.60 113.55 117.52 1p7k h SER 161 Ca 0.00 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.05 1p7k h SER 161 Cb 0.12 -0.14 -0.15 0.00 -0.31 0.00 0.00 62.40 61.92 1p7k h SER 161 CO 0.00 0.41 0.31 0.61 -0.87 0.00 0.00 176.83 177.29 1p7k n GLY 162 N -1.46 3.84 3.87 -0.77 0.00 -1.26 -4.96 105.19 104.44 1p7k n GLY 162 Ca 0.05 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1p7k n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p7k s VAL 163 N -3.05 5.44 -0.19 1.61 1.01 -0.98 -1.23 120.40 123.01 1p7k s VAL 163 Ca 0.55 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 1p7k s VAL 163 Cb 0.44 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 33.44 1p7k s VAL 163 CO 0.13 0.61 0.01 -1.00 0.00 0.00 0.00 175.10 174.85 1p7k s HIS 164 N -0.97 1.27 -0.22 5.22 3.76 0.26 -4.99 115.29 119.62 1p7k s HIS 164 Ca 0.16 -0.98 -0.04 0.00 -0.15 0.00 0.00 55.06 54.04 1p7k s HIS 164 Cb -0.13 -1.12 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 1p7k s HIS 164 CO 0.05 -0.62 -0.02 0.99 -0.85 0.00 0.00 174.74 174.28 1p7k s THR 165 N 1.78 3.55 0.29 1.30 2.01 -1.26 0.02 115.64 123.33 1p7k s THR 165 Ca -0.01 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 1p7k s THR 165 Cb -0.17 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.64 1p7k s THR 165 CO -0.07 0.41 0.64 -0.36 -0.69 0.00 0.00 174.62 174.54 1p7k s PHE 166 N 1.48 3.42 0.44 4.92 0.08 -0.50 -5.01 117.98 122.81 1p7k s PHE 166 Ca 0.06 0.98 -0.25 0.00 0.12 0.00 0.00 56.93 57.84 1p7k s PHE 166 Cb -0.14 -2.35 -0.09 0.00 -0.57 0.00 0.00 43.02 39.86 1p7k s PHE 166 CO -0.02 0.15 1.28 -2.30 -0.10 0.00 0.00 175.22 174.22 1p7k n PRO 167 N -0.48 1.90 -2.31 0.24 -0.02 -1.26 -4.46 135.00 128.61 1p7k n PRO 167 Ca 0.01 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 1p7k n PRO 167 Cb 0.53 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1p7k n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p7k s ALA 168 N -1.22 2.74 0.08 3.55 0.00 -1.26 -4.81 121.76 120.84 1p7k s ALA 168 Ca 0.62 0.72 0.09 0.00 0.00 0.00 0.00 51.96 53.39 1p7k s ALA 168 Cb -0.49 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1p7k s ALA 168 CO 0.57 -0.66 -0.21 0.08 0.00 0.00 0.00 175.76 175.54 1p7k s VAL 169 N -1.90 2.64 -0.17 0.00 1.01 -0.30 -4.92 120.40 116.77 1p7k s VAL 169 Ca 0.70 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1p7k s VAL 169 Cb -0.21 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1p7k s VAL 169 CO 0.26 0.21 0.22 -0.22 0.00 0.00 0.00 175.10 175.57 1p7k s LEU 170 N -1.78 4.24 -0.11 3.92 2.96 -1.26 -1.47 118.68 125.17 1p7k s LEU 170 Ca 0.15 0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1p7k s LEU 170 Cb -0.10 -2.24 0.06 0.00 0.50 0.00 0.00 46.19 44.40 1p7k s LEU 170 CO 0.07 0.15 0.16 -1.10 -1.32 0.00 0.00 176.35 174.31 1p7k s GLN 171 N 0.32 0.06 -1.27 1.98 1.11 0.13 -4.89 119.66 117.09 1p7k s GLN 171 Ca 0.13 0.41 -0.06 0.00 0.01 0.00 0.00 55.36 55.85 1p7k s GLN 171 Cb -0.12 -0.64 -0.01 0.00 -1.01 0.00 0.00 33.01 31.23 1p7k s GLN 171 CO 0.02 -0.42 0.67 0.43 0.01 0.00 0.00 175.29 176.00 1p7k n SER 172 N 5.32 -2.42 0.00 5.90 7.64 -1.26 -2.23 113.62 126.57 1p7k n SER 172 Ca -0.05 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1p7k n SER 172 Cb 0.50 -3.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 1p7k n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1p7k n ASP 173 N -2.95 0.00 -4.52 6.43 10.43 -1.26 -4.99 116.55 119.70 1p7k n ASP 173 Ca -0.23 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 56.86 1p7k n ASP 173 Cb 0.65 -0.49 -0.10 0.00 1.84 0.00 0.00 41.12 43.02 1p7k n ASP 173 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1p7k s LEU 174 N 0.00 2.79 0.17 0.64 1.43 -0.95 -4.81 118.68 117.95 1p7k s LEU 174 Ca 0.00 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1p7k s LEU 174 Cb 0.00 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.66 1p7k s LEU 174 CO 0.00 0.11 0.48 -0.31 0.23 0.00 0.00 176.35 176.87 1p7k s TYR 175 N -1.66 3.49 -0.03 0.29 2.02 0.02 -0.69 117.35 120.80 1p7k s TYR 175 Ca 0.23 0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 57.73 1p7k s TYR 175 Cb -0.09 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1p7k s TYR 175 CO 0.13 0.38 0.08 0.99 -1.57 0.00 0.00 175.55 175.55 1p7k s THR 176 N -1.65 -0.02 0.17 -0.71 2.01 -0.54 -1.12 115.64 113.78 1p7k s THR 176 Ca 0.42 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 1p7k s THR 176 Cb -0.12 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1p7k s THR 176 CO 0.21 0.03 0.14 -1.48 -0.69 0.00 0.00 174.62 172.82 1p7k s LEU 177 N 0.39 1.37 0.10 4.42 0.05 -0.12 -1.15 118.68 123.75 1p7k s LEU 177 Ca -0.03 -1.21 0.03 0.00 0.05 0.00 0.00 54.13 52.96 1p7k s LEU 177 Cb -0.04 0.53 -0.04 0.00 -2.05 0.00 0.00 46.19 44.58 1p7k s LEU 177 CO -0.01 -0.81 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.96 1p7k s SER 178 N -3.07 1.29 -0.02 1.48 1.04 -1.26 -0.59 113.70 112.56 1p7k s SER 178 Ca 0.28 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 1p7k s SER 178 Cb 0.06 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1p7k s SER 178 CO 0.06 -0.40 0.06 -0.55 0.98 0.00 0.00 173.24 173.38 1p7k s SER 179 N -2.93 -0.04 0.18 7.02 0.15 -0.45 -1.41 113.70 116.22 1p7k s SER 179 Ca 0.11 0.11 0.11 0.00 0.70 0.00 0.00 55.95 56.98 1p7k s SER 179 Cb 0.03 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1p7k s SER 179 CO -0.03 -0.05 -0.22 -0.94 1.20 0.00 0.00 173.24 173.20 1p7k s SER 180 N 0.29 3.54 -0.00 5.45 1.04 0.10 -1.15 113.70 122.97 1p7k s SER 180 Ca -0.02 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.61 1p7k s SER 180 Cb -0.03 -0.32 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1p7k s SER 180 CO -0.01 0.13 -0.03 0.54 0.98 0.00 0.00 173.24 174.85 1p7k s VAL 181 N -1.59 0.22 -0.13 5.02 0.11 -0.35 -0.57 120.40 123.12 1p7k s VAL 181 Ca 0.20 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1p7k s VAL 181 Cb -0.08 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1p7k s VAL 181 CO 0.10 0.05 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.83 1p7k s THR 182 N -0.11 2.39 0.17 5.04 2.01 -0.36 -0.91 115.64 123.87 1p7k s THR 182 Ca 0.01 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1p7k s THR 182 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1p7k s THR 182 CO -0.00 0.54 0.03 0.68 -0.69 0.00 0.00 174.62 175.18 1p7k s VAL 183 N 0.54 0.47 0.39 3.82 -7.23 -0.23 -4.59 120.40 113.56 1p7k s VAL 183 Ca -0.12 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 1p7k s VAL 183 Cb -0.17 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 1p7k s VAL 183 CO 0.04 -0.40 1.40 -2.84 -0.31 0.00 0.00 175.10 172.99 1p7k s PRO 184 N -3.98 4.01 0.56 4.82 0.02 -1.26 0.26 135.00 139.44 1p7k s PRO 184 Ca 0.26 2.38 0.31 0.00 0.02 0.00 0.00 61.00 63.97 1p7k s PRO 184 Cb 0.07 -2.86 1.67 0.00 0.02 0.00 0.00 34.50 33.40 1p7k s PRO 184 CO 0.05 -0.54 2.15 0.66 -0.33 0.00 0.00 177.00 178.99 1p7k h SER 185 N 2.82 0.00 0.78 2.53 4.64 -1.35 0.13 113.55 123.10 1p7k h SER 185 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1p7k h SER 185 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1p7k h SER 185 CO 0.63 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 1p7k n SER 186 N -3.58 0.35 -0.04 4.97 3.41 -1.26 -3.23 113.62 114.24 1p7k n SER 186 Ca -0.02 0.57 0.03 0.00 -0.26 0.00 0.00 58.87 59.19 1p7k n SER 186 Cb 0.18 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.33 1p7k n SER 186 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1p7k n THR 187 N -1.86 0.43 -4.64 6.66 -2.24 0.43 -4.70 114.28 108.36 1p7k n THR 187 Ca 0.04 -0.57 -0.23 0.00 -2.27 0.00 0.00 64.05 61.02 1p7k n THR 187 Cb 0.25 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.18 1p7k n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1p7k s TRP 188 N -3.06 1.31 -2.11 4.78 -0.00 -1.14 0.72 118.94 119.44 1p7k s TRP 188 Ca -0.08 -0.29 0.22 0.00 -0.00 0.00 0.00 56.10 55.95 1p7k s TRP 188 Cb 0.10 -0.87 1.15 0.00 -0.00 0.00 0.00 33.47 33.86 1p7k s TRP 188 CO 0.80 -0.07 1.76 -0.35 -0.00 0.00 0.00 176.95 179.09 1p7k n PRO 189 N 2.94 1.24 -0.12 5.86 -0.04 -1.26 -4.64 135.00 138.97 1p7k n PRO 189 Ca -0.16 -0.35 0.18 0.00 -0.04 0.00 0.00 63.50 63.13 1p7k n PRO 189 Cb 0.54 -1.37 0.57 0.00 -0.04 0.00 0.00 33.50 33.20 1p7k n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p7k h SER 190 N 0.75 0.26 -2.72 3.54 4.64 -1.83 -3.41 113.55 114.78 1p7k h SER 190 Ca 0.00 0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.71 1p7k h SER 190 Cb 0.16 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 62.06 1p7k h SER 190 CO 0.00 0.13 -0.77 -1.61 -0.87 0.00 0.00 176.83 173.72 1p7k s GLU 191 N -5.28 1.75 0.24 4.77 2.02 0.22 -5.09 118.70 117.33 1p7k s GLU 191 Ca -0.07 -1.55 -0.30 0.00 0.02 0.00 0.00 54.97 53.07 1p7k s GLU 191 Cb 0.21 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.44 1p7k s GLU 191 CO 0.76 0.38 1.06 0.99 0.02 0.00 0.00 175.26 178.47 1p7k s THR 192 N -2.03 3.75 -0.09 3.63 2.01 -1.26 -4.52 115.64 117.12 1p7k s THR 192 Ca 0.26 1.68 0.01 0.00 0.31 0.00 0.00 61.69 63.94 1p7k s THR 192 Cb -0.07 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1p7k s THR 192 CO 0.14 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.64 1p7k s VAL 193 N -0.87 1.10 -0.04 3.82 1.01 -1.26 -5.02 120.40 119.14 1p7k s VAL 193 Ca 0.45 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1p7k s VAL 193 Cb -0.30 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1p7k s VAL 193 CO 0.37 0.36 -0.16 -0.89 0.00 0.00 0.00 175.10 174.78 1p7k s THR 194 N 1.18 1.34 -0.17 3.92 2.01 -1.26 -0.36 115.64 122.31 1p7k s THR 194 Ca -0.05 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 1p7k s THR 194 Cb -0.14 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 1p7k s THR 194 CO -0.02 0.39 0.18 0.00 -0.69 0.00 0.00 174.62 174.48 1p7k s ASN 196 N 0.10 4.39 -0.08 0.00 -0.87 0.41 -0.86 114.94 118.03 1p7k s ASN 196 Ca 0.12 -0.36 0.05 0.00 -1.57 0.00 0.00 52.86 51.10 1p7k s ASN 196 Cb -0.12 -1.75 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 1p7k s ASN 196 CO 0.01 -0.01 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.61 1p7k s VAL 197 N 1.40 2.14 -0.03 1.60 1.01 0.11 -1.08 120.40 125.55 1p7k s VAL 197 Ca 0.05 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1p7k s VAL 197 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1p7k s VAL 197 CO -0.02 0.56 -0.21 0.00 0.00 0.00 0.00 175.10 175.43 1p7k s ALA 198 N 0.07 1.81 -0.44 5.51 0.00 -0.20 -0.60 121.76 127.91 1p7k s ALA 198 Ca -0.10 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1p7k s ALA 198 Cb -0.16 -0.50 0.15 0.00 0.00 0.00 0.00 23.12 22.62 1p7k s ALA 198 CO 0.06 0.41 0.30 -1.58 0.00 0.00 0.00 175.76 174.95 1p7k s HIS 199 N -0.37 1.56 0.44 0.00 2.46 -0.24 -1.16 115.29 117.99 1p7k s HIS 199 Ca 0.05 -2.31 0.19 0.00 0.47 0.00 0.00 55.06 53.45 1p7k s HIS 199 Cb -0.10 -1.40 1.14 0.00 -0.13 0.00 0.00 32.58 32.09 1p7k s HIS 199 CO 0.00 -0.78 1.89 -1.00 -2.47 0.00 0.00 174.74 172.39 1p7k h PRO 200 N 6.22 0.32 -0.50 2.88 0.13 -1.79 -2.30 132.00 136.96 1p7k h PRO 200 Ca 0.13 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1p7k h PRO 200 Cb 0.91 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1p7k h PRO 200 CO 0.42 0.21 0.34 0.00 -0.23 0.00 0.00 178.00 178.74 1p7k h ALA 201 N 1.63 1.87 -0.42 -0.56 0.00 -1.91 -1.03 119.26 118.84 1p7k h ALA 201 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1p7k h ALA 201 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1p7k h ALA 201 CO -0.12 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 1p7k n SER 202 N -4.48 3.22 -3.81 0.00 3.41 -0.91 -4.97 113.62 106.07 1p7k n SER 202 Ca 0.06 -1.93 -0.24 0.00 -0.26 0.00 0.00 58.87 56.50 1p7k n SER 202 Cb 0.22 -0.27 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1p7k n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1p7k n SER 203 N 1.08 -1.66 -4.36 4.04 7.64 -0.39 -4.98 113.62 114.98 1p7k n SER 203 Ca 0.16 -0.86 -0.31 0.00 1.01 0.00 0.00 58.87 58.87 1p7k n SER 203 Cb 0.51 -3.76 -0.15 0.00 -1.01 0.00 0.00 64.21 59.79 1p7k n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1p7k s THR 204 N -3.66 2.33 -0.03 0.44 2.01 -0.97 -5.01 115.64 110.74 1p7k s THR 204 Ca 0.14 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1p7k s THR 204 Cb -0.07 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.59 1p7k s THR 204 CO 0.84 0.51 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.72 1p7k s LYS 205 N -0.85 0.43 -0.02 4.92 1.02 -1.26 -1.07 119.74 122.90 1p7k s LYS 205 Ca 0.11 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.09 1p7k s LYS 205 Cb -0.10 -0.52 0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1p7k s LYS 205 CO 0.01 -0.06 -0.06 0.08 -0.92 0.00 0.00 175.35 174.40 1p7k s VAL 206 N 0.68 0.54 -0.13 3.17 1.01 0.24 -5.00 120.40 120.91 1p7k s VAL 206 Ca -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1p7k s VAL 206 Cb -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1p7k s VAL 206 CO -0.01 0.19 -0.20 -1.81 0.00 0.00 0.00 175.10 173.27 1p7k s ASP 207 N 0.33 3.34 -0.16 3.32 -0.00 -1.26 0.04 116.67 122.28 1p7k s ASP 207 Ca -0.04 -0.53 -0.00 0.00 -0.00 0.00 0.00 52.55 51.97 1p7k s ASP 207 Cb -0.08 -1.48 0.04 0.00 -0.00 0.00 0.00 42.92 41.39 1p7k s ASP 207 CO -0.00 0.11 -0.07 -0.54 -0.00 0.00 0.00 175.17 174.67 1p7k s LYS 208 N 0.66 1.60 0.30 8.23 -0.14 -0.04 -4.97 119.74 125.36 1p7k s LYS 208 Ca -0.10 -0.49 -0.28 0.00 -1.36 0.00 0.00 55.97 53.73 1p7k s LYS 208 Cb -0.16 -1.96 -0.09 0.00 -1.68 0.00 0.00 37.83 33.93 1p7k s LYS 208 CO 0.02 -0.38 1.06 0.21 -0.76 0.00 0.00 175.35 175.51 1p7k s LYS 209 N 1.61 4.58 -0.39 1.68 2.36 -1.26 -1.03 119.74 127.29 1p7k s LYS 209 Ca 0.02 1.69 -0.22 0.00 -2.55 0.00 0.00 55.97 54.91 1p7k s LYS 209 Cb -0.14 -3.07 0.01 0.00 -1.05 0.00 0.00 37.83 33.57 1p7k s LYS 209 CO -0.08 0.19 0.71 0.42 1.55 0.00 0.00 175.35 178.14 1p7k s ILE 210 N -1.27 4.78 -0.04 5.43 -1.09 0.52 -4.92 121.20 124.60 1p7k s ILE 210 Ca 0.47 0.59 0.04 0.00 -2.23 0.00 0.00 60.65 59.52 1p7k s ILE 210 Cb -0.29 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 1p7k s ILE 210 CO 0.37 -0.47 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.77 1p7k s VAL 211 N 2.96 2.98 0.42 2.92 1.01 -1.26 -4.65 120.40 124.79 1p7k s VAL 211 Ca 0.27 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1p7k s VAL 211 Cb -0.14 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 1p7k s VAL 211 CO 0.18 0.58 1.14 -2.65 0.00 0.00 0.00 175.10 174.35 1p7k n PRO 212 N 2.28 1.62 -2.16 2.72 -0.02 -1.26 -4.73 135.00 133.46 1p7k n PRO 212 Ca -0.17 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 1p7k n PRO 212 Cb 0.52 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1p7k n PRO 212 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1p7k s ARG 213 N -2.13 4.31 0.00 -0.52 0.52 -1.26 -4.86 118.95 115.01 1p7k s ARG 213 Ca 0.62 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 1p7k s ARG 213 Cb -0.53 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 31.70 1p7k s ARG 213 CO 0.57 -0.45 0.04 -0.25 0.02 0.00 0.00 175.30 175.24 1p7k n ASP 214 N 3.95 0.00 -0.23 0.23 8.00 -1.26 -4.86 116.55 122.38 1p7k n ASP 214 Ca 0.12 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.77 1p7k n ASP 214 Cb 0.42 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 42.27 1p7k n ASP 214 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81