#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cb0 h SER 9 N 0.00 0.00 0.43 9.51 4.64 -2.11 -3.15 113.55 122.87 3cb0 h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cb0 h SER 9 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cb0 h SER 9 CO 0.00 0.00 -1.04 -1.20 -0.87 0.00 0.00 176.83 173.72 3cb0 n SER 10 N -2.77 0.61 -4.81 4.97 7.64 -1.26 -4.97 113.62 113.04 3cb0 n SER 10 Ca 0.02 -0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.35 3cb0 n SER 10 Cb 0.31 0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 64.28 3cb0 n SER 10 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3cb0 s VAL 11 N -3.20 4.02 0.54 0.44 -7.23 -1.19 -5.02 120.40 108.75 3cb0 s VAL 11 Ca 0.04 1.21 -0.19 0.00 -1.81 0.00 0.00 61.98 61.22 3cb0 s VAL 11 Cb 0.14 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.52 3cb0 s VAL 11 CO 0.80 -0.32 1.11 -0.44 -0.31 0.00 0.00 175.10 175.94 3cb0 s SER 12 N -2.19 5.81 0.56 4.85 0.01 -1.26 -5.04 113.70 116.44 3cb0 s SER 12 Ca 0.65 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.84 3cb0 s SER 12 Cb -0.14 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 3cb0 s SER 12 CO 0.20 -1.15 1.03 0.42 0.41 0.00 0.00 173.24 174.16 3cb0 s THR 13 N -1.89 4.00 0.86 1.44 -4.23 -1.26 -5.05 115.64 109.52 3cb0 s THR 13 Ca 0.71 1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 62.11 3cb0 s THR 13 Cb -0.22 -3.48 0.11 0.00 1.34 0.00 0.00 72.50 70.25 3cb0 s THR 13 CO 0.27 -0.51 1.11 0.68 -0.54 0.00 0.00 174.62 175.62 3cb0 s VAL 14 N -2.43 2.73 0.37 2.29 -7.23 -1.26 -4.98 120.40 109.90 3cb0 s VAL 14 Ca 0.63 0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 60.76 3cb0 s VAL 14 Cb -0.14 -2.55 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 3cb0 s VAL 14 CO 0.33 -0.31 1.28 -1.61 -0.31 0.00 0.00 175.10 174.47 3cb0 s GLU 15 N -4.80 4.16 0.22 4.82 0.41 -1.26 -4.91 118.70 117.34 3cb0 s GLU 15 Ca 0.64 2.12 -0.07 0.00 -0.41 0.00 0.00 54.97 57.24 3cb0 s GLU 15 Cb -0.20 -2.88 0.34 0.00 -1.78 0.00 0.00 34.13 29.61 3cb0 s GLU 15 CO 0.57 -0.32 1.76 0.77 -0.49 0.00 0.00 175.26 177.55 3cb0 h SER 16 N 2.98 0.38 -0.05 -0.19 0.02 -1.99 -1.29 113.55 113.41 3cb0 h SER 16 Ca -0.49 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3cb0 h SER 16 Cb 1.24 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 3cb0 h SER 16 CO 0.64 0.21 0.03 0.50 -1.14 0.00 0.00 176.83 177.06 3cb0 h LYS 17 N 0.53 0.07 -0.78 3.45 1.63 -1.99 -0.05 116.57 119.44 3cb0 h LYS 17 Ca 0.35 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.18 3cb0 h LYS 17 Cb 0.41 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.98 3cb0 h LYS 17 CO -0.30 0.13 0.49 0.00 -3.45 0.00 0.00 179.45 176.32 3cb0 h ALA 18 N 0.94 1.03 -0.13 5.00 0.00 -1.88 -0.90 119.26 123.31 3cb0 h ALA 18 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cb0 h ALA 18 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3cb0 h ALA 18 CO -0.00 0.28 0.07 -0.92 0.00 0.00 0.00 179.25 178.68 3cb0 h TYR 19 N 0.94 0.18 -1.00 0.00 3.20 -0.99 -1.31 116.97 117.99 3cb0 h TYR 19 Ca 0.32 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.19 3cb0 h TYR 19 Cb 0.04 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 3cb0 h TYR 19 CO -0.03 0.19 0.67 0.00 -1.64 0.00 0.00 178.16 177.34 3cb0 h ARG 20 N 0.12 1.31 -0.62 1.82 3.08 -0.61 0.20 114.38 119.68 3cb0 h ARG 20 Ca 0.05 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3cb0 h ARG 20 Cb 0.07 -0.30 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3cb0 h ARG 20 CO -0.01 0.87 0.27 -0.44 -1.07 0.00 0.00 179.97 179.59 3cb0 h ASP 21 N 1.35 0.83 -0.60 7.04 3.32 -0.97 -1.74 116.42 125.66 3cb0 h ASP 21 Ca 0.37 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 3cb0 h ASP 21 Cb -0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3cb0 h ASP 21 CO -0.08 0.76 0.04 0.00 -1.72 0.00 0.00 179.24 178.23 3cb0 h ALA 22 N 1.11 0.91 0.00 3.45 0.00 -0.80 -2.60 119.26 121.32 3cb0 h ALA 22 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cb0 h ALA 22 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cb0 h ALA 22 CO -0.02 0.66 0.00 0.52 0.00 0.00 0.00 179.25 180.41 3cb0 h MET 23 N 0.96 0.00 0.00 0.00 2.86 -0.63 -1.39 114.93 116.74 3cb0 h MET 23 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3cb0 h MET 23 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3cb0 h MET 23 CO 0.02 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.86 3cb0 n SER 24 N -2.57 0.55 -0.65 1.22 3.41 -0.69 -1.67 113.62 113.23 3cb0 n SER 24 Ca 0.00 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 3cb0 n SER 24 Cb 0.19 -0.77 0.33 0.00 -0.26 0.00 0.00 64.21 63.69 3cb0 n SER 24 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3cb0 n HIS 25 N -2.14 0.00 -3.59 7.33 8.25 -0.52 -0.12 115.22 124.43 3cb0 n HIS 25 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 3cb0 n HIS 25 Cb 0.16 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 3cb0 n HIS 25 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3cb0 s TYR 26 N -2.06 3.36 0.61 4.41 6.04 -0.67 -4.94 117.35 124.10 3cb0 s TYR 26 Ca 0.32 -1.62 -0.18 0.00 0.04 0.00 0.00 57.07 55.64 3cb0 s TYR 26 Cb 0.20 -3.11 -0.03 0.00 -1.04 0.00 0.00 41.96 37.98 3cb0 s TYR 26 CO 0.35 -0.89 1.16 0.00 -1.54 0.00 0.00 175.55 174.63 3cb0 s ALA 27 N 1.41 2.53 -0.02 3.97 0.00 -1.26 -4.84 121.76 123.55 3cb0 s ALA 27 Ca 0.04 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3cb0 s ALA 27 Cb -0.24 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3cb0 s ALA 27 CO 0.01 -1.14 0.01 0.20 0.00 0.00 0.00 175.76 174.85 3cb0 s GLY 28 N -1.90 0.13 0.11 0.00 0.00 -0.15 -4.99 107.32 100.51 3cb0 s GLY 28 Ca 0.73 0.16 -0.31 0.00 0.00 0.00 0.00 44.72 45.31 3cb0 s GLY 28 CO 0.34 0.46 1.42 0.00 0.00 0.00 0.00 173.10 175.32 3cb0 s ALA 29 N 0.74 3.61 -0.09 3.20 0.00 -1.26 -0.60 121.76 127.36 3cb0 s ALA 29 Ca -0.07 1.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 3cb0 s ALA 29 Cb -0.10 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3cb0 s ALA 29 CO -0.02 -0.68 0.94 0.08 0.00 0.00 0.00 175.76 176.08 3cb0 s VAL 30 N 1.30 4.84 0.20 0.00 1.01 -0.36 -4.59 120.40 122.79 3cb0 s VAL 30 Ca 0.65 1.91 0.09 0.00 0.00 0.00 0.00 61.98 64.64 3cb0 s VAL 30 Cb -0.37 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 3cb0 s VAL 30 CO 0.30 0.06 -0.10 -1.10 0.00 0.00 0.00 175.10 174.26 3cb0 s GLN 31 N 1.73 2.02 -0.22 2.72 -1.52 -0.02 -1.34 119.66 123.03 3cb0 s GLN 31 Ca 0.46 -1.35 -0.02 0.00 -1.95 0.00 0.00 55.36 52.50 3cb0 s GLN 31 Cb -0.18 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 3cb0 s GLN 31 CO 0.19 0.41 -0.08 0.42 -0.25 0.00 0.00 175.29 175.98 3cb0 s ILE 32 N -1.85 3.01 -0.14 1.08 1.01 -0.14 -0.63 121.20 123.54 3cb0 s ILE 32 Ca 0.26 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 3cb0 s ILE 32 Cb -0.08 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3cb0 s ILE 32 CO 0.15 0.41 0.22 0.54 0.00 0.00 0.00 174.94 176.26 3cb0 s VAL 33 N 1.41 5.36 0.21 2.92 0.11 0.01 -1.10 120.40 129.32 3cb0 s VAL 33 Ca 0.05 0.38 0.04 0.00 -2.93 0.00 0.00 61.98 59.52 3cb0 s VAL 33 Cb -0.14 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 3cb0 s VAL 33 CO -0.06 0.50 -0.03 0.42 -3.33 0.00 0.00 175.10 172.61 3cb0 s THR 34 N -0.25 1.06 0.05 5.04 -4.23 0.29 -1.06 115.64 116.55 3cb0 s THR 34 Ca 0.15 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 3cb0 s THR 34 Cb -0.13 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.53 3cb0 s THR 34 CO 0.04 -0.43 0.38 0.28 -0.54 0.00 0.00 174.62 174.34 3cb0 s THR 35 N -3.40 0.06 0.01 3.99 -1.32 0.02 -0.79 115.64 114.21 3cb0 s THR 35 Ca 0.25 -0.53 -0.17 0.00 -1.21 0.00 0.00 61.69 60.03 3cb0 s THR 35 Cb 0.05 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 70.09 3cb0 s THR 35 CO 0.07 -0.29 0.38 0.00 -2.21 0.00 0.00 174.62 172.56 3cb0 s ALA 36 N -2.64 -0.94 0.00 11.08 0.00 -1.26 -1.90 121.76 126.10 3cb0 s ALA 36 Ca -0.04 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3cb0 s ALA 36 Cb -0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3cb0 s ALA 36 CO -0.04 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3cb0 n GLY 37 N 0.90 -0.04 0.30 0.00 0.00 -1.22 -4.57 105.19 100.55 3cb0 n GLY 37 Ca -0.20 -1.33 0.13 0.00 0.00 0.00 0.00 46.02 44.62 3cb0 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cb0 h ALA 38 N 0.00 1.74 -0.01 4.61 0.00 -1.92 -0.71 119.26 122.98 3cb0 h ALA 38 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cb0 h ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cb0 h ALA 38 CO 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 179.25 178.92 3cb0 n ALA 39 N -2.40 3.08 0.00 0.00 0.00 -1.26 -5.05 120.51 114.88 3cb0 n ALA 39 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3cb0 n ALA 39 Cb 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3cb0 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cb0 n GLY 40 N 1.36 0.94 3.70 0.00 0.00 -0.27 -4.95 105.19 105.97 3cb0 n GLY 40 Ca 0.11 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 3cb0 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cb0 s ARG 41 N -1.25 4.13 -0.02 1.61 3.52 -1.26 -3.46 118.95 122.23 3cb0 s ARG 41 Ca 0.00 -0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.30 3cb0 s ARG 41 Cb 0.00 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3cb0 s ARG 41 CO 0.00 0.27 0.11 0.50 -0.81 0.00 0.00 175.30 175.37 3cb0 s ARG 42 N 0.45 0.33 0.06 5.12 3.52 -0.80 -4.89 118.95 122.73 3cb0 s ARG 42 Ca 0.07 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 3cb0 s ARG 42 Cb -0.12 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 3cb0 s ARG 42 CO -0.01 -0.07 -0.06 0.20 -0.81 0.00 0.00 175.30 174.55 3cb0 s GLY 43 N -0.82 0.58 -0.07 8.12 0.00 -1.26 -0.80 107.32 113.08 3cb0 s GLY 43 Ca -0.09 -1.02 -0.21 0.00 0.00 0.00 0.00 44.72 43.40 3cb0 s GLY 43 CO 0.01 -1.10 0.47 0.48 0.00 0.00 0.00 173.10 172.95 3cb0 s LEU 44 N -2.28 0.20 0.16 0.66 2.34 -0.22 -4.95 118.68 114.59 3cb0 s LEU 44 Ca -0.00 0.50 -0.30 0.00 0.06 0.00 0.00 54.13 54.39 3cb0 s LEU 44 Cb -0.02 1.77 -0.07 0.00 -0.56 0.00 0.00 46.19 47.31 3cb0 s LEU 44 CO -0.03 -0.43 1.14 -0.89 -1.06 0.00 0.00 176.35 175.08 3cb0 s THR 45 N -0.91 3.80 -0.16 5.48 2.01 0.06 -0.81 115.64 125.12 3cb0 s THR 45 Ca -0.10 1.50 -0.13 0.00 0.31 0.00 0.00 61.69 63.28 3cb0 s THR 45 Cb -0.03 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.56 3cb0 s THR 45 CO 0.05 0.23 0.40 -0.22 -0.69 0.00 0.00 174.62 174.40 3cb0 s LEU 46 N -0.12 0.30 -0.00 4.42 0.20 0.20 -4.85 118.68 118.82 3cb0 s LEU 46 Ca 0.52 0.83 0.01 0.00 0.69 0.00 0.00 54.13 56.18 3cb0 s LEU 46 Cb -0.30 1.37 -0.01 0.00 -0.43 0.00 0.00 46.19 46.82 3cb0 s LEU 46 CO 0.35 -0.16 0.02 0.35 -0.29 0.00 0.00 176.35 176.62 3cb0 n THR 47 N 3.27 0.00 -2.43 3.68 -2.24 -1.26 -0.84 114.28 114.45 3cb0 n THR 47 Ca -0.16 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 3cb0 n THR 47 Cb 0.57 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3cb0 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cb0 n ALA 48 N -1.40 4.17 -2.94 6.98 0.00 -1.26 -4.78 120.51 121.28 3cb0 n ALA 48 Ca -0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 53.44 49.38 3cb0 n ALA 48 Cb 0.02 -3.47 -0.08 0.00 0.00 0.00 0.00 19.45 15.92 3cb0 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cb0 s ALA 49 N 3.35 -0.56 0.17 0.00 0.00 -1.26 -0.94 121.76 122.51 3cb0 s ALA 49 Ca 0.50 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 3cb0 s ALA 49 Cb 0.06 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.56 3cb0 s ALA 49 CO 0.02 -0.40 0.67 0.00 0.00 0.00 0.00 175.76 176.06 3cb0 s SER 51 N -2.76 7.17 -0.21 0.00 0.15 -1.26 -1.47 113.70 115.31 3cb0 s SER 51 Ca 0.04 2.03 -0.12 0.00 0.70 0.00 0.00 55.95 58.60 3cb0 s SER 51 Cb -0.02 -2.59 -0.19 0.00 -1.71 0.00 0.00 66.02 61.51 3cb0 s SER 51 CO -0.08 -0.36 0.03 0.52 1.20 0.00 0.00 173.24 174.55 3cb0 n VAL 52 N 3.27 1.59 -3.48 4.45 0.31 0.70 -4.93 118.33 120.23 3cb0 n VAL 52 Ca 0.06 -0.38 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 3cb0 n VAL 52 Cb 0.47 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 3cb0 n VAL 52 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3cb0 s SER 53 N -7.01 -0.52 0.00 4.52 1.04 -1.02 -4.98 113.70 105.74 3cb0 s SER 53 Ca -0.31 0.08 0.22 0.00 0.48 0.00 0.00 55.95 56.42 3cb0 s SER 53 Cb 0.09 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 3cb0 s SER 53 CO 0.61 -0.87 1.03 -0.90 0.98 0.00 0.00 173.24 174.09 3cb0 n ASP 54 N -0.08 1.10 -3.42 7.02 5.75 -1.26 -1.02 116.55 124.64 3cb0 n ASP 54 Ca -0.17 -0.97 -0.23 0.00 -0.01 0.00 0.00 54.79 53.41 3cb0 n ASP 54 Cb 0.63 0.77 -0.10 0.00 -1.03 0.00 0.00 41.12 41.39 3cb0 n ASP 54 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3cb0 s ASN 55 N -2.90 2.11 0.54 -1.12 2.47 -1.26 -2.70 114.94 112.09 3cb0 s ASN 55 Ca 0.11 -1.68 -0.17 0.00 0.42 0.00 0.00 52.86 51.55 3cb0 s ASN 55 Cb 0.17 0.12 -0.07 0.00 -1.45 0.00 0.00 41.25 40.02 3cb0 s ASN 55 CO 0.78 -0.31 1.01 -2.16 -3.72 0.00 0.00 177.10 172.70 3cb0 s PRO 56 N 1.47 3.75 -0.12 0.43 0.04 -1.26 -5.05 135.00 134.25 3cb0 s PRO 56 Ca 0.16 1.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.91 3cb0 s PRO 56 Cb -0.18 -2.10 -0.12 0.00 0.04 0.00 0.00 34.50 32.14 3cb0 s PRO 56 CO -0.08 -0.44 1.92 -2.30 0.04 0.00 0.00 177.00 176.13 3cb0 n PRO 57 N -1.68 2.05 -3.80 0.56 -0.02 -1.10 -4.60 135.00 126.41 3cb0 n PRO 57 Ca 0.07 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3cb0 n PRO 57 Cb 0.54 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 3cb0 n PRO 57 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3cb0 s THR 58 N 4.52 -0.04 0.06 3.45 2.01 -0.19 -1.09 115.64 124.37 3cb0 s THR 58 Ca 0.95 0.13 0.04 0.00 0.31 0.00 0.00 61.69 63.12 3cb0 s THR 58 Cb -0.70 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 3cb0 s THR 58 CO 0.51 0.05 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.88 3cb0 s ILE 59 N 0.69 0.84 0.19 1.82 2.07 -0.34 -0.22 121.20 126.25 3cb0 s ILE 59 Ca -0.06 -1.27 0.11 0.00 -1.41 0.00 0.00 60.65 58.03 3cb0 s ILE 59 Cb -0.08 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 3cb0 s ILE 59 CO -0.02 -0.35 -0.23 -1.48 -1.91 0.00 0.00 174.94 170.95 3cb0 s LEU 60 N -1.79 2.47 0.09 8.50 0.05 -0.54 0.06 118.68 127.52 3cb0 s LEU 60 Ca -0.04 -0.83 0.05 0.00 0.05 0.00 0.00 54.13 53.36 3cb0 s LEU 60 Cb -0.09 -1.22 -0.03 0.00 -2.05 0.00 0.00 46.19 42.80 3cb0 s LEU 60 CO 0.01 0.13 -0.13 0.27 -0.55 0.00 0.00 176.35 176.07 3cb0 s ILE 61 N -1.62 1.14 -0.20 1.48 -4.36 -0.30 -2.24 121.20 115.11 3cb0 s ILE 61 Ca 0.20 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 59.10 3cb0 s ILE 61 Cb -0.08 -1.26 0.01 0.00 1.25 0.00 0.00 42.46 42.38 3cb0 s ILE 61 CO 0.10 -0.35 -0.14 0.00 0.24 0.00 0.00 174.94 174.79 3cb0 s LEU 63 N 1.36 2.69 0.15 0.00 1.43 0.58 -4.79 118.68 120.11 3cb0 s LEU 63 Ca 0.05 -0.35 -0.34 0.00 -1.03 0.00 0.00 54.13 52.47 3cb0 s LEU 63 Cb -0.13 -1.61 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 3cb0 s LEU 63 CO -0.09 0.14 1.62 0.00 0.23 0.00 0.00 176.35 178.25 3cb0 n GLN 64 N 3.67 2.23 0.14 1.70 6.02 -1.26 -0.22 117.38 129.66 3cb0 n GLN 64 Ca -0.18 0.81 -0.01 0.00 -0.01 0.00 0.00 57.00 57.60 3cb0 n GLN 64 Cb 0.52 -2.59 0.17 0.00 1.02 0.00 0.00 30.24 29.37 3cb0 n GLN 64 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3cb0 h LYS 65 N 6.25 0.00 0.00 -1.09 1.57 -1.36 -3.26 116.57 118.67 3cb0 h LYS 65 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 3cb0 h LYS 65 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 3cb0 h LYS 65 CO 0.90 0.61 -0.08 0.97 -0.57 0.00 0.00 179.45 181.28 3cb0 h ILE 66 N 0.00 0.82 -2.76 1.86 2.10 -1.91 -3.30 117.51 114.32 3cb0 h ILE 66 Ca -0.01 -0.30 -0.69 0.00 1.08 0.00 0.00 64.86 64.95 3cb0 h ILE 66 Cb 1.10 1.17 -0.18 0.00 -1.09 0.00 0.00 36.82 37.82 3cb0 h ILE 66 CO 0.08 0.08 0.45 -1.00 -1.08 0.00 0.00 178.15 176.68 3cb0 s HIS 67 N -4.64 3.02 0.57 2.19 3.76 -1.23 -4.91 115.29 114.05 3cb0 s HIS 67 Ca -0.04 -1.08 0.26 0.00 -0.15 0.00 0.00 55.06 54.05 3cb0 s HIS 67 Cb 0.15 -4.15 1.65 0.00 1.11 0.00 0.00 32.58 31.34 3cb0 s HIS 67 CO 0.63 -1.42 2.18 0.93 -0.85 0.00 0.00 174.74 176.21 3cb0 h GLU 68 N 9.05 0.00 0.00 1.40 4.39 -1.86 -0.72 114.58 126.84 3cb0 h GLU 68 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3cb0 h GLU 68 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3cb0 h GLU 68 CO 1.09 0.00 0.00 0.93 -1.16 0.00 0.00 179.01 179.87 3cb0 h GLU 69 N 0.00 0.00 0.00 2.33 4.39 -1.91 -1.74 114.58 117.65 3cb0 h GLU 69 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3cb0 h GLU 69 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3cb0 h GLU 69 CO -0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 3cb0 n ASN 70 N -2.58 0.53 0.28 1.42 3.02 -0.28 -2.10 115.26 115.54 3cb0 n ASN 70 Ca -0.02 0.65 0.13 0.00 -0.03 0.00 0.00 54.58 55.31 3cb0 n ASN 70 Cb 0.07 -0.75 0.79 0.00 -0.61 0.00 0.00 39.78 39.28 3cb0 n ASN 70 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3cb0 h ARG 71 N 0.00 0.00 -0.95 3.52 2.47 -1.53 -2.79 114.38 115.10 3cb0 h ARG 71 Ca 0.00 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 3cb0 h ARG 71 Cb 0.28 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.52 3cb0 h ARG 71 CO 0.00 0.05 0.60 0.82 0.56 0.00 0.00 179.97 182.00 3cb0 h ILE 72 N 0.00 0.87 -0.60 2.04 2.04 -1.65 -0.03 117.51 120.17 3cb0 h ILE 72 Ca -0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3cb0 h ILE 72 Cb 0.11 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 3cb0 h ILE 72 CO 0.01 0.15 0.39 -0.26 0.00 0.00 0.00 178.15 178.43 3cb0 h PHE 73 N 0.83 0.77 -0.23 1.37 0.04 -1.72 -0.39 116.94 117.61 3cb0 h PHE 73 Ca 0.48 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.21 3cb0 h PHE 73 Cb 0.62 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3cb0 h PHE 73 CO -0.00 0.50 -0.02 0.82 -0.60 0.00 0.00 178.31 179.01 3cb0 h ILE 74 N 0.81 1.27 -0.55 -0.55 2.04 -1.36 -1.72 117.51 117.45 3cb0 h ILE 74 Ca 0.22 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3cb0 h ILE 74 Cb -0.07 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3cb0 h ILE 74 CO -0.05 0.29 0.28 -0.33 0.00 0.00 0.00 178.15 178.34 3cb0 h GLU 75 N 0.17 0.78 0.00 2.37 5.08 -0.90 -2.61 114.58 119.48 3cb0 h GLU 75 Ca 0.06 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3cb0 h GLU 75 Cb 0.44 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3cb0 h GLU 75 CO 0.02 0.63 -0.43 -0.91 -1.00 0.00 0.00 179.01 177.31 3cb0 h ASN 76 N 0.74 0.00 -0.39 1.42 2.35 -1.08 -3.47 115.58 115.15 3cb0 h ASN 76 Ca 0.19 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 3cb0 h ASN 76 Cb 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 3cb0 h ASN 76 CO -0.03 0.43 -0.15 0.61 -1.65 0.00 0.00 177.43 176.65 3cb0 n GLY 77 N 0.11 0.94 3.00 2.83 0.00 -0.65 -4.95 105.19 106.46 3cb0 n GLY 77 Ca -0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3cb0 n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cb0 s VAL 78 N -2.06 0.12 0.04 1.61 -7.23 -1.25 -0.79 120.40 110.84 3cb0 s VAL 78 Ca 0.00 -1.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.92 3cb0 s VAL 78 Cb 0.00 -0.44 0.05 0.00 0.56 0.00 0.00 36.38 36.56 3cb0 s VAL 78 CO 0.00 -0.56 0.52 0.72 -0.31 0.00 0.00 175.10 175.47 3cb0 s PHE 79 N -1.79 -0.42 -0.06 2.82 -0.12 -0.65 -4.66 117.98 113.10 3cb0 s PHE 79 Ca -0.13 0.50 0.06 0.00 -0.05 0.00 0.00 56.93 57.32 3cb0 s PHE 79 Cb -0.07 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 3cb0 s PHE 79 CO -0.02 -0.62 -0.24 0.00 -0.05 0.00 0.00 175.22 174.28 3cb0 s ALA 80 N -2.29 2.10 -0.27 1.99 0.00 0.03 -0.31 121.76 123.01 3cb0 s ALA 80 Ca -0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 3cb0 s ALA 80 Cb -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3cb0 s ALA 80 CO -0.00 0.41 0.15 0.42 0.00 0.00 0.00 175.76 176.73 3cb0 s ILE 81 N -0.15 4.95 -0.29 0.00 1.01 0.12 -0.55 121.20 126.29 3cb0 s ILE 81 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 3cb0 s ILE 81 Cb -0.13 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.99 3cb0 s ILE 81 CO 0.03 0.26 0.05 0.20 0.00 0.00 0.00 174.94 175.49 3cb0 s ASN 82 N 1.70 4.97 -0.20 3.58 0.01 -0.26 -0.79 114.94 123.97 3cb0 s ASN 82 Ca 0.07 -0.77 -0.28 0.00 -0.71 0.00 0.00 52.86 51.17 3cb0 s ASN 82 Cb -0.16 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.67 3cb0 s ASN 82 CO 0.08 -0.19 0.97 -0.89 -1.51 0.00 0.00 177.10 175.57 3cb0 s THR 83 N 1.46 4.75 0.26 1.60 2.01 0.48 -0.97 115.64 125.23 3cb0 s THR 83 Ca 0.02 1.91 -0.21 0.00 0.31 0.00 0.00 61.69 63.72 3cb0 s THR 83 Cb -0.17 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 3cb0 s THR 83 CO 0.01 -0.10 0.80 -0.76 -0.69 0.00 0.00 174.62 173.87 3cb0 s LEU 84 N 2.79 4.31 0.00 4.42 1.43 -0.45 -1.28 118.68 129.89 3cb0 s LEU 84 Ca 0.43 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 3cb0 s LEU 84 Cb -0.16 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.33 3cb0 s LEU 84 CO 0.09 -0.02 0.37 0.00 0.23 0.00 0.00 176.35 177.02 3cb0 n ALA 85 N 0.56 0.81 -0.34 4.21 0.00 -1.26 -1.67 120.51 122.82 3cb0 n ALA 85 Ca -0.00 -2.24 0.10 0.00 0.00 0.00 0.00 53.44 51.29 3cb0 n ALA 85 Cb 0.51 0.96 0.21 0.00 0.00 0.00 0.00 19.45 21.13 3cb0 n ALA 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cb0 h GLY 86 N 0.73 0.95 0.38 0.00 0.00 -1.56 -2.03 103.07 101.54 3cb0 h GLY 86 Ca -0.36 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3cb0 h GLY 86 CO 0.57 -0.43 0.00 -1.05 0.00 0.00 0.00 176.54 175.63 3cb0 n PRO 87 N -5.54 0.83 -0.66 4.80 -0.02 -1.26 -4.18 135.00 128.97 3cb0 n PRO 87 Ca 0.19 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.75 3cb0 n PRO 87 Cb 0.61 -1.19 0.33 0.00 -0.02 0.00 0.00 33.50 33.23 3cb0 n PRO 87 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3cb0 n HIS 88 N -0.69 1.50 -0.15 6.00 8.25 -0.76 -4.56 115.22 124.80 3cb0 n HIS 88 Ca 0.08 -0.75 -0.06 0.00 -0.26 0.00 0.00 57.72 56.73 3cb0 n HIS 88 Cb 0.04 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 30.80 3cb0 n HIS 88 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3cb0 h GLN 89 N 3.14 0.52 -0.72 -0.41 5.75 -1.80 -0.65 115.11 120.94 3cb0 h GLN 89 Ca 0.00 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3cb0 h GLN 89 Cb 1.64 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 30.02 3cb0 h GLN 89 CO 0.33 0.34 0.40 0.37 -2.65 0.00 0.00 178.83 177.62 3cb0 h GLN 90 N 0.53 0.69 -0.34 1.69 4.15 -1.95 -0.69 115.11 119.20 3cb0 h GLN 90 Ca 0.19 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.51 3cb0 h GLN 90 Cb 0.04 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3cb0 h GLN 90 CO -0.10 0.46 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.17 3cb0 h LEU 91 N 0.72 0.60 -0.73 -2.39 3.38 -1.78 -0.42 115.31 114.69 3cb0 h LEU 91 Ca 0.33 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3cb0 h LEU 91 Cb 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3cb0 h LEU 91 CO -0.20 0.78 0.43 0.00 0.09 0.00 0.00 178.44 179.53 3cb0 h ALA 92 N 0.85 1.00 -0.24 1.53 0.00 -0.74 -0.42 119.26 121.23 3cb0 h ALA 92 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3cb0 h ALA 92 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3cb0 h ALA 92 CO 0.02 0.13 0.06 -0.44 0.00 0.00 0.00 179.25 179.02 3cb0 h ASP 93 N 0.79 0.36 -0.34 0.00 3.32 -0.94 -1.46 116.42 118.16 3cb0 h ASP 93 Ca 0.33 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3cb0 h ASP 93 Cb 0.18 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3cb0 h ASP 93 CO -0.18 0.50 0.06 0.00 -1.72 0.00 0.00 179.24 177.90 3cb0 h ALA 94 N 0.88 0.35 -0.02 3.45 0.00 -0.69 -2.32 119.26 120.91 3cb0 h ALA 94 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3cb0 h ALA 94 Cb 0.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3cb0 h ALA 94 CO 0.00 -0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.09 3cb0 n PHE 95 N -5.10 0.02 1.06 0.00 3.72 -0.20 -2.44 117.46 114.51 3cb0 n PHE 95 Ca 0.01 -0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3cb0 n PHE 95 Cb 0.15 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.80 3cb0 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3cb0 n SER 96 N -0.45 2.20 0.00 4.37 3.41 -0.56 -0.76 113.62 121.84 3cb0 n SER 96 Ca 0.21 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 3cb0 n SER 96 Cb 0.21 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3cb0 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cb0 n GLY 97 N 1.37 0.65 0.31 5.00 0.00 -1.02 -4.95 105.19 106.55 3cb0 n GLY 97 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3cb0 n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cb0 h ARG 98 N 1.95 0.61 -0.09 1.61 2.43 -1.64 -3.12 114.38 116.13 3cb0 h ARG 98 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3cb0 h ARG 98 Cb 0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3cb0 h ARG 98 CO 0.00 0.45 -0.06 0.44 -1.51 0.00 0.00 179.97 179.29 3cb0 n ILE 99 N -4.42 2.07 -3.24 1.20 -5.35 -1.26 -5.06 119.36 103.29 3cb0 n ILE 99 Ca 0.03 -2.31 0.00 0.00 -0.27 0.00 0.00 62.75 60.21 3cb0 n ILE 99 Cb 0.10 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 3cb0 n ILE 99 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cb0 n GLY 100 N -1.16 2.38 0.53 3.28 0.00 -1.18 -5.03 105.19 104.01 3cb0 n GLY 100 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3cb0 n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cb0 n LEU 101 N 0.00 -0.55 -4.78 0.99 4.77 -1.26 -4.83 117.00 111.33 3cb0 n LEU 101 Ca 0.00 0.95 -0.30 0.00 -0.03 0.00 0.00 56.01 56.63 3cb0 n LEU 101 Cb 0.00 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 40.77 3cb0 n LEU 101 CO 0.00 -0.30 0.70 0.42 -1.33 0.00 0.00 177.39 176.88 3cb0 s THR 102 N -4.42 2.95 0.19 -5.08 -4.23 -1.26 -4.85 115.64 98.94 3cb0 s THR 102 Ca 0.00 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.69 3cb0 s THR 102 Cb 0.00 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.95 3cb0 s THR 102 CO 0.00 -0.40 1.74 1.56 -0.54 0.00 0.00 174.62 176.98 3cb0 h GLN 103 N -1.20 0.32 -0.67 3.99 1.08 -1.93 -0.99 115.11 115.71 3cb0 h GLN 103 Ca -0.48 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 56.77 3cb0 h GLN 103 Cb 1.27 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.57 3cb0 h GLN 103 CO 0.58 0.21 0.36 -0.44 -0.95 0.00 0.00 178.83 178.59 3cb0 h ASP 104 N 0.33 0.53 -0.13 1.46 3.32 -1.93 -1.38 116.42 118.62 3cb0 h ASP 104 Ca 0.25 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 3cb0 h ASP 104 Cb 0.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3cb0 h ASP 104 CO -0.27 0.33 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.16 3cb0 h GLU 105 N 0.66 0.45 -0.26 3.56 5.08 -1.76 -1.95 114.58 120.37 3cb0 h GLU 105 Ca 0.30 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3cb0 h GLU 105 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3cb0 h GLU 105 CO -0.20 0.55 -0.04 0.00 -1.00 0.00 0.00 179.01 178.32 3cb0 h ARG 106 N 0.42 0.49 -0.11 2.33 3.08 -0.41 -2.98 114.38 117.21 3cb0 h ARG 106 Ca 0.08 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3cb0 h ARG 106 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3cb0 h ARG 106 CO 0.02 0.69 -0.07 0.74 -1.07 0.00 0.00 179.97 180.28 3cb0 h PHE 107 N 0.24 0.15 0.00 3.04 0.04 -1.05 -2.65 116.94 116.72 3cb0 h PHE 107 Ca 0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3cb0 h PHE 107 Cb 0.50 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3cb0 h PHE 107 CO 0.05 0.23 0.00 0.93 -0.60 0.00 0.00 178.31 178.92 3cb0 h GLU 108 N 0.15 0.00 0.00 1.51 5.08 -1.19 -2.91 114.58 117.23 3cb0 h GLU 108 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3cb0 h GLU 108 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3cb0 h GLU 108 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 3cb0 n LEU 109 N -2.82 0.10 -4.09 1.33 4.77 -1.00 -4.85 117.00 110.44 3cb0 n LEU 109 Ca -0.02 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 3cb0 n LEU 109 Cb 0.08 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 3cb0 n LEU 109 CO 0.17 -0.13 0.04 0.00 -1.33 0.00 0.00 177.39 176.14 3cb0 s ALA 110 N -3.02 0.52 -0.13 -1.18 0.00 -1.10 -4.99 121.76 111.85 3cb0 s ALA 110 Ca 0.11 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 3cb0 s ALA 110 Cb 0.15 1.20 -0.04 0.00 0.00 0.00 0.00 23.12 24.42 3cb0 s ALA 110 CO 0.43 -0.75 0.40 0.00 0.00 0.00 0.00 175.76 175.84 3cb0 s ALA 111 N -3.78 3.52 0.21 0.00 0.00 -1.26 -4.99 121.76 115.46 3cb0 s ALA 111 Ca 0.30 -0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.08 3cb0 s ALA 111 Cb 0.02 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3cb0 s ALA 111 CO 0.14 0.04 -0.23 -1.58 0.00 0.00 0.00 175.76 174.13 3cb0 s TRP 112 N 0.55 2.32 0.00 0.00 0.52 -1.26 -2.29 118.94 118.78 3cb0 s TRP 112 Ca 0.22 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.99 3cb0 s TRP 112 Cb -0.14 -1.13 0.00 0.00 -1.15 0.00 0.00 33.47 31.05 3cb0 s TRP 112 CO 0.08 0.53 0.00 -0.85 0.02 0.00 0.00 176.95 176.73 3cb0 n GLU 113 N 0.12 0.68 -4.22 4.98 0.28 0.10 -4.90 120.64 117.68 3cb0 n GLU 113 Ca -0.11 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.76 3cb0 n GLU 113 Cb 0.57 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.33 3cb0 n GLU 113 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3cb0 s ILE 114 N -1.12 0.80 0.00 3.84 -4.36 -1.26 -0.40 121.20 118.69 3cb0 s ILE 114 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 3cb0 s ILE 114 Cb 0.00 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.79 3cb0 s ILE 114 CO 0.00 -0.66 0.00 0.18 0.24 0.00 0.00 174.94 174.70 3cb0 n LEU 115 N -0.17 0.00 -0.07 0.37 4.77 -1.26 -4.95 117.00 115.69 3cb0 n LEU 115 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3cb0 n LEU 115 Cb 0.62 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 3cb0 n LEU 115 CO 0.32 0.00 -0.96 0.00 -1.33 0.00 0.00 177.39 175.42 3cb0 n ALA 116 N -3.00 1.70 0.04 -1.18 0.00 -1.26 -4.79 120.51 112.02 3cb0 n ALA 116 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 53.44 52.92 3cb0 n ALA 116 Cb 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 3cb0 n ALA 116 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cb0 n THR 117 N -2.91 0.49 0.00 0.00 -2.24 -1.26 -4.96 114.28 103.40 3cb0 n THR 117 Ca -0.25 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3cb0 n THR 117 Cb 0.77 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3cb0 n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cb0 n GLY 118 N 1.27 1.18 3.74 3.38 0.00 -1.26 -4.97 105.19 108.54 3cb0 n GLY 118 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3cb0 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cb0 s ALA 119 N -2.33 3.78 0.15 4.61 0.00 -1.26 -4.52 121.76 122.19 3cb0 s ALA 119 Ca 0.00 1.56 -0.33 0.00 0.00 0.00 0.00 51.96 53.19 3cb0 s ALA 119 Cb 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 23.12 19.34 3cb0 s ALA 119 CO 0.00 -0.96 1.70 -2.30 0.00 0.00 0.00 175.76 174.21 3cb0 n PRO 120 N 2.61 2.49 -4.49 0.00 -0.02 -1.26 -4.53 135.00 129.80 3cb0 n PRO 120 Ca 0.10 0.90 -0.34 0.00 -2.02 0.00 0.00 63.50 62.14 3cb0 n PRO 120 Cb 0.37 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 30.99 3cb0 n PRO 120 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cb0 s VAL 121 N 1.62 3.41 -0.16 -1.45 1.01 0.46 -4.72 120.40 120.57 3cb0 s VAL 121 Ca 0.79 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 3cb0 s VAL 121 Cb -0.58 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3cb0 s VAL 121 CO 0.37 0.50 1.15 -0.22 0.00 0.00 0.00 175.10 176.90 3cb0 s LEU 122 N 0.55 4.18 0.11 3.92 2.96 -1.26 0.01 118.68 129.13 3cb0 s LEU 122 Ca -0.06 1.59 -0.31 0.00 -0.22 0.00 0.00 54.13 55.14 3cb0 s LEU 122 Cb -0.15 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 3cb0 s LEU 122 CO 0.03 -0.67 1.51 -0.54 -1.32 0.00 0.00 176.35 175.36 3cb0 s LYS 123 N 3.04 4.25 0.00 1.98 1.02 -0.97 -2.48 119.74 126.57 3cb0 s LYS 123 Ca 0.51 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.71 3cb0 s LYS 123 Cb -0.20 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3cb0 s LYS 123 CO 0.13 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 3cb0 n GLY 124 N 3.72 0.75 3.74 -3.33 0.00 -1.26 -4.88 105.19 103.93 3cb0 n GLY 124 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3cb0 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cb0 s ALA 125 N -2.58 2.56 0.33 4.61 0.00 -1.04 -4.79 121.76 120.85 3cb0 s ALA 125 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3cb0 s ALA 125 Cb 0.00 -3.52 0.56 0.00 0.00 0.00 0.00 23.12 20.15 3cb0 s ALA 125 CO 0.00 -1.38 1.99 1.25 0.00 0.00 0.00 175.76 177.63 3cb0 h LEU 126 N 0.94 0.82 -7.00 0.00 5.85 -1.44 -3.27 115.31 111.21 3cb0 h LEU 126 Ca -0.51 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.21 3cb0 h LEU 126 Cb 1.31 -0.20 -0.19 0.00 0.37 0.00 0.00 40.66 41.95 3cb0 h LEU 126 CO 0.55 0.59 0.35 0.00 -0.34 0.00 0.00 178.44 179.59 3cb0 s ALA 127 N -5.81 -1.80 -0.01 1.25 0.00 -1.25 -2.02 121.76 112.11 3cb0 s ALA 127 Ca -0.11 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3cb0 s ALA 127 Cb 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3cb0 s ALA 127 CO 0.78 -0.46 0.01 0.00 0.00 0.00 0.00 175.76 176.09 3cb0 s ALA 128 N -1.83 0.11 -0.25 0.00 0.00 -0.23 -0.39 121.76 119.17 3cb0 s ALA 128 Ca -0.04 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.08 3cb0 s ALA 128 Cb -0.00 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.02 3cb0 s ALA 128 CO 0.01 -0.05 -0.08 -0.06 0.00 0.00 0.00 175.76 175.58 3cb0 s PHE 129 N 0.58 2.84 -0.22 0.00 0.08 0.03 -1.77 117.98 119.52 3cb0 s PHE 129 Ca -0.05 -2.04 -0.13 0.00 0.12 0.00 0.00 56.93 54.82 3cb0 s PHE 129 Cb -0.07 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3cb0 s PHE 129 CO -0.01 -0.83 0.28 0.34 -0.10 0.00 0.00 175.22 174.90 3cb0 s ASP 130 N 1.24 6.29 0.06 1.36 2.15 0.06 -0.71 116.67 127.13 3cb0 s ASP 130 Ca -0.07 0.33 0.05 0.00 0.43 0.00 0.00 52.55 53.29 3cb0 s ASP 130 Cb -0.19 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 3cb0 s ASP 130 CO -0.06 -0.00 -0.14 0.00 -0.17 0.00 0.00 175.17 174.80 3cb0 s ARG 132 N -1.58 3.41 0.13 0.00 0.52 -0.49 -1.64 118.95 119.30 3cb0 s ARG 132 Ca -0.02 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 54.46 3cb0 s ARG 132 Cb -0.09 -2.92 -0.09 0.00 0.52 0.00 0.00 34.95 32.36 3cb0 s ARG 132 CO 0.02 0.48 1.51 0.08 0.02 0.00 0.00 175.30 177.40 3cb0 s VAL 133 N -0.25 2.94 -0.08 3.52 1.01 0.03 -1.00 120.40 126.57 3cb0 s VAL 133 Ca 0.06 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.71 3cb0 s VAL 133 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3cb0 s VAL 133 CO 0.02 0.04 0.09 1.33 0.00 0.00 0.00 175.10 176.58 3cb0 n VAL 134 N 4.05 0.00 -3.69 2.92 0.24 0.80 -4.89 118.33 117.76 3cb0 n VAL 134 Ca 0.13 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3cb0 n VAL 134 Cb 0.40 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 3cb0 n VAL 134 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3cb0 s SER 135 N -1.66 -0.59 -0.18 -1.34 0.15 -1.13 -4.97 113.70 103.98 3cb0 s SER 135 Ca 0.00 1.08 0.01 0.00 0.70 0.00 0.00 55.95 57.74 3cb0 s SER 135 Cb 0.02 1.05 0.03 0.00 -1.71 0.00 0.00 66.02 65.41 3cb0 s SER 135 CO 0.11 -0.19 -0.13 -0.69 1.20 0.00 0.00 173.24 173.54 3cb0 s VAL 136 N 0.64 1.67 0.02 4.45 1.01 -1.26 -1.00 120.40 125.93 3cb0 s VAL 136 Ca -0.03 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3cb0 s VAL 136 Cb -0.05 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3cb0 s VAL 136 CO -0.04 0.31 -0.19 -1.10 0.00 0.00 0.00 175.10 174.08 3cb0 s GLN 137 N 1.41 1.35 -0.32 2.72 -0.21 -0.03 -4.98 119.66 119.61 3cb0 s GLN 137 Ca 0.02 -0.81 -0.14 0.00 0.02 0.00 0.00 55.36 54.45 3cb0 s GLN 137 Cb -0.15 -1.39 -0.02 0.00 1.00 0.00 0.00 33.01 32.45 3cb0 s GLN 137 CO -0.10 0.36 0.30 0.34 -2.12 0.00 0.00 175.29 174.08 3cb0 s ASP 138 N -0.90 6.13 -0.53 5.90 2.15 -1.26 -0.09 116.67 128.07 3cb0 s ASP 138 Ca 0.06 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 52.91 3cb0 s ASP 138 Cb -0.08 -2.17 0.16 0.00 -0.30 0.00 0.00 42.92 40.53 3cb0 s ASP 138 CO 0.01 -0.24 0.36 -1.00 -0.17 0.00 0.00 175.17 174.14 3cb0 s HIS 139 N 1.90 2.27 0.00 -5.34 3.76 0.17 -4.98 115.29 113.06 3cb0 s HIS 139 Ca 0.10 -2.73 0.00 0.00 -0.15 0.00 0.00 55.06 52.28 3cb0 s HIS 139 Cb -0.17 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.66 3cb0 s HIS 139 CO 0.11 -0.71 0.00 0.43 -0.85 0.00 0.00 174.74 173.72 3cb0 n SER 140 N 2.75 0.00 -0.04 1.40 7.64 -1.26 -1.80 113.62 122.30 3cb0 n SER 140 Ca 0.20 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.19 3cb0 n SER 140 Cb 0.39 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.74 3cb0 n SER 140 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3cb0 n THR 141 N 0.00 0.00 -4.14 0.44 -2.24 -1.26 -4.95 114.28 102.12 3cb0 n THR 141 Ca 0.00 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 3cb0 n THR 141 Cb 0.00 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 3cb0 n THR 141 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cb0 s HIS 142 N -2.93 0.90 0.11 4.78 3.76 -0.74 -0.91 115.29 120.25 3cb0 s HIS 142 Ca 0.12 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.34 3cb0 s HIS 142 Cb 0.17 -0.53 -0.07 0.00 1.11 0.00 0.00 32.58 33.27 3cb0 s HIS 142 CO 0.73 -0.02 0.78 -1.01 -0.85 0.00 0.00 174.74 174.36 3cb0 s HIS 143 N -1.19 3.82 -0.25 1.40 0.09 0.70 -0.65 115.29 119.21 3cb0 s HIS 143 Ca -0.05 1.56 -0.05 0.00 -0.00 0.00 0.00 55.06 56.52 3cb0 s HIS 143 Cb -0.09 -2.80 0.00 0.00 -0.00 0.00 0.00 32.58 29.69 3cb0 s HIS 143 CO 0.01 0.39 0.01 0.08 -0.00 0.00 0.00 174.74 175.23 3cb0 s VAL 144 N -0.59 3.59 -0.20 -0.90 1.01 0.87 -0.31 120.40 123.88 3cb0 s VAL 144 Ca 0.37 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3cb0 s VAL 144 Cb -0.22 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3cb0 s VAL 144 CO 0.25 0.26 0.02 -0.76 0.00 0.00 0.00 175.10 174.86 3cb0 s LEU 145 N 1.47 3.36 -0.08 3.92 1.02 -0.12 -0.85 118.68 127.41 3cb0 s LEU 145 Ca 0.04 -0.16 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 3cb0 s LEU 145 Cb -0.16 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 3cb0 s LEU 145 CO -0.01 0.07 0.42 -0.36 0.02 0.00 0.00 176.35 176.49 3cb0 s PHE 146 N 0.95 3.59 -0.02 0.29 0.08 -0.17 -1.15 117.98 121.55 3cb0 s PHE 146 Ca 0.02 0.88 0.06 0.00 0.12 0.00 0.00 56.93 58.01 3cb0 s PHE 146 Cb -0.14 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 3cb0 s PHE 146 CO 0.02 0.38 -0.19 0.20 -0.10 0.00 0.00 175.22 175.53 3cb0 s GLY 147 N -0.11 0.96 -0.04 4.36 0.00 0.11 -0.14 107.32 112.45 3cb0 s GLY 147 Ca 0.23 -0.83 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 3cb0 s GLY 147 CO 0.10 -0.65 0.63 -1.83 0.00 0.00 0.00 173.10 171.36 3cb0 s GLU 148 N -0.38 4.38 -0.37 2.90 -1.05 -0.17 -1.19 118.70 122.82 3cb0 s GLU 148 Ca 0.06 0.78 -0.26 0.00 -0.15 0.00 0.00 54.97 55.39 3cb0 s GLU 148 Cb -0.08 -3.40 0.02 0.00 -0.44 0.00 0.00 34.13 30.22 3cb0 s GLU 148 CO -0.00 0.20 0.96 0.08 0.95 0.00 0.00 175.26 177.45 3cb0 s VAL 149 N 0.35 4.55 -0.45 1.83 1.01 -0.25 -1.40 120.40 126.05 3cb0 s VAL 149 Ca 0.33 1.28 0.08 0.00 0.00 0.00 0.00 61.98 63.67 3cb0 s VAL 149 Cb -0.18 -4.36 -0.08 0.00 0.00 0.00 0.00 36.38 31.76 3cb0 s VAL 149 CO 0.17 -0.56 0.38 1.33 0.00 0.00 0.00 175.10 176.43 3cb0 n VAL 150 N 6.01 0.00 -3.81 2.92 0.24 0.11 -4.83 118.33 118.97 3cb0 n VAL 150 Ca 0.08 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 3cb0 n VAL 150 Cb 0.48 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 3cb0 n VAL 150 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cb0 s GLY 151 N -1.72 -0.07 -0.09 7.63 0.00 -0.83 -4.78 107.32 107.46 3cb0 s GLY 151 Ca 0.04 0.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.87 3cb0 s GLY 151 CO 0.33 0.03 0.23 -2.27 0.00 0.00 0.00 173.10 171.42 3cb0 s LEU 152 N -1.09 1.12 0.05 0.66 2.96 -1.26 -0.76 118.68 120.36 3cb0 s LEU 152 Ca -0.12 0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 3cb0 s LEU 152 Cb -0.06 0.79 -0.02 0.00 0.50 0.00 0.00 46.19 47.40 3cb0 s LEU 152 CO 0.02 -0.08 0.06 -0.94 -1.32 0.00 0.00 176.35 174.09 3cb0 s SER 153 N 0.11 0.29 -0.01 3.68 1.04 -0.73 -4.98 113.70 113.10 3cb0 s SER 153 Ca -0.00 -0.74 -0.20 0.00 0.48 0.00 0.00 55.95 55.49 3cb0 s SER 153 Cb -0.02 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.37 3cb0 s SER 153 CO 0.00 -0.57 0.43 -0.94 0.98 0.00 0.00 173.24 173.14 3cb0 s SER 154 N -2.53 -0.34 0.01 7.02 1.04 -1.26 -1.06 113.70 116.58 3cb0 s SER 154 Ca 0.01 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.67 3cb0 s SER 154 Cb 0.03 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3cb0 s SER 154 CO -0.08 -0.54 -0.03 -1.00 0.98 0.00 0.00 173.24 172.58 3cb0 s HIS 155 N -1.55 0.22 -1.36 5.02 3.76 -0.86 -4.96 115.29 115.57 3cb0 s HIS 155 Ca -0.11 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 3cb0 s HIS 155 Cb -0.03 -0.15 0.07 0.00 1.11 0.00 0.00 32.58 33.58 3cb0 s HIS 155 CO 0.04 -0.11 1.94 0.00 -0.85 0.00 0.00 174.74 175.77 3cb0 n ALA 156 N 2.16 4.60 -2.17 -1.40 0.00 -1.26 -4.59 120.51 117.85 3cb0 n ALA 156 Ca -0.19 -3.93 -0.31 0.00 0.00 0.00 0.00 53.44 49.01 3cb0 n ALA 156 Cb 0.57 -3.49 -0.04 0.00 0.00 0.00 0.00 19.45 16.49 3cb0 n ALA 156 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cb0 s GLU 157 N 3.26 3.85 0.17 0.00 0.41 -1.26 -5.01 118.70 120.12 3cb0 s GLU 157 Ca 0.49 0.53 -0.02 0.00 -0.41 0.00 0.00 54.97 55.56 3cb0 s GLU 157 Cb 0.08 -2.41 0.04 0.00 -1.78 0.00 0.00 34.13 30.06 3cb0 s GLU 157 CO -0.01 0.03 1.42 0.93 -0.49 0.00 0.00 175.26 177.15 3cb0 h GLU 158 N 1.61 0.41 -4.98 1.61 5.08 -1.96 -3.45 114.58 112.89 3cb0 h GLU 158 Ca -0.47 -0.34 -0.37 0.00 -1.00 0.00 0.00 59.36 57.17 3cb0 h GLU 158 Cb 1.18 0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.28 3cb0 h GLU 158 CO 0.64 0.99 -0.77 -1.21 -1.00 0.00 0.00 179.01 177.66 3cb0 s GLU 159 N -3.58 0.72 -0.09 2.33 2.02 -1.26 -1.57 118.70 117.27 3cb0 s GLU 159 Ca -0.06 -0.76 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 3cb0 s GLU 159 Cb 0.10 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 3cb0 s GLU 159 CO 0.84 0.15 0.11 0.00 0.02 0.00 0.00 175.26 176.38 3cb0 s ALA 160 N -1.08 3.74 -0.17 5.21 0.00 0.62 -1.56 121.76 128.53 3cb0 s ALA 160 Ca -0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 3cb0 s ALA 160 Cb -0.09 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3cb0 s ALA 160 CO 0.01 0.63 0.67 -1.17 0.00 0.00 0.00 175.76 175.90 3cb0 s LEU 161 N -1.15 4.18 -0.02 0.00 2.96 -0.67 -1.02 118.68 122.97 3cb0 s LEU 161 Ca 0.17 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 3cb0 s LEU 161 Cb -0.12 -2.97 -0.00 0.00 0.50 0.00 0.00 46.19 43.60 3cb0 s LEU 161 CO 0.06 -0.26 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.09 3cb0 s ILE 162 N 1.72 0.91 -0.19 6.68 1.01 -0.24 -1.23 121.20 129.86 3cb0 s ILE 162 Ca 0.31 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 3cb0 s ILE 162 Cb -0.16 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3cb0 s ILE 162 CO 0.12 0.27 0.07 -0.47 0.00 0.00 0.00 174.94 174.93 3cb0 s TYR 163 N -0.07 3.25 -0.28 3.97 5.04 0.23 0.09 117.35 129.58 3cb0 s TYR 163 Ca 0.01 0.07 -0.21 0.00 -2.44 0.00 0.00 57.07 54.50 3cb0 s TYR 163 Cb -0.07 -2.11 0.09 0.00 0.35 0.00 0.00 41.96 40.23 3cb0 s TYR 163 CO 0.00 0.13 0.78 -1.17 -1.34 0.00 0.00 175.55 173.95 3cb0 s LEU 164 N 0.49 -0.75 -1.42 6.97 2.96 -0.60 -0.98 118.68 125.34 3cb0 s LEU 164 Ca 0.04 1.33 -0.10 0.00 -0.22 0.00 0.00 54.13 55.18 3cb0 s LEU 164 Cb -0.13 2.30 0.04 0.00 0.50 0.00 0.00 46.19 48.90 3cb0 s LEU 164 CO 0.01 -0.22 1.05 -3.20 -1.32 0.00 0.00 176.35 172.66 3cb0 n ASN 165 N 3.24 -4.96 -1.94 3.68 5.15 0.83 -2.47 115.26 118.80 3cb0 n ASN 165 Ca -0.16 -0.67 -0.18 0.00 -0.60 0.00 0.00 54.58 52.97 3cb0 n ASN 165 Cb 0.57 -4.47 -0.02 0.00 -0.53 0.00 0.00 39.78 35.32 3cb0 n ASN 165 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3cb0 n ARG 166 N -4.75 -1.42 -3.87 1.20 1.74 -1.26 -4.98 116.66 103.32 3cb0 n ARG 166 Ca -0.03 0.94 -0.09 0.00 -0.77 0.00 0.00 57.85 57.90 3cb0 n ARG 166 Cb 0.56 -5.40 -0.05 0.00 -1.02 0.00 0.00 32.46 26.55 3cb0 n ARG 166 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3cb0 s ARG 167 N -4.63 1.33 0.18 5.56 1.70 -1.03 -5.17 118.95 116.89 3cb0 s ARG 167 Ca 0.00 -1.05 -0.12 0.00 -0.47 0.00 0.00 55.73 54.08 3cb0 s ARG 167 Cb 0.00 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.77 3cb0 s ARG 167 CO 0.00 -0.54 0.55 0.71 -1.08 0.00 0.00 175.30 174.94 3cb0 s TYR 168 N -3.94 3.53 0.10 5.89 2.02 -1.26 -1.56 117.35 122.13 3cb0 s TYR 168 Ca 0.15 0.98 0.03 0.00 -0.37 0.00 0.00 57.07 57.86 3cb0 s TYR 168 Cb 0.01 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3cb0 s TYR 168 CO 0.01 0.37 -0.09 -1.01 -1.57 0.00 0.00 175.55 173.25 3cb0 s HIS 169 N -1.60 1.00 -0.16 2.71 3.76 0.11 -4.97 115.29 116.14 3cb0 s HIS 169 Ca 0.41 -0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 54.60 3cb0 s HIS 169 Cb -0.13 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 32.99 3cb0 s HIS 169 CO 0.20 -0.04 -0.10 0.15 -0.85 0.00 0.00 174.74 174.11 3cb0 s LYS 170 N -3.01 3.42 -0.17 1.40 1.02 -1.26 -1.08 119.74 120.07 3cb0 s LYS 170 Ca 0.07 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.42 3cb0 s LYS 170 Cb -0.01 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3cb0 s LYS 170 CO -0.01 0.12 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.17 3cb0 s LEU 171 N 0.62 2.18 0.18 3.17 2.96 -0.19 -4.92 118.68 122.69 3cb0 s LEU 171 Ca -0.06 -0.61 -0.31 0.00 -0.22 0.00 0.00 54.13 52.93 3cb0 s LEU 171 Cb -0.15 -1.49 -0.10 0.00 0.50 0.00 0.00 46.19 44.95 3cb0 s LEU 171 CO 0.03 0.03 1.51 -0.70 -1.32 0.00 0.00 176.35 175.89 3cb0 s GLU 172 N 1.15 4.24 0.00 1.98 2.12 -1.26 -0.27 118.70 126.65 3cb0 s GLU 172 Ca 0.01 2.31 0.16 0.00 0.36 0.00 0.00 54.97 57.81 3cb0 s GLU 172 Cb -0.14 -3.15 0.96 0.00 0.26 0.00 0.00 34.13 32.06 3cb0 s GLU 172 CO -0.09 -0.53 1.37 1.28 -0.54 0.00 0.00 175.26 176.75