#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cb0 s VAL 14 N 0.00 2.58 0.42 2.28 -7.23 -1.26 -4.99 120.40 112.21 3cb0 s VAL 14 Ca 0.00 0.19 -0.25 0.00 -1.81 0.00 0.00 61.98 60.11 3cb0 s VAL 14 Cb 0.00 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 3cb0 s VAL 14 CO 0.00 -0.25 1.19 -1.61 -0.31 0.00 0.00 175.10 174.12 3cb0 s GLU 15 N -4.83 3.93 0.20 4.82 0.41 -1.26 -4.92 118.70 117.05 3cb0 s GLU 15 Ca 0.64 1.87 -0.11 0.00 -0.41 0.00 0.00 54.97 56.97 3cb0 s GLU 15 Cb -0.19 -2.60 0.20 0.00 -1.78 0.00 0.00 34.13 29.75 3cb0 s GLU 15 CO 0.58 -0.43 1.79 0.77 -0.49 0.00 0.00 175.26 177.48 3cb0 h SER 16 N 2.44 0.45 -0.31 -0.19 0.02 -1.99 -1.82 113.55 112.15 3cb0 h SER 16 Ca -0.49 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 3cb0 h SER 16 Cb 1.24 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3cb0 h SER 16 CO 0.62 0.30 0.06 0.50 -1.14 0.00 0.00 176.83 177.17 3cb0 h LYS 17 N 0.59 0.50 -0.90 3.45 3.64 -1.99 -0.58 116.57 121.28 3cb0 h LYS 17 Ca 0.27 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3cb0 h LYS 17 Cb 0.17 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3cb0 h LYS 17 CO -0.18 0.59 0.58 0.00 -2.27 0.00 0.00 179.45 178.17 3cb0 h ALA 18 N 0.89 1.19 -0.14 5.00 0.00 -1.91 0.14 119.26 124.43 3cb0 h ALA 18 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3cb0 h ALA 18 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3cb0 h ALA 18 CO 0.00 0.42 0.07 -0.92 0.00 0.00 0.00 179.25 178.83 3cb0 h TYR 19 N 1.11 0.20 -0.75 0.00 3.20 -1.08 -1.21 116.97 118.44 3cb0 h TYR 19 Ca 0.36 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.24 3cb0 h TYR 19 Cb 0.03 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 3cb0 h TYR 19 CO -0.02 0.22 0.49 0.00 -1.64 0.00 0.00 178.16 177.22 3cb0 h ARG 20 N 0.11 0.97 -0.53 1.82 3.08 -0.58 0.26 114.38 119.51 3cb0 h ARG 20 Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3cb0 h ARG 20 Cb 0.10 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3cb0 h ARG 20 CO -0.01 0.64 0.32 -0.44 -1.07 0.00 0.00 179.97 179.41 3cb0 h ASP 21 N 1.00 0.64 -0.79 7.04 3.32 -0.83 -2.15 116.42 124.64 3cb0 h ASP 21 Ca 0.28 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3cb0 h ASP 21 Cb -0.08 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 3cb0 h ASP 21 CO -0.07 0.51 0.33 0.00 -1.72 0.00 0.00 179.24 178.29 3cb0 h ALA 22 N 1.15 1.02 0.00 3.45 0.00 -0.80 -2.49 119.26 121.60 3cb0 h ALA 22 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cb0 h ALA 22 Cb -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3cb0 h ALA 22 CO -0.04 0.64 0.00 0.52 0.00 0.00 0.00 179.25 180.37 3cb0 h MET 23 N 1.14 0.00 0.00 0.00 2.86 -0.52 -1.63 114.93 116.77 3cb0 h MET 23 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3cb0 h MET 23 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3cb0 h MET 23 CO -0.02 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.82 3cb0 n SER 24 N -2.63 0.13 -0.85 1.22 3.41 -0.85 -1.52 113.62 112.53 3cb0 n SER 24 Ca -0.00 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3cb0 n SER 24 Cb 0.17 -0.56 0.25 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.64 0.11 -3.60 7.33 8.25 -0.61 -0.20 115.22 124.86 3cb0 n HIS 25 Ca 0.03 -0.06 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 3cb0 n HIS 25 Cb 0.15 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.89 3.38 0.56 4.41 6.04 -0.58 -4.95 117.35 124.33 3cb0 s TYR 26 Ca 0.33 -1.70 -0.20 0.00 0.04 0.00 0.00 57.07 55.53 3cb0 s TYR 26 Cb 0.21 -3.16 -0.05 0.00 -1.04 0.00 0.00 41.96 37.92 3cb0 s TYR 26 CO 0.31 -0.91 1.22 0.00 -1.54 0.00 0.00 175.55 174.63 3cb0 s ALA 27 N 1.39 2.66 -0.02 3.97 0.00 -1.26 -4.85 121.76 123.64 3cb0 s ALA 27 Ca 0.04 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3cb0 s ALA 27 Cb -0.24 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.45 3cb0 s ALA 27 CO 0.01 -1.08 -0.01 0.20 0.00 0.00 0.00 175.76 174.87 3cb0 s GLY 28 N -1.48 0.24 0.02 0.00 0.00 -0.32 -4.99 107.32 100.80 3cb0 s GLY 28 Ca 0.74 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 3cb0 s GLY 28 CO 0.35 0.36 1.52 0.00 0.00 0.00 0.00 173.10 175.33 3cb0 s ALA 29 N 0.67 3.63 -0.03 3.20 0.00 -1.26 -0.67 121.76 127.30 3cb0 s ALA 29 Ca -0.07 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3cb0 s ALA 29 Cb -0.10 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3cb0 s ALA 29 CO -0.01 -1.04 1.12 0.08 0.00 0.00 0.00 175.76 175.91 3cb0 s VAL 30 N 2.66 4.43 0.19 0.00 1.01 -0.67 -4.58 120.40 123.44 3cb0 s VAL 30 Ca 0.68 1.74 0.11 0.00 0.00 0.00 0.00 61.98 64.51 3cb0 s VAL 30 Cb -0.35 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3cb0 s VAL 30 CO 0.29 0.06 -0.21 -1.10 0.00 0.00 0.00 175.10 174.13 3cb0 s GLN 31 N 1.66 1.62 -0.20 2.72 -1.52 -0.31 -1.36 119.66 122.26 3cb0 s GLN 31 Ca 0.54 -1.49 -0.01 0.00 -1.95 0.00 0.00 55.36 52.46 3cb0 s GLN 31 Cb -0.24 -1.90 0.01 0.00 -0.22 0.00 0.00 33.01 30.66 3cb0 s GLN 31 CO 0.24 0.40 -0.13 0.42 -0.25 0.00 0.00 175.29 175.98 3cb0 s ILE 32 N -1.70 2.63 -0.17 1.08 1.01 0.09 -1.07 121.20 123.08 3cb0 s ILE 32 Ca 0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 3cb0 s ILE 32 Cb -0.08 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3cb0 s ILE 32 CO 0.11 0.45 0.21 0.54 0.00 0.00 0.00 174.94 176.25 3cb0 s VAL 33 N 1.36 5.36 0.25 2.92 0.11 -0.28 -0.75 120.40 129.38 3cb0 s VAL 33 Ca 0.05 0.37 0.06 0.00 -2.93 0.00 0.00 61.98 59.52 3cb0 s VAL 33 Cb -0.14 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 3cb0 s VAL 33 CO -0.08 0.45 -0.07 0.42 -3.33 0.00 0.00 175.10 172.49 3cb0 s THR 34 N 0.17 1.53 0.07 5.04 -4.23 0.30 -1.27 115.64 117.26 3cb0 s THR 34 Ca 0.13 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.37 3cb0 s THR 34 Cb -0.12 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3cb0 s THR 34 CO 0.02 -0.38 0.34 0.28 -0.54 0.00 0.00 174.62 174.34 3cb0 s THR 35 N -3.09 0.08 0.07 3.99 -1.32 0.14 -0.76 115.64 114.75 3cb0 s THR 35 Ca 0.28 -0.68 -0.17 0.00 -1.21 0.00 0.00 61.69 59.90 3cb0 s THR 35 Cb 0.03 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.99 3cb0 s THR 35 CO 0.10 -0.38 0.40 0.00 -2.21 0.00 0.00 174.62 172.54 3cb0 s ALA 36 N -3.10 -0.96 0.00 11.08 0.00 -1.26 -1.88 121.76 125.65 3cb0 s ALA 36 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3cb0 s ALA 36 Cb 0.01 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3cb0 s ALA 36 CO -0.07 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3cb0 n GLY 37 N 0.27 0.15 0.29 0.00 0.00 -1.22 -4.60 105.19 100.08 3cb0 n GLY 37 Ca -0.18 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 1.80 -0.01 4.61 0.00 -1.93 -1.17 119.26 122.56 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 -0.08 -0.21 0.00 0.00 0.00 0.00 179.25 178.96 3cb0 n ALA 39 N -2.42 2.98 0.00 0.00 0.00 -1.26 -5.05 120.51 114.76 3cb0 n ALA 39 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3cb0 n ALA 39 Cb 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.31 0.78 3.70 0.00 0.00 -0.44 -4.95 105.19 105.59 3cb0 n GLY 40 Ca 0.13 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.15 4.05 -0.02 1.61 3.52 -1.26 -3.45 118.95 122.26 3cb0 s ARG 41 Ca 0.00 -0.27 -0.06 0.00 -0.13 0.00 0.00 55.73 55.27 3cb0 s ARG 41 Cb 0.00 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 3cb0 s ARG 41 CO 0.00 0.32 0.14 0.50 -0.81 0.00 0.00 175.30 175.45 3cb0 s ARG 42 N 0.28 0.36 0.07 5.12 3.52 -0.79 -4.94 118.95 122.58 3cb0 s ARG 42 Ca 0.06 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 3cb0 s ARG 42 Cb -0.12 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 3cb0 s ARG 42 CO -0.01 -0.08 -0.05 0.20 -0.81 0.00 0.00 175.30 174.56 3cb0 s GLY 43 N -0.82 0.61 -0.12 8.12 0.00 -1.26 -0.68 107.32 113.17 3cb0 s GLY 43 Ca -0.09 -1.25 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 3cb0 s GLY 43 CO 0.01 -1.35 0.80 0.48 0.00 0.00 0.00 173.10 173.03 3cb0 s LEU 44 N -2.89 -0.58 0.12 0.66 0.05 -0.40 -4.97 118.68 110.67 3cb0 s LEU 44 Ca 0.08 0.74 -0.30 0.00 0.05 0.00 0.00 54.13 54.70 3cb0 s LEU 44 Cb 0.06 2.30 -0.06 0.00 -2.05 0.00 0.00 46.19 46.43 3cb0 s LEU 44 CO -0.07 -0.46 1.06 -0.89 -0.55 0.00 0.00 176.35 175.44 3cb0 s THR 45 N -0.87 4.21 0.12 5.48 2.01 -0.09 -1.13 115.64 125.38 3cb0 s THR 45 Ca -0.06 1.79 -0.17 0.00 0.31 0.00 0.00 61.69 63.56 3cb0 s THR 45 Cb -0.01 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.39 3cb0 s THR 45 CO 0.05 0.25 0.41 -1.48 -0.69 0.00 0.00 174.62 173.17 3cb0 s LEU 46 N 0.12 0.34 0.00 4.42 0.05 -0.23 -4.82 118.68 118.56 3cb0 s LEU 46 Ca 0.50 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 54.39 3cb0 s LEU 46 Cb -0.26 1.88 0.00 0.00 -2.05 0.00 0.00 46.19 45.76 3cb0 s LEU 46 CO 0.32 -0.85 0.00 0.35 -0.55 0.00 0.00 176.35 175.61 3cb0 n THR 47 N -0.21 0.00 -1.91 5.48 -2.24 -1.26 -1.17 114.28 112.97 3cb0 n THR 47 Ca -0.16 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 3cb0 n THR 47 Cb 0.64 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.02 5.41 -2.95 6.98 0.00 -1.26 -4.81 120.51 122.86 3cb0 n ALA 48 Ca 0.00 -3.98 -0.11 0.00 0.00 0.00 0.00 53.44 49.35 3cb0 n ALA 48 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 19.45 15.96 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 2.61 -0.59 0.17 0.00 0.00 -1.26 -1.38 121.76 121.31 3cb0 s ALA 49 Ca 0.46 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 3cb0 s ALA 49 Cb 0.12 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.63 3cb0 s ALA 49 CO -0.06 -0.41 0.69 0.00 0.00 0.00 0.00 175.76 175.98 3cb0 s SER 51 N -2.78 7.14 -0.25 0.00 0.15 -1.26 -1.81 113.70 114.89 3cb0 s SER 51 Ca 0.05 2.04 -0.08 0.00 0.70 0.00 0.00 55.95 58.66 3cb0 s SER 51 Cb -0.02 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.54 3cb0 s SER 51 CO -0.06 -0.39 -0.18 0.52 1.20 0.00 0.00 173.24 174.33 3cb0 n VAL 52 N 3.36 1.54 -3.72 4.45 0.31 0.30 -4.93 118.33 119.64 3cb0 n VAL 52 Ca 0.07 -0.44 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 3cb0 n VAL 52 Cb 0.46 -1.72 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 3cb0 n VAL 52 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3cb0 s SER 53 N -7.04 -0.17 0.00 4.52 0.15 -1.10 -4.98 113.70 105.09 3cb0 s SER 53 Ca -0.35 -0.17 0.19 0.00 0.70 0.00 0.00 55.95 56.32 3cb0 s SER 53 Cb 0.11 0.39 0.17 0.00 -1.71 0.00 0.00 66.02 64.98 3cb0 s SER 53 CO 0.57 -0.66 1.12 -0.90 1.20 0.00 0.00 173.24 174.57 3cb0 n ASP 54 N 0.45 2.64 -3.28 5.45 5.75 -1.26 -0.96 116.55 125.34 3cb0 n ASP 54 Ca -0.18 -1.81 -0.15 0.00 -0.01 0.00 0.00 54.79 52.64 3cb0 n ASP 54 Cb 0.60 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 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 -1.57 0.64 0.45 -1.12 2.47 -1.26 -3.05 114.94 111.50 3cb0 s ASN 55 Ca 0.23 -1.77 -0.21 0.00 0.42 0.00 0.00 52.86 51.54 3cb0 s ASN 55 Cb 0.16 0.71 -0.10 0.00 -1.45 0.00 0.00 41.25 40.57 3cb0 s ASN 55 CO 0.24 -0.21 0.98 -2.16 -3.72 0.00 0.00 177.10 172.24 3cb0 s PRO 56 N 1.18 4.06 -0.25 0.43 0.04 -1.26 -5.06 135.00 134.14 3cb0 s PRO 56 Ca 0.21 1.21 -0.39 0.00 0.04 0.00 0.00 61.00 62.07 3cb0 s PRO 56 Cb -0.10 -2.15 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 3cb0 s PRO 56 CO -0.05 -0.19 1.82 -2.30 0.04 0.00 0.00 177.00 176.32 3cb0 n PRO 57 N -0.78 1.36 -3.85 0.56 -0.02 -1.17 -4.58 135.00 126.51 3cb0 n PRO 57 Ca 0.08 0.49 -0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3cb0 n PRO 57 Cb 0.53 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.03 0.03 0.04 3.45 2.01 -0.14 -1.14 115.64 123.92 3cb0 s THR 58 Ca 0.98 0.09 0.06 0.00 0.31 0.00 0.00 61.69 63.14 3cb0 s THR 58 Cb -0.98 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 3cb0 s THR 58 CO 0.62 0.07 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.81 3cb0 s ILE 59 N 0.61 1.40 0.11 1.82 1.01 -0.01 -0.54 121.20 125.61 3cb0 s ILE 59 Ca -0.05 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 59.60 3cb0 s ILE 59 Cb -0.08 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3cb0 s ILE 59 CO -0.02 0.14 -0.06 -1.48 0.00 0.00 0.00 174.94 173.52 3cb0 s LEU 60 N -1.08 3.19 0.06 2.97 0.05 -0.75 -0.18 118.68 122.95 3cb0 s LEU 60 Ca 0.05 -0.34 0.04 0.00 0.05 0.00 0.00 54.13 53.93 3cb0 s LEU 60 Cb -0.08 -1.94 -0.03 0.00 -2.05 0.00 0.00 46.19 42.09 3cb0 s LEU 60 CO 0.01 0.16 -0.12 0.27 -0.55 0.00 0.00 176.35 176.12 3cb0 s ILE 61 N -1.34 0.96 -0.17 1.48 -4.36 -0.26 -2.40 121.20 115.11 3cb0 s ILE 61 Ca 0.24 -1.25 -0.01 0.00 -0.26 0.00 0.00 60.65 59.36 3cb0 s ILE 61 Cb -0.11 -0.96 -0.01 0.00 1.25 0.00 0.00 42.46 42.64 3cb0 s ILE 61 CO 0.16 -0.27 -0.11 0.00 0.24 0.00 0.00 174.94 174.95 3cb0 s LEU 63 N 0.94 2.13 0.23 0.00 1.43 0.39 -4.85 118.68 118.94 3cb0 s LEU 63 Ca -0.02 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3cb0 s LEU 63 Cb -0.15 -1.43 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 3cb0 s LEU 63 CO -0.01 0.13 1.39 -1.10 0.23 0.00 0.00 176.35 176.99 3cb0 s GLN 64 N 0.54 4.31 0.24 1.70 -0.21 -1.26 -0.60 119.66 124.38 3cb0 s GLN 64 Ca -0.14 2.21 0.02 0.00 0.02 0.00 0.00 55.36 57.47 3cb0 s GLN 64 Cb -0.17 -3.14 0.28 0.00 1.00 0.00 0.00 33.01 30.98 3cb0 s GLN 64 CO 0.04 -0.36 1.61 0.87 -2.12 0.00 0.00 175.29 175.33 3cb0 h LYS 65 N 5.22 0.41 -0.92 2.91 1.57 -1.31 -3.24 116.57 121.21 3cb0 h LYS 65 Ca -0.45 -0.22 0.14 0.00 -1.87 0.00 0.00 60.65 58.25 3cb0 h LYS 65 Cb 1.22 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 3cb0 h LYS 65 CO 0.78 0.78 0.59 0.97 -0.57 0.00 0.00 179.45 182.00 3cb0 h ILE 66 N 0.33 0.84 -1.89 1.86 -0.00 -1.92 -3.26 117.51 113.47 3cb0 h ILE 66 Ca 0.02 -0.26 -0.60 0.00 -0.00 0.00 0.00 64.86 64.03 3cb0 h ILE 66 Cb 0.93 0.03 -0.11 0.00 -0.00 0.00 0.00 36.82 37.66 3cb0 h ILE 66 CO 0.08 0.14 1.14 -1.00 -0.00 0.00 0.00 178.15 178.50 3cb0 s HIS 67 N -5.74 2.56 0.42 2.19 3.76 -1.23 -4.87 115.29 112.38 3cb0 s HIS 67 Ca -0.10 -0.64 0.17 0.00 -0.15 0.00 0.00 55.06 54.34 3cb0 s HIS 67 Cb 0.22 -4.56 1.08 0.00 1.11 0.00 0.00 32.58 30.43 3cb0 s HIS 67 CO 0.79 -1.88 1.86 0.93 -0.85 0.00 0.00 174.74 175.59 3cb0 h GLU 68 N 9.70 0.40 0.00 1.40 5.08 -1.85 -0.99 114.58 128.31 3cb0 h GLU 68 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3cb0 h GLU 68 Cb 1.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3cb0 h GLU 68 CO 1.30 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 179.97 3cb0 n GLU 69 N -4.51 0.24 0.21 2.33 -0.58 -1.26 -2.28 120.64 114.80 3cb0 n GLU 69 Ca 0.19 0.10 0.15 0.00 -0.42 0.00 0.00 57.16 57.18 3cb0 n GLU 69 Cb 0.69 -1.50 0.74 0.00 -0.57 0.00 0.00 31.44 30.80 3cb0 n GLU 69 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3cb0 h ASN 70 N 0.00 0.00 0.06 1.62 2.35 -1.48 -1.28 115.58 116.85 3cb0 h ASN 70 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cb0 h ASN 70 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3cb0 h ASN 70 CO 0.00 0.00 -0.01 0.03 -1.65 0.00 0.00 177.43 175.80 3cb0 h ARG 71 N 0.00 0.00 -0.81 0.81 2.47 -1.68 -2.39 114.38 112.78 3cb0 h ARG 71 Ca 0.00 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 3cb0 h ARG 71 Cb 0.13 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.40 3cb0 h ARG 71 CO 0.00 0.01 0.53 0.82 0.56 0.00 0.00 179.97 181.89 3cb0 h ILE 72 N 0.00 1.08 -0.63 2.04 2.04 -1.49 0.19 117.51 120.75 3cb0 h ILE 72 Ca -0.00 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3cb0 h ILE 72 Cb 0.04 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 3cb0 h ILE 72 CO 0.00 0.17 0.41 -0.26 0.00 0.00 0.00 178.15 178.47 3cb0 h PHE 73 N 0.93 0.77 -0.27 1.37 0.04 -1.63 -0.91 116.94 117.23 3cb0 h PHE 73 Ca 0.34 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 61.04 3cb0 h PHE 73 Cb 0.14 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3cb0 h PHE 73 CO -0.00 0.47 -0.17 0.82 -0.60 0.00 0.00 178.31 178.83 3cb0 h ILE 74 N 0.82 1.30 -0.37 -0.55 2.04 -1.44 -1.79 117.51 117.53 3cb0 h ILE 74 Ca 0.24 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 3cb0 h ILE 74 Cb -0.06 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3cb0 h ILE 74 CO -0.07 0.41 0.13 -0.33 0.00 0.00 0.00 178.15 178.29 3cb0 h GLU 75 N 0.34 0.55 0.00 2.37 5.08 -0.80 -2.82 114.58 119.30 3cb0 h GLU 75 Ca 0.06 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3cb0 h GLU 75 Cb 0.71 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3cb0 h GLU 75 CO 0.05 0.55 -0.45 -0.91 -1.00 0.00 0.00 179.01 177.25 3cb0 h ASN 76 N 0.44 0.00 -0.27 1.42 2.35 -1.21 -3.48 115.58 114.84 3cb0 h ASN 76 Ca 0.12 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 3cb0 h ASN 76 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3cb0 h ASN 76 CO -0.01 0.45 -0.11 0.61 -1.65 0.00 0.00 177.43 176.73 3cb0 n GLY 77 N -0.17 0.77 3.04 2.83 0.00 -0.67 -4.96 105.19 106.02 3cb0 n GLY 77 Ca -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.01 0.11 -0.03 1.61 -7.23 -1.25 -0.59 120.40 111.02 3cb0 s VAL 78 Ca 0.00 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 3cb0 s VAL 78 Cb 0.00 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 36.51 3cb0 s VAL 78 CO 0.00 -0.52 0.46 0.72 -0.31 0.00 0.00 175.10 175.45 3cb0 s PHE 79 N -1.77 -0.37 -0.11 2.82 -0.12 -0.59 -4.64 117.98 113.20 3cb0 s PHE 79 Ca -0.13 0.60 0.02 0.00 -0.05 0.00 0.00 56.93 57.37 3cb0 s PHE 79 Cb -0.07 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 3cb0 s PHE 79 CO -0.01 -0.48 -0.16 0.00 -0.05 0.00 0.00 175.22 174.51 3cb0 s ALA 80 N -1.30 2.51 -0.27 1.99 0.00 0.06 -0.08 121.76 124.66 3cb0 s ALA 80 Ca -0.12 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 3cb0 s ALA 80 Cb -0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3cb0 s ALA 80 CO 0.06 0.32 0.18 0.42 0.00 0.00 0.00 175.76 176.74 3cb0 s ILE 81 N 0.15 5.32 -0.27 0.00 1.01 -0.06 -0.54 121.20 126.81 3cb0 s ILE 81 Ca -0.09 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 3cb0 s ILE 81 Cb -0.15 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3cb0 s ILE 81 CO 0.05 0.28 0.02 0.20 0.00 0.00 0.00 174.94 175.49 3cb0 s ASN 82 N 1.58 4.76 -0.25 3.58 0.01 0.07 -0.96 114.94 123.73 3cb0 s ASN 82 Ca 0.07 -0.67 -0.28 0.00 -0.71 0.00 0.00 52.86 51.27 3cb0 s ASN 82 Cb -0.15 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.72 3cb0 s ASN 82 CO 0.09 -0.14 1.00 -0.89 -1.51 0.00 0.00 177.10 175.66 3cb0 s THR 83 N 1.45 4.68 0.36 1.60 2.01 -0.06 -0.73 115.64 124.94 3cb0 s THR 83 Ca 0.03 1.87 -0.24 0.00 0.31 0.00 0.00 61.69 63.65 3cb0 s THR 83 Cb -0.16 -4.29 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 3cb0 s THR 83 CO -0.00 -0.22 0.94 -0.76 -0.69 0.00 0.00 174.62 173.88 3cb0 s LEU 84 N 3.22 4.20 0.00 4.42 1.43 -0.47 -0.98 118.68 130.50 3cb0 s LEU 84 Ca 0.42 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.34 3cb0 s LEU 84 Cb -0.14 -4.19 0.05 0.00 0.03 0.00 0.00 46.19 41.94 3cb0 s LEU 84 CO 0.08 -0.17 0.43 0.00 0.23 0.00 0.00 176.35 176.92 3cb0 n ALA 85 N 0.14 0.81 -0.36 4.21 0.00 -1.26 -1.62 120.51 122.43 3cb0 n ALA 85 Ca 0.04 -1.91 0.07 0.00 0.00 0.00 0.00 53.44 51.63 3cb0 n ALA 85 Cb 0.51 0.74 0.16 0.00 0.00 0.00 0.00 19.45 20.86 3cb0 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cb0 n GLY 86 N -0.88 -1.63 0.00 0.00 0.00 -0.69 -2.01 105.19 99.99 3cb0 n GLY 86 Ca 0.01 1.05 0.04 0.00 0.00 0.00 0.00 46.02 47.12 3cb0 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cb0 n PRO 87 N -5.60 0.97 -0.54 1.61 -0.05 -1.26 -4.20 135.00 125.93 3cb0 n PRO 87 Ca 0.17 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.71 3cb0 n PRO 87 Cb 0.53 -1.12 0.33 0.00 -0.05 0.00 0.00 33.50 33.20 3cb0 n PRO 87 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3cb0 n HIS 88 N -0.62 1.31 0.02 0.54 8.25 -0.85 -4.58 115.22 119.29 3cb0 n HIS 88 Ca 0.05 -0.60 -0.12 0.00 -0.26 0.00 0.00 57.72 56.80 3cb0 n HIS 88 Cb 0.03 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 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 3.83 0.07 -0.80 -0.41 4.15 -1.80 0.62 115.11 120.77 3cb0 h GLN 89 Ca 0.00 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 3cb0 h GLN 89 Cb 1.34 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.96 3cb0 h GLN 89 CO 0.18 0.05 0.50 0.37 -1.93 0.00 0.00 178.83 178.00 3cb0 h GLN 90 N 0.06 0.93 -0.52 1.69 4.15 -1.95 -0.14 115.11 119.33 3cb0 h GLN 90 Ca 0.02 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 3cb0 h GLN 90 Cb -0.00 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 3cb0 h GLN 90 CO -0.00 0.62 0.16 1.25 -1.93 0.00 0.00 178.83 178.93 3cb0 h LEU 91 N 0.96 0.76 -0.55 -2.39 5.85 -1.78 -0.84 115.31 117.33 3cb0 h LEU 91 Ca 0.33 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3cb0 h LEU 91 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3cb0 h LEU 91 CO -0.13 0.77 0.34 0.00 -0.34 0.00 0.00 178.44 179.08 3cb0 h ALA 92 N 1.02 0.70 -0.46 1.25 0.00 -0.43 -1.16 119.26 120.19 3cb0 h ALA 92 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3cb0 h ALA 92 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3cb0 h ALA 92 CO -0.01 0.07 0.25 -0.44 0.00 0.00 0.00 179.25 179.13 3cb0 h ASP 93 N 0.68 0.38 -0.29 0.00 3.32 -0.77 -1.73 116.42 118.01 3cb0 h ASP 93 Ca 0.21 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3cb0 h ASP 93 Cb -0.01 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3cb0 h ASP 93 CO -0.08 0.27 0.10 0.00 -1.72 0.00 0.00 179.24 177.81 3cb0 h ALA 94 N 1.23 0.33 -0.00 3.45 0.00 -0.80 -2.56 119.26 120.90 3cb0 h ALA 94 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3cb0 h ALA 94 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cb0 h ALA 94 CO -0.12 -0.30 0.00 1.19 0.00 0.00 0.00 179.25 180.02 3cb0 n PHE 95 N -5.02 0.00 1.02 0.00 3.72 -0.47 -2.34 117.46 114.37 3cb0 n PHE 95 Ca -0.01 -0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 3cb0 n PHE 95 Cb 0.10 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.89 0.58 0.00 4.37 3.41 -0.67 -0.91 113.62 119.51 3cb0 n SER 96 Ca 0.23 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3cb0 n SER 96 Cb 0.13 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.48 0.76 0.05 5.00 0.00 -0.99 -4.92 105.19 106.57 3cb0 n GLY 97 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3cb0 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cb0 n ARG 98 N -2.43 0.35 -0.73 1.61 1.74 -1.21 -3.64 116.66 112.35 3cb0 n ARG 98 Ca 0.00 -0.09 0.05 0.00 -0.77 0.00 0.00 57.85 57.04 3cb0 n ARG 98 Cb 0.00 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.05 3cb0 n ARG 98 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3cb0 n ILE 99 N -1.25 1.18 -4.26 0.55 -5.35 -1.26 -5.06 119.36 103.91 3cb0 n ILE 99 Ca 0.11 -1.91 0.00 0.00 -0.27 0.00 0.00 62.75 60.68 3cb0 n ILE 99 Cb 0.30 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 -0.55 0.58 0.63 3.28 0.00 -1.24 -5.03 105.19 102.87 3cb0 n GLY 100 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.42 -4.76 0.99 4.77 -1.26 -4.80 117.00 110.52 3cb0 n LEU 101 Ca 0.00 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 3cb0 n LEU 101 Cb 0.00 -0.59 0.13 0.00 -2.33 0.00 0.00 43.42 40.62 3cb0 n LEU 101 CO 0.00 0.13 0.69 0.42 -1.33 0.00 0.00 177.39 177.30 3cb0 s THR 102 N -2.75 2.60 0.17 -5.08 -4.23 -1.26 -4.82 115.64 100.28 3cb0 s THR 102 Ca 0.00 0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.56 3cb0 s THR 102 Cb 0.00 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3cb0 s THR 102 CO 0.00 -0.25 1.73 1.56 -0.54 0.00 0.00 174.62 177.12 3cb0 h GLN 103 N -1.42 0.25 -0.77 3.99 1.08 -1.94 -0.24 115.11 116.06 3cb0 h GLN 103 Ca -0.49 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 56.75 3cb0 h GLN 103 Cb 1.29 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.61 3cb0 h GLN 103 CO 0.58 0.16 0.45 -0.44 -0.95 0.00 0.00 178.83 178.64 3cb0 h ASP 104 N 0.25 0.69 -0.09 1.46 3.32 -1.93 -0.66 116.42 119.47 3cb0 h ASP 104 Ca 0.21 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3cb0 h ASP 104 Cb 0.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3cb0 h ASP 104 CO -0.26 0.44 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.23 3cb0 h GLU 105 N 0.83 0.44 -0.16 3.56 5.08 -1.75 -2.10 114.58 120.49 3cb0 h GLU 105 Ca 0.34 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3cb0 h GLU 105 Cb 0.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3cb0 h GLU 105 CO -0.18 0.58 -0.03 0.00 -1.00 0.00 0.00 179.01 178.38 3cb0 h ARG 106 N 0.41 0.30 0.00 2.33 3.08 -0.11 -3.02 114.38 117.37 3cb0 h ARG 106 Ca 0.08 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3cb0 h ARG 106 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3cb0 h ARG 106 CO 0.03 0.57 -0.02 0.74 -1.07 0.00 0.00 179.97 180.22 3cb0 h PHE 107 N 0.01 0.00 0.00 3.04 0.04 -1.01 -2.44 116.94 116.58 3cb0 h PHE 107 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3cb0 h PHE 107 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3cb0 h PHE 107 CO 0.05 0.02 0.00 0.93 -0.60 0.00 0.00 178.31 178.70 3cb0 h GLU 108 N 0.00 0.00 0.00 1.51 5.08 -1.24 -2.80 114.58 117.12 3cb0 h GLU 108 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cb0 h GLU 108 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3cb0 h GLU 108 CO 0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3cb0 n LEU 109 N -2.40 0.00 -4.05 1.33 4.77 -0.92 -4.88 117.00 110.84 3cb0 n LEU 109 Ca 0.00 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 3cb0 n LEU 109 Cb 0.15 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 3cb0 n LEU 109 CO 0.16 -0.01 0.06 0.00 -1.33 0.00 0.00 177.39 176.27 3cb0 s ALA 110 N -2.52 0.15 -0.04 -1.18 0.00 -1.06 -4.97 121.76 112.14 3cb0 s ALA 110 Ca 0.29 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 3cb0 s ALA 110 Cb 0.19 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.43 3cb0 s ALA 110 CO 0.43 -0.78 0.17 0.00 0.00 0.00 0.00 175.76 175.57 3cb0 s ALA 111 N -4.05 3.92 0.18 0.00 0.00 -1.26 -4.99 121.76 115.55 3cb0 s ALA 111 Ca 0.27 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.54 3cb0 s ALA 111 Cb 0.01 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 3cb0 s ALA 111 CO 0.10 0.71 -0.07 -1.58 0.00 0.00 0.00 175.76 174.92 3cb0 s TRP 112 N -1.23 1.38 0.31 0.00 0.52 -1.26 -1.37 118.94 117.29 3cb0 s TRP 112 Ca 0.23 -0.81 0.04 0.00 0.02 0.00 0.00 56.10 55.58 3cb0 s TRP 112 Cb -0.12 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.42 3cb0 s TRP 112 CO 0.14 0.04 0.19 -1.83 0.02 0.00 0.00 176.95 175.52 3cb0 s GLU 113 N -3.79 1.63 0.15 4.98 -1.05 0.59 -4.86 118.70 116.36 3cb0 s GLU 113 Ca 0.21 -1.94 0.08 0.00 -0.15 0.00 0.00 54.97 53.18 3cb0 s GLU 113 Cb 0.04 0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 3cb0 s GLU 113 CO 0.04 -0.51 -0.08 0.96 0.95 0.00 0.00 175.26 176.62 3cb0 s ILE 114 N -3.59 3.35 0.00 1.83 -4.36 -1.26 -0.23 121.20 116.94 3cb0 s ILE 114 Ca 0.37 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 3cb0 s ILE 114 Cb 0.04 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3cb0 s ILE 114 CO 0.20 -0.03 0.00 0.18 0.24 0.00 0.00 174.94 175.52 3cb0 n LEU 115 N 0.23 0.00 -0.06 0.37 4.77 -1.26 -4.98 117.00 116.07 3cb0 n LEU 115 Ca -0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 3cb0 n LEU 115 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3cb0 n LEU 115 CO 0.35 0.00 -0.90 0.00 -1.33 0.00 0.00 177.39 175.51 3cb0 n ALA 116 N -2.97 1.72 -0.01 -1.18 0.00 -1.26 -4.79 120.51 112.02 3cb0 n ALA 116 Ca 0.00 -0.61 0.10 0.00 0.00 0.00 0.00 53.44 52.93 3cb0 n ALA 116 Cb 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.72 0.04 0.00 0.00 -2.24 -1.26 -4.98 114.28 103.12 3cb0 n THR 117 Ca -0.21 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3cb0 n THR 117 Cb 0.78 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.30 1.73 3.74 3.38 0.00 -1.26 -4.96 105.19 109.12 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 -2.47 3.79 0.20 4.61 0.00 -1.26 -4.54 121.76 122.09 3cb0 s ALA 119 Ca 0.00 1.56 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 3cb0 s ALA 119 Cb 0.00 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 3cb0 s ALA 119 CO 0.00 -0.96 1.58 -2.14 0.00 0.00 0.00 175.76 174.24 3cb0 s PRO 120 N -0.02 4.20 -0.15 0.00 0.02 -1.26 -4.50 135.00 133.29 3cb0 s PRO 120 Ca 0.66 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 64.09 3cb0 s PRO 120 Cb -0.48 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 30.90 3cb0 s PRO 120 CO 0.43 -0.61 -0.10 0.08 -0.33 0.00 0.00 177.00 176.48 3cb0 s VAL 121 N 0.85 3.27 -0.05 3.83 1.01 0.68 -4.69 120.40 125.29 3cb0 s VAL 121 Ca 0.68 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3cb0 s VAL 121 Cb -0.45 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3cb0 s VAL 121 CO 0.35 0.51 1.21 -0.22 0.00 0.00 0.00 175.10 176.95 3cb0 s LEU 122 N 0.48 4.28 0.11 3.92 2.96 -1.26 -0.30 118.68 128.87 3cb0 s LEU 122 Ca -0.07 1.83 -0.31 0.00 -0.22 0.00 0.00 54.13 55.35 3cb0 s LEU 122 Cb -0.15 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 3cb0 s LEU 122 CO 0.04 -0.59 1.36 -0.54 -1.32 0.00 0.00 176.35 175.30 3cb0 s LYS 123 N 2.25 4.34 0.00 1.98 -0.14 -0.47 -2.62 119.74 125.08 3cb0 s LYS 123 Ca 0.56 2.04 0.00 0.00 -1.36 0.00 0.00 55.97 57.21 3cb0 s LYS 123 Cb -0.25 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.64 3cb0 s LYS 123 CO 0.22 -0.41 0.00 0.41 -0.76 0.00 0.00 175.35 174.81 3cb0 n GLY 124 N 3.41 0.74 3.75 -3.33 0.00 -1.26 -4.79 105.19 103.71 3cb0 n GLY 124 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 2.48 0.26 4.61 0.00 -1.08 -4.66 121.76 120.72 3cb0 s ALA 125 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 3cb0 s ALA 125 Cb 0.00 -3.45 0.33 0.00 0.00 0.00 0.00 23.12 20.00 3cb0 s ALA 125 CO 0.00 -1.27 1.77 -0.07 0.00 0.00 0.00 175.76 176.19 3cb0 h LEU 126 N 0.69 0.80 -7.08 0.00 3.38 -1.32 -3.34 115.31 108.44 3cb0 h LEU 126 Ca -0.50 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 3cb0 h LEU 126 Cb 1.30 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 3cb0 h LEU 126 CO 0.54 0.83 0.13 0.00 0.09 0.00 0.00 178.44 180.04 3cb0 s ALA 127 N -5.08 -1.54 -0.03 1.53 0.00 -1.25 -1.77 121.76 113.62 3cb0 s ALA 127 Ca -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 3cb0 s ALA 127 Cb 0.15 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3cb0 s ALA 127 CO 0.81 -0.54 0.08 0.00 0.00 0.00 0.00 175.76 176.11 3cb0 s ALA 128 N -2.44 -0.15 -0.26 0.00 0.00 0.40 -0.88 121.76 118.43 3cb0 s ALA 128 Ca -0.05 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3cb0 s ALA 128 Cb -0.01 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.98 3cb0 s ALA 128 CO -0.01 -0.07 -0.03 -0.06 0.00 0.00 0.00 175.76 175.58 3cb0 s PHE 129 N 0.43 2.67 -0.24 0.00 0.08 -0.13 -1.55 117.98 119.23 3cb0 s PHE 129 Ca -0.03 -2.02 -0.16 0.00 0.12 0.00 0.00 56.93 54.84 3cb0 s PHE 129 Cb -0.05 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3cb0 s PHE 129 CO -0.02 -0.82 0.43 0.34 -0.10 0.00 0.00 175.22 175.05 3cb0 s ASP 130 N 1.30 6.38 0.04 1.36 2.15 0.24 -0.88 116.67 127.26 3cb0 s ASP 130 Ca -0.03 0.45 0.06 0.00 0.43 0.00 0.00 52.55 53.46 3cb0 s ASP 130 Cb -0.19 -2.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3cb0 s ASP 130 CO -0.08 -0.18 -0.16 0.00 -0.17 0.00 0.00 175.17 174.58 3cb0 s ARG 132 N -1.16 4.04 0.01 0.00 1.70 -0.42 -1.54 118.95 121.57 3cb0 s ARG 132 Ca 0.04 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.78 3cb0 s ARG 132 Cb -0.08 -3.36 -0.06 0.00 -0.57 0.00 0.00 34.95 30.88 3cb0 s ARG 132 CO 0.01 0.38 1.52 0.08 -1.08 0.00 0.00 175.30 176.21 3cb0 s VAL 133 N 0.12 3.50 -0.09 4.99 1.01 0.24 -0.94 120.40 129.23 3cb0 s VAL 133 Ca 0.09 0.86 0.09 0.00 0.00 0.00 0.00 61.98 63.02 3cb0 s VAL 133 Cb -0.11 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 3cb0 s VAL 133 CO -0.01 -0.02 0.24 1.33 0.00 0.00 0.00 175.10 176.64 3cb0 n VAL 134 N 4.85 0.00 -3.70 2.92 0.24 0.16 -4.94 118.33 117.86 3cb0 n VAL 134 Ca 0.15 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 3cb0 n VAL 134 Cb 0.43 0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 33.14 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 -2.82 -0.55 -0.09 -1.34 0.15 -1.16 -5.00 113.70 102.89 3cb0 s SER 135 Ca -0.02 1.04 0.02 0.00 0.70 0.00 0.00 55.95 57.70 3cb0 s SER 135 Cb 0.06 1.04 0.01 0.00 -1.71 0.00 0.00 66.02 65.43 3cb0 s SER 135 CO 0.38 -0.18 -0.14 -0.69 1.20 0.00 0.00 173.24 173.80 3cb0 s VAL 136 N 0.41 1.35 0.12 4.45 1.01 -1.26 -1.01 120.40 125.48 3cb0 s VAL 136 Ca -0.01 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.48 3cb0 s VAL 136 Cb -0.04 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3cb0 s VAL 136 CO -0.01 0.41 -0.24 -1.10 0.00 0.00 0.00 175.10 174.16 3cb0 s GLN 137 N 0.81 1.28 -0.30 2.72 -0.21 0.22 -4.97 119.66 119.20 3cb0 s GLN 137 Ca -0.11 -1.28 -0.09 0.00 0.02 0.00 0.00 55.36 53.90 3cb0 s GLN 137 Cb -0.16 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 3cb0 s GLN 137 CO 0.02 0.38 0.14 0.34 -2.12 0.00 0.00 175.29 174.05 3cb0 s ASP 138 N -2.05 5.49 -0.41 5.90 -1.08 -1.26 -0.26 116.67 122.99 3cb0 s ASP 138 Ca 0.11 -0.47 0.02 0.00 -0.52 0.00 0.00 52.55 51.69 3cb0 s ASP 138 Cb -0.10 -1.99 0.13 0.00 -1.46 0.00 0.00 42.92 39.50 3cb0 s ASP 138 CO 0.05 -0.17 0.21 -1.00 0.52 0.00 0.00 175.17 174.78 3cb0 s HIS 139 N 1.61 2.02 0.00 -5.34 3.76 0.12 -4.99 115.29 112.47 3cb0 s HIS 139 Ca 0.05 -2.34 0.00 0.00 -0.15 0.00 0.00 55.06 52.62 3cb0 s HIS 139 Cb -0.17 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3cb0 s HIS 139 CO 0.06 -0.81 0.00 0.43 -0.85 0.00 0.00 174.74 173.57 3cb0 n SER 140 N 3.79 0.00 -0.05 1.40 7.64 -1.26 -1.69 113.62 123.45 3cb0 n SER 140 Ca 0.06 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.09 3cb0 n SER 140 Cb 0.36 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.22 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 -4.21 0.44 -2.24 -1.26 -4.87 114.28 102.14 3cb0 n THR 141 Ca 0.00 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 3cb0 n THR 141 Cb 0.00 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.59 1.34 0.09 4.78 3.76 -0.68 -0.78 115.29 121.21 3cb0 s HIS 142 Ca 0.26 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.55 3cb0 s HIS 142 Cb 0.20 -0.73 -0.06 0.00 1.11 0.00 0.00 32.58 33.10 3cb0 s HIS 142 CO 0.49 0.11 0.46 -1.01 -0.85 0.00 0.00 174.74 173.93 3cb0 s HIS 143 N -1.66 3.63 -0.21 1.40 0.09 0.23 -0.71 115.29 118.05 3cb0 s HIS 143 Ca 0.04 0.94 -0.02 0.00 -0.00 0.00 0.00 55.06 56.01 3cb0 s HIS 143 Cb -0.08 -2.27 0.00 0.00 -0.00 0.00 0.00 32.58 30.24 3cb0 s HIS 143 CO 0.03 0.51 -0.09 0.08 -0.00 0.00 0.00 174.74 175.27 3cb0 s VAL 144 N -1.36 2.96 -0.15 -0.90 1.01 0.63 -0.47 120.40 122.14 3cb0 s VAL 144 Ca 0.33 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3cb0 s VAL 144 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3cb0 s VAL 144 CO 0.18 0.43 -0.03 -0.76 0.00 0.00 0.00 175.10 174.92 3cb0 s LEU 145 N 1.41 3.30 -0.19 3.92 1.02 -0.03 -0.61 118.68 127.50 3cb0 s LEU 145 Ca 0.05 -0.09 -0.09 0.00 0.02 0.00 0.00 54.13 54.02 3cb0 s LEU 145 Cb -0.14 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 3cb0 s LEU 145 CO -0.06 0.19 0.09 -0.36 0.02 0.00 0.00 176.35 176.23 3cb0 s PHE 146 N 0.23 3.32 -0.03 0.29 0.08 -0.18 -1.11 117.98 120.59 3cb0 s PHE 146 Ca -0.02 0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.26 3cb0 s PHE 146 Cb -0.14 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 3cb0 s PHE 146 CO 0.03 0.21 -0.19 0.20 -0.10 0.00 0.00 175.22 175.37 3cb0 s GLY 147 N 0.37 0.96 -0.06 4.36 0.00 0.75 -0.66 107.32 113.04 3cb0 s GLY 147 Ca 0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.79 3cb0 s GLY 147 CO -0.01 -0.59 0.48 -0.54 0.00 0.00 0.00 173.10 172.44 3cb0 s GLU 148 N -0.30 4.22 -0.28 2.90 2.02 -0.12 -0.83 118.70 126.32 3cb0 s GLU 148 Ca 0.04 0.49 -0.28 0.00 0.02 0.00 0.00 54.97 55.24 3cb0 s GLU 148 Cb -0.09 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.80 3cb0 s GLU 148 CO 0.00 0.36 1.00 0.08 0.02 0.00 0.00 175.26 176.72 3cb0 s VAL 149 N -0.05 4.64 -0.22 2.63 1.01 -0.29 -1.30 120.40 126.81 3cb0 s VAL 149 Ca 0.26 1.75 0.04 0.00 0.00 0.00 0.00 61.98 64.03 3cb0 s VAL 149 Cb -0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3cb0 s VAL 149 CO 0.12 -0.30 0.21 1.33 0.00 0.00 0.00 175.10 176.46 3cb0 n VAL 150 N 5.56 0.00 -3.89 2.92 0.24 0.12 -4.84 118.33 118.43 3cb0 n VAL 150 Ca 0.10 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 3cb0 n VAL 150 Cb 0.47 1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.74 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 -1.36 0.07 -0.09 7.63 0.00 -0.77 -4.80 107.32 108.01 3cb0 s GLY 151 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 3cb0 s GLY 151 CO 0.17 -0.29 0.22 -2.27 0.00 0.00 0.00 173.10 170.93 3cb0 s LEU 152 N -1.22 1.02 0.03 0.66 2.96 -1.26 -0.59 118.68 120.27 3cb0 s LEU 152 Ca -0.13 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3cb0 s LEU 152 Cb -0.07 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.34 3cb0 s LEU 152 CO 0.01 -0.09 0.03 -0.94 -1.32 0.00 0.00 176.35 174.04 3cb0 s SER 153 N 0.34 0.23 -0.13 3.68 1.04 -0.60 -4.98 113.70 113.29 3cb0 s SER 153 Ca -0.02 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 3cb0 s SER 153 Cb -0.03 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.29 3cb0 s SER 153 CO -0.01 -0.42 0.33 -0.55 0.98 0.00 0.00 173.24 173.57 3cb0 s SER 154 N -1.88 -0.35 0.01 7.02 0.15 -1.26 -0.45 113.70 116.94 3cb0 s SER 154 Ca -0.09 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.25 3cb0 s SER 154 Cb -0.04 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 3cb0 s SER 154 CO -0.03 -0.13 -0.06 -1.00 1.20 0.00 0.00 173.24 173.22 3cb0 s HIS 155 N 0.41 0.54 -1.52 3.44 3.76 -0.73 -4.98 115.29 116.21 3cb0 s HIS 155 Ca -0.02 -0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 3cb0 s HIS 155 Cb -0.04 -0.34 -0.01 0.00 1.11 0.00 0.00 32.58 33.31 3cb0 s HIS 155 CO -0.02 -0.04 2.63 0.00 -0.85 0.00 0.00 174.74 176.46 3cb0 n ALA 156 N 2.41 6.82 -1.80 -1.40 0.00 -1.26 -4.63 120.51 120.64 3cb0 n ALA 156 Ca -0.16 -3.75 -0.33 0.00 0.00 0.00 0.00 53.44 49.20 3cb0 n ALA 156 Cb 0.57 -3.31 -0.03 0.00 0.00 0.00 0.00 19.45 16.68 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 1.83 3.88 0.15 0.00 0.41 -1.26 -4.99 118.70 118.72 3cb0 s GLU 157 Ca 0.60 1.07 0.05 0.00 -0.41 0.00 0.00 54.97 56.28 3cb0 s GLU 157 Cb 0.16 -2.12 -0.06 0.00 -1.78 0.00 0.00 34.13 30.33 3cb0 s GLU 157 CO -0.07 -0.34 1.35 0.93 -0.49 0.00 0.00 175.26 176.65 3cb0 h GLU 158 N 1.09 0.09 -4.82 1.61 5.08 -1.96 -3.45 114.58 112.22 3cb0 h GLU 158 Ca -0.47 -0.12 -0.35 0.00 -1.00 0.00 0.00 59.36 57.42 3cb0 h GLU 158 Cb 1.19 0.04 -0.24 0.00 0.50 0.00 0.00 28.75 30.25 3cb0 h GLU 158 CO 0.60 0.94 -0.76 -1.21 -1.00 0.00 0.00 179.01 177.59 3cb0 s GLU 159 N -3.02 0.66 -0.06 2.33 2.02 -1.26 -1.85 118.70 117.51 3cb0 s GLU 159 Ca -0.01 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.22 3cb0 s GLU 159 Cb 0.10 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 3cb0 s GLU 159 CO 0.82 0.13 0.22 0.00 0.02 0.00 0.00 175.26 176.45 3cb0 s ALA 160 N -0.99 3.84 -0.17 5.21 0.00 0.54 -1.70 121.76 128.49 3cb0 s ALA 160 Ca -0.04 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.15 3cb0 s ALA 160 Cb -0.08 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3cb0 s ALA 160 CO 0.01 0.60 0.72 -1.17 0.00 0.00 0.00 175.76 175.92 3cb0 s LEU 161 N -1.23 4.18 -0.02 0.00 2.96 -0.64 -1.08 118.68 122.84 3cb0 s LEU 161 Ca 0.20 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 55.17 3cb0 s LEU 161 Cb -0.13 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 3cb0 s LEU 161 CO 0.09 -0.30 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.02 3cb0 s ILE 162 N 1.87 1.36 -0.20 6.68 1.01 -0.19 -1.68 121.20 130.05 3cb0 s ILE 162 Ca 0.34 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 3cb0 s ILE 162 Cb -0.16 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3cb0 s ILE 162 CO 0.12 0.39 0.08 -0.47 0.00 0.00 0.00 174.94 175.06 3cb0 s TYR 163 N -0.30 3.24 -0.27 3.97 5.04 0.15 -0.15 117.35 129.04 3cb0 s TYR 163 Ca 0.04 0.04 -0.22 0.00 -2.44 0.00 0.00 57.07 54.49 3cb0 s TYR 163 Cb -0.08 -2.13 0.08 0.00 0.35 0.00 0.00 41.96 40.18 3cb0 s TYR 163 CO -0.00 0.08 0.74 -1.17 -1.34 0.00 0.00 175.55 173.86 3cb0 s LEU 164 N 0.64 -0.78 -1.45 6.97 2.96 -0.65 -1.17 118.68 125.20 3cb0 s LEU 164 Ca 0.04 1.40 -0.10 0.00 -0.22 0.00 0.00 54.13 55.25 3cb0 s LEU 164 Cb -0.13 2.38 0.05 0.00 0.50 0.00 0.00 46.19 48.99 3cb0 s LEU 164 CO 0.01 -0.24 0.99 -3.20 -1.32 0.00 0.00 176.35 172.60 3cb0 n ASN 165 N 3.15 -4.54 -2.27 3.68 5.15 0.72 -2.34 115.26 118.80 3cb0 n ASN 165 Ca -0.16 -0.73 -0.21 0.00 -0.60 0.00 0.00 54.58 52.89 3cb0 n ASN 165 Cb 0.56 -4.20 -0.02 0.00 -0.53 0.00 0.00 39.78 35.59 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 -4.68 -1.65 -3.90 1.20 1.74 -1.26 -4.98 116.66 103.13 3cb0 n ARG 166 Ca -0.03 1.05 -0.09 0.00 -0.77 0.00 0.00 57.85 58.01 3cb0 n ARG 166 Cb 0.56 -5.67 -0.07 0.00 -1.02 0.00 0.00 32.46 26.26 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 -4.85 1.09 0.24 5.56 1.70 -0.99 -5.16 118.95 116.55 3cb0 s ARG 167 Ca 0.00 -1.07 -0.18 0.00 -0.47 0.00 0.00 55.73 54.00 3cb0 s ARG 167 Cb 0.00 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.68 3cb0 s ARG 167 CO 0.00 -0.40 0.71 0.71 -1.08 0.00 0.00 175.30 175.25 3cb0 s TYR 168 N -3.93 3.58 0.07 5.89 2.02 -1.26 -1.64 117.35 122.09 3cb0 s TYR 168 Ca 0.13 1.33 0.03 0.00 -0.37 0.00 0.00 57.07 58.18 3cb0 s TYR 168 Cb 0.03 -2.58 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 3cb0 s TYR 168 CO -0.04 0.29 -0.09 -1.01 -1.57 0.00 0.00 175.55 173.13 3cb0 s HIS 169 N -1.62 0.89 -0.19 2.71 3.76 0.79 -4.96 115.29 116.66 3cb0 s HIS 169 Ca 0.45 -0.63 -0.02 0.00 -0.15 0.00 0.00 55.06 54.72 3cb0 s HIS 169 Cb -0.15 -0.51 -0.00 0.00 1.11 0.00 0.00 32.58 33.03 3cb0 s HIS 169 CO 0.20 -0.06 -0.09 0.15 -0.85 0.00 0.00 174.74 174.09 3cb0 s LYS 170 N -2.41 3.30 -0.20 1.40 1.02 -1.26 -1.02 119.74 120.57 3cb0 s LYS 170 Ca -0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 3cb0 s LYS 170 Cb -0.05 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3cb0 s LYS 170 CO -0.01 -0.10 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.04 3cb0 s LEU 171 N 1.18 2.56 0.17 3.17 2.96 -0.24 -4.91 118.68 123.57 3cb0 s LEU 171 Ca 0.02 -0.50 -0.31 0.00 -0.22 0.00 0.00 54.13 53.11 3cb0 s LEU 171 Cb -0.14 -1.63 -0.10 0.00 0.50 0.00 0.00 46.19 44.82 3cb0 s LEU 171 CO -0.03 -0.01 1.55 -1.61 -1.32 0.00 0.00 176.35 174.93 3cb0 s GLU 172 N 1.37 4.23 0.00 1.98 2.02 -1.26 -0.34 118.70 126.69 3cb0 s GLU 172 Ca 0.05 2.34 0.12 0.00 0.02 0.00 0.00 54.97 57.50 3cb0 s GLU 172 Cb -0.14 -3.16 0.72 0.00 0.10 0.00 0.00 34.13 31.66 3cb0 s GLU 172 CO -0.07 -0.58 1.16 1.28 0.02 0.00 0.00 175.26 177.06