#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ecg s SER 2 N 0.00 2.82 -0.16 1.61 1.04 -1.26 -5.13 113.70 112.62 2ecg s SER 2 Ca 0.00 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 2ecg s SER 2 Cb 0.00 -0.28 0.14 0.00 0.10 0.00 0.00 66.02 65.97 2ecg s SER 2 CO 0.00 0.26 1.08 -0.94 0.98 0.00 0.00 173.24 174.62 2ecg s SER 3 N -0.86 -0.27 0.00 7.02 1.04 -1.26 -5.19 113.70 114.19 2ecg s SER 3 Ca 0.09 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2ecg s SER 3 Cb -0.09 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2ecg s SER 3 CO 0.00 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2ecg n GLY 4 N 0.39 3.42 3.43 7.32 0.00 -1.26 -5.16 105.19 113.33 2ecg n GLY 4 Ca -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.03 2ecg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ecg s SER 5 N 0.00 -0.64 0.34 1.61 0.15 -1.26 -5.18 113.70 108.73 2ecg s SER 5 Ca 0.00 0.88 -0.07 0.00 0.70 0.00 0.00 55.95 57.46 2ecg s SER 5 Cb 0.00 1.73 0.02 0.00 -1.71 0.00 0.00 66.02 66.05 2ecg s SER 5 CO 0.00 -0.12 0.56 -0.44 1.20 0.00 0.00 173.24 174.44 2ecg s SER 6 N 2.50 0.56 0.00 5.45 0.01 -1.26 -5.18 113.70 115.78 2ecg s SER 6 Ca -0.03 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2ecg s SER 6 Cb -0.07 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2ecg s SER 6 CO -0.18 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.70 2ecg n GLY 7 N -0.54 4.55 3.74 3.44 0.00 -1.26 -5.11 105.19 110.02 2ecg n GLY 7 Ca -0.02 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2ecg n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ecg s SER 8 N 0.00 7.47 -0.29 1.61 0.01 -1.26 -5.04 113.70 116.20 2ecg s SER 8 Ca 0.00 1.75 0.02 0.00 1.31 0.00 0.00 55.95 59.03 2ecg s SER 8 Cb 0.00 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.75 2ecg s SER 8 CO 0.00 0.05 0.01 -0.76 0.41 0.00 0.00 173.24 172.96 2ecg s LEU 9 N -0.50 3.32 -0.25 2.44 1.43 -1.26 -5.10 118.68 118.76 2ecg s LEU 9 Ca 0.42 -1.64 -0.21 0.00 -1.03 0.00 0.00 54.13 51.67 2ecg s LEU 9 Cb -0.23 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2ecg s LEU 9 CO 0.29 -0.32 0.65 -1.10 0.23 0.00 0.00 176.35 176.09 2ecg s GLN 10 N 1.25 4.13 -0.33 1.70 -0.21 -1.26 -5.04 119.66 119.91 2ecg s GLN 10 Ca 0.03 0.60 -0.09 0.00 0.02 0.00 0.00 55.36 55.93 2ecg s GLN 10 Cb -0.19 -3.64 0.01 0.00 1.00 0.00 0.00 33.01 30.20 2ecg s GLN 10 CO -0.11 -0.40 0.14 0.21 -2.12 0.00 0.00 175.29 173.00 2ecg s LYS 11 N 2.47 3.04 0.01 2.91 2.36 -1.26 -5.07 119.74 124.21 2ecg s LYS 11 Ca 0.27 -0.91 -0.18 0.00 -2.55 0.00 0.00 55.97 52.60 2ecg s LYS 11 Cb -0.15 -3.54 0.03 0.00 -1.05 0.00 0.00 37.83 33.12 2ecg s LYS 11 CO 0.09 -0.53 0.39 -2.00 1.55 0.00 0.00 175.35 174.85 2ecg s GLU 12 N 1.54 0.83 0.28 4.03 2.12 -1.26 -5.17 118.70 121.07 2ecg s GLU 12 Ca 0.03 -0.25 -0.06 0.00 0.36 0.00 0.00 54.97 55.05 2ecg s GLU 12 Cb -0.18 0.37 -0.06 0.00 0.26 0.00 0.00 34.13 34.53 2ecg s GLU 12 CO 0.05 -0.26 0.55 0.42 -0.54 0.00 0.00 175.26 175.48 2ecg s ILE 13 N -1.92 5.01 0.09 -3.70 1.01 -1.26 -5.10 121.20 115.32 2ecg s ILE 13 Ca -0.09 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2ecg s ILE 13 Cb -0.02 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2ecg s ILE 13 CO 0.01 -0.27 0.04 -0.94 0.00 0.00 0.00 174.94 173.78 2ecg s SER 14 N -2.99 5.26 0.51 3.58 1.04 -1.26 -4.94 113.70 114.90 2ecg s SER 14 Ca 0.45 -0.10 0.40 0.00 0.48 0.00 0.00 55.95 57.17 2ecg s SER 14 Cb -0.11 -1.33 1.58 0.00 0.10 0.00 0.00 66.02 66.26 2ecg s SER 14 CO 0.28 0.17 1.66 0.00 0.98 0.00 0.00 173.24 176.33 2ecg h THR 15 N 2.73 0.16 0.62 2.02 1.03 -1.99 0.16 112.91 117.65 2ecg h THR 15 Ca -0.47 -0.01 -0.02 0.00 -0.01 0.00 0.00 66.41 65.89 2ecg h THR 15 Cb 1.16 0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.36 2ecg h THR 15 CO 0.63 0.01 -0.38 -0.33 -0.01 0.00 0.00 175.52 175.43 2ecg h GLU 16 N 0.04 -0.91 0.14 0.00 5.08 -1.99 -0.33 114.58 116.61 2ecg h GLU 16 Ca 0.80 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 59.21 2ecg h GLU 16 Cb 2.95 0.21 0.00 0.00 0.50 0.00 0.00 28.75 32.41 2ecg h GLU 16 CO -0.14 -0.61 -0.07 1.49 -1.00 0.00 0.00 179.01 178.69 2ecg h GLU 17 N -0.94 -0.18 -0.32 2.33 4.22 -1.16 -2.67 114.58 115.85 2ecg h GLU 17 Ca -0.08 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.42 2ecg h GLU 17 Cb 0.76 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 2ecg h GLU 17 CO 0.08 0.19 -0.48 1.96 -2.18 0.00 0.00 179.01 178.58 2ecg h GLN 18 N -0.60 -0.35 -0.60 1.92 4.20 -1.19 -1.03 115.11 117.46 2ecg h GLN 18 Ca -0.02 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.84 2ecg h GLN 18 Cb 0.46 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.22 2ecg h GLN 18 CO 0.03 -0.24 0.05 -0.07 -0.67 0.00 0.00 178.83 177.94 2ecg h LEU 19 N -0.37 -0.16 -0.91 1.46 4.07 -1.14 0.45 115.31 118.72 2ecg h LEU 19 Ca 0.06 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2ecg h LEU 19 Cb 0.53 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2ecg h LEU 19 CO -0.50 -0.07 0.36 0.03 -1.08 0.00 0.00 178.44 177.19 2ecg h ARG 20 N 0.17 0.00 0.00 1.13 3.08 -0.82 0.88 114.38 118.81 2ecg h ARG 20 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2ecg h ARG 20 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2ecg h ARG 20 CO -0.47 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.23 2ecg h ARG 21 N 0.00 0.00 -0.16 0.04 3.08 0.21 -3.34 114.38 114.21 2ecg h ARG 21 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2ecg h ARG 21 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2ecg h ARG 21 CO 0.00 0.00 -0.20 1.37 -1.07 0.00 0.00 179.97 180.07 2ecg h LEU 22 N -0.58 0.45 -1.75 3.04 -0.00 -1.28 -3.07 115.31 112.12 2ecg h LEU 22 Ca 0.00 -0.50 0.34 0.00 -0.00 0.00 0.00 57.88 57.71 2ecg h LEU 22 Cb 0.20 -0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 40.66 2ecg h LEU 22 CO 0.00 0.86 0.82 1.56 -0.00 0.00 0.00 178.44 181.68 2ecg h GLN 23 N 0.04 0.13 -1.02 0.17 4.20 0.53 0.88 115.11 120.03 2ecg h GLN 23 Ca 0.02 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.42 2ecg h GLN 23 Cb 0.75 -0.03 -0.18 0.00 0.30 0.00 0.00 27.48 28.33 2ecg h GLN 23 CO 0.05 0.08 0.38 -0.85 -0.67 0.00 0.00 178.83 177.82 2ecg n GLU 24 N -4.36 1.73 0.00 1.46 0.28 -1.16 -3.08 120.64 115.51 2ecg n GLU 24 Ca 0.27 -1.73 0.00 0.00 -0.16 0.00 0.00 57.16 55.54 2ecg n GLU 24 Cb 1.17 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 32.37 2ecg n GLU 24 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ecg n GLU 25 N -0.41 1.22 -0.09 3.44 1.02 0.30 -4.88 120.64 121.23 2ecg n GLU 25 Ca 0.34 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.26 2ecg n GLU 25 Cb 1.14 -0.70 -0.12 0.00 -0.02 0.00 0.00 31.44 31.75 2ecg n GLU 25 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2ecg n LYS 26 N -1.29 0.66 -0.62 3.49 2.85 -1.12 -4.98 118.16 117.14 2ecg n LYS 26 Ca 0.00 0.26 -0.28 0.00 -1.05 0.00 0.00 58.31 57.24 2ecg n LYS 26 Cb 0.20 -1.59 0.17 0.00 -0.65 0.00 0.00 35.03 33.15 2ecg n LYS 26 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2ecg n LEU 27 N -3.69 -2.01 -4.34 -5.58 -0.00 -1.18 -4.61 117.00 95.59 2ecg n LEU 27 Ca -0.42 -0.24 -0.43 0.00 -0.00 0.00 0.00 56.01 54.92 2ecg n LEU 27 Cb 0.94 -0.88 -0.01 0.00 -0.00 0.00 0.00 43.42 43.47 2ecg n LEU 27 CO 0.25 -3.17 -0.28 0.00 -0.00 0.00 0.00 177.39 174.19 2ecg n LYS 29 N 1.16 0.86 0.00 0.00 4.01 -1.23 -3.58 118.16 119.38 2ecg n LYS 29 Ca 0.12 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 2ecg n LYS 29 Cb 0.37 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.42 2ecg n LYS 29 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2ecg n ILE 30 N -2.84 0.00 0.11 -0.18 -0.00 -1.26 -4.24 119.36 110.95 2ecg n ILE 30 Ca -0.34 0.68 -0.03 0.00 -0.00 0.00 0.00 62.75 63.06 2ecg n ILE 30 Cb 1.05 -1.35 0.09 0.00 -0.00 0.00 0.00 39.64 39.43 2ecg n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ecg n MET 32 N -3.70 -6.28 0.02 0.00 2.81 -1.23 -4.87 117.12 103.86 2ecg n MET 32 Ca -0.01 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.59 2ecg n MET 32 Cb 0.70 -5.59 0.00 0.00 -0.71 0.00 0.00 33.22 27.61 2ecg n MET 32 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2ecg n ASP 33 N -2.98 0.14 -4.98 7.83 8.00 -1.26 -4.95 116.55 118.35 2ecg n ASP 33 Ca -0.09 0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.25 2ecg n ASP 33 Cb 0.59 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.69 2ecg n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ecg s ARG 34 N -2.00 2.76 0.18 -1.24 0.52 -1.26 -4.96 118.95 112.95 2ecg s ARG 34 Ca 0.00 -0.85 -0.21 0.00 -0.52 0.00 0.00 55.73 54.15 2ecg s ARG 34 Cb 0.00 -2.59 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 2ecg s ARG 34 CO 0.00 -0.45 0.70 -0.80 0.02 0.00 0.00 175.30 174.77 2ecg s ASN 35 N -4.34 7.14 -0.20 0.23 0.01 -1.26 -2.16 114.94 114.35 2ecg s ASN 35 Ca 0.54 1.44 -0.29 0.00 -0.71 0.00 0.00 52.86 53.83 2ecg s ASN 35 Cb -0.10 -2.42 -0.00 0.00 0.41 0.00 0.00 41.25 39.13 2ecg s ASN 35 CO 0.36 0.13 1.17 0.27 -1.51 0.00 0.00 177.10 177.52 2ecg s ILE 36 N -1.35 4.44 -0.04 0.60 -5.25 -1.26 -4.37 121.20 113.97 2ecg s ILE 36 Ca 0.38 1.73 0.11 0.00 -0.99 0.00 0.00 60.65 61.88 2ecg s ILE 36 Cb -0.19 -4.14 0.19 0.00 2.95 0.00 0.00 42.46 41.27 2ecg s ILE 36 CO 0.22 -0.19 1.09 0.00 -1.79 0.00 0.00 174.94 174.27 2ecg n ALA 37 N 6.57 2.28 -3.04 2.27 0.00 -1.25 -4.29 120.51 123.04 2ecg n ALA 37 Ca 0.13 -1.81 -0.11 0.00 0.00 0.00 0.00 53.44 51.65 2ecg n ALA 37 Cb 0.45 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.27 2ecg n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ecg s ILE 38 N -0.76 0.06 0.48 0.00 -1.09 -1.24 -1.89 121.20 116.77 2ecg s ILE 38 Ca 0.17 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.08 2ecg s ILE 38 Cb 0.18 -0.32 -0.01 0.00 -1.58 0.00 0.00 42.46 40.73 2ecg s ILE 38 CO -0.04 -0.29 0.06 0.68 -1.23 0.00 0.00 174.94 174.11 2ecg s VAL 39 N -0.96 0.87 0.19 2.92 -7.23 -0.35 -4.25 120.40 111.59 2ecg s VAL 39 Ca -0.11 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.17 2ecg s VAL 39 Cb -0.06 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2ecg s VAL 39 CO 0.01 0.00 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.22 2ecg s PHE 40 N -3.01 2.36 -0.01 2.82 0.08 -1.25 -3.97 117.98 115.02 2ecg s PHE 40 Ca 0.11 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.86 2ecg s PHE 40 Cb 0.01 -1.16 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2ecg s PHE 40 CO 0.07 0.51 -0.13 0.08 -0.10 0.00 0.00 175.22 175.65 2ecg s VAL 41 N -1.71 1.01 -0.02 -0.44 1.01 -1.25 -2.55 120.40 116.46 2ecg s VAL 41 Ca 0.22 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2ecg s VAL 41 Cb -0.08 -0.85 -0.19 0.00 0.00 0.00 0.00 36.38 35.26 2ecg s VAL 41 CO 0.11 0.27 1.19 1.55 0.00 0.00 0.00 175.10 178.22 2ecg h PRO 42 N 5.78 -0.11 -5.75 2.72 0.13 -1.93 -3.38 132.00 129.46 2ecg h PRO 42 Ca -0.34 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 2ecg h PRO 42 Cb 1.17 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2ecg h PRO 42 CO 0.49 0.34 1.45 0.00 -0.23 0.00 0.00 178.00 180.04 2ecg s GLY 44 N 7.07 1.23 -0.35 0.00 0.00 -1.06 -3.76 107.32 110.45 2ecg s GLY 44 Ca 1.22 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2ecg s GLY 44 CO 0.59 2.26 0.14 0.30 0.00 0.00 0.00 173.10 176.38 2ecg s HIS 45 N 4.57 1.99 0.00 1.90 3.76 -1.26 -4.85 115.29 121.40 2ecg s HIS 45 Ca 0.30 -2.07 -0.03 0.00 -0.15 0.00 0.00 55.06 53.11 2ecg s HIS 45 Cb -0.12 -1.89 -0.13 0.00 1.11 0.00 0.00 32.58 31.55 2ecg s HIS 45 CO 0.16 -0.86 2.72 1.47 -0.85 0.00 0.00 174.74 177.38 2ecg n LEU 46 N 4.39 5.10 -2.01 0.89 -0.00 -1.26 -4.06 117.00 120.06 2ecg n LEU 46 Ca 0.02 -2.70 -0.11 0.00 -0.00 0.00 0.00 56.01 53.22 2ecg n LEU 46 Cb 0.40 -1.23 0.25 0.00 -0.00 0.00 0.00 43.42 42.84 2ecg n LEU 46 CO 0.16 1.30 1.08 1.33 -0.00 0.00 0.00 177.39 181.25 2ecg n VAL 47 N 2.02 2.86 -3.82 1.47 0.24 -1.26 -4.83 118.33 115.01 2ecg n VAL 47 Ca 0.21 -1.59 -0.12 0.00 -2.04 0.00 0.00 64.34 60.79 2ecg n VAL 47 Cb 0.68 -0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 32.53 2ecg n VAL 47 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2ecg s THR 48 N -2.90 0.05 0.24 3.34 -4.23 -1.26 -3.54 115.64 107.34 2ecg s THR 48 Ca 0.52 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 2ecg s THR 48 Cb 0.42 -0.45 -0.03 0.00 1.34 0.00 0.00 72.50 73.78 2ecg s THR 48 CO 0.12 -0.23 0.38 0.00 -0.54 0.00 0.00 174.62 174.35 2ecg n LYS 50 N -1.20 -0.06 0.39 0.00 4.76 -1.26 0.11 118.16 120.90 2ecg n LYS 50 Ca -0.07 1.09 -0.19 0.00 -2.87 0.00 0.00 58.31 56.28 2ecg n LYS 50 Cb 0.56 -1.68 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 2ecg n LYS 50 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2ecg h GLN 51 N 0.00 -1.08 0.71 1.97 4.20 -1.93 -1.91 115.11 117.07 2ecg h GLN 51 Ca 0.38 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 59.13 2ecg h GLN 51 Cb 0.68 0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.71 2ecg h GLN 51 CO -0.71 -0.72 -0.34 0.00 -0.67 0.00 0.00 178.83 176.39 2ecg n ALA 53 N -2.62 0.93 0.01 0.00 0.00 0.30 0.16 120.51 119.29 2ecg n ALA 53 Ca -0.12 0.83 -0.18 0.00 0.00 0.00 0.00 53.44 53.97 2ecg n ALA 53 Cb 0.37 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 2ecg n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ecg h GLU 54 N 0.00 0.39 -0.13 0.00 5.08 -1.21 -3.33 114.58 115.38 2ecg h GLU 54 Ca 0.72 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2ecg h GLU 54 Cb 2.01 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 2ecg h GLU 54 CO -0.59 1.13 0.09 0.00 -1.00 0.00 0.00 179.01 178.64 2ecg h ALA 55 N 0.27 0.17 -2.07 3.43 0.00 0.25 -3.40 119.26 117.92 2ecg h ALA 55 Ca -0.09 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 2ecg h ALA 55 Cb 1.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2ecg h ALA 55 CO 0.13 -0.34 1.05 0.14 0.00 0.00 0.00 179.25 180.22 2ecg s VAL 56 N -6.14 3.88 0.28 0.00 -7.23 0.83 -4.89 120.40 107.12 2ecg s VAL 56 Ca -0.13 1.02 0.02 0.00 -1.81 0.00 0.00 61.98 61.07 2ecg s VAL 56 Cb 0.07 -3.82 0.07 0.00 0.56 0.00 0.00 36.38 33.26 2ecg s VAL 56 CO 0.68 -0.28 1.72 0.44 -0.31 0.00 0.00 175.10 177.36 2ecg h ASP 57 N 9.82 0.52 -4.82 4.85 5.19 -1.84 -3.45 116.42 126.69 2ecg h ASP 57 Ca -0.31 -0.17 -0.25 0.00 -0.62 0.00 0.00 57.03 55.68 2ecg h ASP 57 Cb 1.14 -0.14 -0.21 0.00 0.18 0.00 0.00 39.33 40.30 2ecg h ASP 57 CO 1.00 0.75 -0.72 -1.59 -3.12 0.00 0.00 179.24 175.55 2ecg s LYS 58 N -4.55 0.49 -0.40 3.56 -2.85 -1.26 -2.17 119.74 112.56 2ecg s LYS 58 Ca -0.07 -0.75 -0.37 0.00 -1.00 0.00 0.00 55.97 53.78 2ecg s LYS 58 Cb 0.14 -0.19 -0.16 0.00 -2.06 0.00 0.00 37.83 35.56 2ecg s LYS 58 CO 0.79 0.02 1.46 0.00 0.10 0.00 0.00 175.35 177.73 2ecg n PRO 60 N 4.35 0.49 0.00 0.00 -0.04 -1.26 0.20 135.00 138.73 2ecg n PRO 60 Ca 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2ecg n PRO 60 Cb -0.04 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2ecg n PRO 60 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2ecg n MET 61 N -0.68 0.94 0.00 0.54 2.81 -1.26 -4.77 117.12 114.70 2ecg n MET 61 Ca 0.04 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.99 2ecg n MET 61 Cb 0.02 -0.91 0.03 0.00 -0.71 0.00 0.00 33.22 31.65 2ecg n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ecg n TYR 63 N 0.27 -1.08 -3.19 0.00 4.02 0.52 -4.90 117.16 112.79 2ecg n TYR 63 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 2ecg n TYR 63 Cb 0.25 -2.71 -0.07 0.00 -0.02 0.00 0.00 39.34 36.79 2ecg n TYR 63 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ecg s THR 64 N -2.45 4.96 -0.22 -0.72 2.01 -1.24 -4.69 115.64 113.28 2ecg s THR 64 Ca 0.00 0.29 -0.43 0.00 0.31 0.00 0.00 61.69 61.86 2ecg s THR 64 Cb 0.00 -4.04 -0.20 0.00 0.01 0.00 0.00 72.50 68.27 2ecg s THR 64 CO 0.00 -0.33 1.34 0.52 -0.69 0.00 0.00 174.62 175.46 2ecg n VAL 65 N 5.55 0.02 -2.94 3.82 0.31 -1.26 -1.51 118.33 122.30 2ecg n VAL 65 Ca -0.04 -0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.85 2ecg n VAL 65 Cb 0.48 -0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 2ecg n VAL 65 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ecg s ILE 66 N 1.46 4.74 -0.20 2.52 1.01 -0.92 -4.77 121.20 125.05 2ecg s ILE 66 Ca 0.97 -1.53 0.16 0.00 0.00 0.00 0.00 60.65 60.25 2ecg s ILE 66 Cb -1.34 -4.75 0.08 0.00 0.01 0.00 0.00 42.46 36.46 2ecg s ILE 66 CO 0.67 -1.47 1.41 0.00 0.00 0.00 0.00 174.94 175.54 2ecg h THR 67 N 5.80 0.70 -3.38 2.92 1.03 -1.88 -3.44 112.91 114.65 2ecg h THR 67 Ca 0.12 -2.01 -0.60 0.00 -0.01 0.00 0.00 66.41 63.91 2ecg h THR 67 Cb 1.03 2.31 -0.33 0.00 -1.07 0.00 0.00 68.15 70.09 2ecg h THR 67 CO 1.10 0.40 -0.85 0.12 -0.01 0.00 0.00 175.52 176.27 2ecg s PHE 68 N -3.00 2.01 -0.45 0.00 5.36 -1.26 -5.09 117.98 115.55 2ecg s PHE 68 Ca 0.04 -0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 55.20 2ecg s PHE 68 Cb 0.07 -1.39 0.12 0.00 -0.34 0.00 0.00 43.02 41.48 2ecg s PHE 68 CO 0.74 -0.35 0.24 0.15 -1.46 0.00 0.00 175.22 174.54 2ecg s LYS 69 N 0.50 2.06 0.11 10.12 3.01 -1.26 -3.83 119.74 130.45 2ecg s LYS 69 Ca -0.17 -1.99 -0.13 0.00 -1.01 0.00 0.00 55.97 52.68 2ecg s LYS 69 Cb -0.17 -3.57 -0.06 0.00 -1.01 0.00 0.00 37.83 33.02 2ecg s LYS 69 CO 0.06 -1.08 0.49 -1.14 0.51 0.00 0.00 175.35 174.19 2ecg s GLN 70 N 0.84 3.90 -0.21 1.68 -0.44 -1.25 -4.92 119.66 119.25 2ecg s GLN 70 Ca 0.10 0.38 -0.09 0.00 -2.50 0.00 0.00 55.36 53.25 2ecg s GLN 70 Cb -0.22 -2.99 -0.05 0.00 -1.64 0.00 0.00 33.01 28.12 2ecg s GLN 70 CO -0.04 0.53 0.12 0.21 0.50 0.00 0.00 175.29 176.61 2ecg s LYS 71 N -1.85 4.04 -0.15 1.67 2.20 -1.26 -1.21 119.74 123.18 2ecg s LYS 71 Ca 0.35 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 2ecg s LYS 71 Cb -0.15 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 2ecg s LYS 71 CO 0.18 0.16 -0.13 0.44 -0.36 0.00 0.00 175.35 175.65 2ecg n ILE 72 N 3.93 0.90 -3.48 5.43 -5.35 -0.79 -4.95 119.36 115.04 2ecg n ILE 72 Ca -0.16 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 61.84 2ecg n ILE 72 Cb 0.52 -1.04 -0.01 0.00 -1.74 0.00 0.00 39.64 37.37 2ecg n ILE 72 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 2ecg n PHE 73 N -2.93 -0.44 -0.21 4.28 -1.74 -1.24 -4.66 117.46 110.50 2ecg n PHE 73 Ca -0.27 0.11 -0.02 0.00 -0.56 0.00 0.00 57.45 56.70 2ecg n PHE 73 Cb 0.80 -0.93 -0.00 0.00 1.52 0.00 0.00 39.48 40.87 2ecg n PHE 73 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 2ecg n MET 74 N -2.27 -0.16 0.00 3.97 2.81 -1.26 -5.06 117.12 115.15 2ecg n MET 74 Ca -0.07 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.65 2ecg n MET 74 Cb 0.21 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 2ecg n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93