#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 3.76 0.31 1.61 0.01 -1.26 -5.12 113.70 113.02 2ecg s SER 2 Ca 0.00 -2.18 0.02 0.00 1.31 0.00 0.00 55.95 55.10 2ecg s SER 2 Cb 0.00 -0.92 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 2ecg s SER 2 CO 0.00 -0.33 0.49 -0.44 0.41 0.00 0.00 173.24 173.36 2ecg s SER 3 N 0.93 6.30 0.00 2.44 0.01 -1.26 -5.04 113.70 117.09 2ecg s SER 3 Ca 0.14 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2ecg s SER 3 Cb -0.21 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2ecg s SER 3 CO -0.10 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2ecg n GLY 4 N -1.66 2.84 3.32 3.44 0.00 -1.26 -5.14 105.19 106.73 2ecg n GLY 4 Ca -0.06 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2ecg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ecg s SER 5 N 0.00 3.86 -0.17 1.61 1.04 -1.26 -5.07 113.70 113.71 2ecg s SER 5 Ca 0.00 -0.40 -0.39 0.00 0.48 0.00 0.00 55.95 55.64 2ecg s SER 5 Cb 0.00 -1.59 -0.16 0.00 0.10 0.00 0.00 66.02 64.37 2ecg s SER 5 CO 0.00 0.12 1.63 -1.54 0.98 0.00 0.00 173.24 174.43 2ecg n SER 6 N 3.84 2.21 0.00 7.02 3.41 -1.26 -4.94 113.62 123.90 2ecg n SER 6 Ca -0.19 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2ecg n SER 6 Cb 0.52 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 2ecg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ecg n GLY 7 N 3.72 1.08 3.68 5.00 0.00 -1.26 -5.06 105.19 112.35 2ecg n GLY 7 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.00 5.01 -0.29 1.61 0.01 -1.26 -5.10 113.70 112.68 2ecg s SER 8 Ca 0.00 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2ecg s SER 8 Cb 0.00 -1.21 0.08 0.00 0.21 0.00 0.00 66.02 65.10 2ecg s SER 8 CO 0.00 0.20 0.01 -0.22 0.41 0.00 0.00 173.24 173.64 2ecg s LEU 9 N -2.10 3.31 -0.14 2.44 0.20 -1.26 -5.10 118.68 116.02 2ecg s LEU 9 Ca 0.24 -1.61 -0.03 0.00 0.69 0.00 0.00 54.13 53.42 2ecg s LEU 9 Cb -0.12 -1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 2ecg s LEU 9 CO 0.16 -0.31 -0.05 0.00 -0.29 0.00 0.00 176.35 175.85 2ecg s GLN 10 N 1.25 3.57 -0.21 1.98 -2.07 -1.26 -5.09 119.66 117.82 2ecg s GLN 10 Ca 0.02 -0.55 -0.00 0.00 -1.82 0.00 0.00 55.36 53.02 2ecg s GLN 10 Cb -0.19 -2.85 0.06 0.00 -1.09 0.00 0.00 33.01 28.94 2ecg s GLN 10 CO -0.10 0.27 -0.04 -1.59 -1.32 0.00 0.00 175.29 172.50 2ecg s LYS 11 N 0.27 1.46 0.13 9.60 -2.85 -1.26 -5.12 119.74 121.96 2ecg s LYS 11 Ca -0.04 -0.80 0.07 0.00 -1.00 0.00 0.00 55.97 54.20 2ecg s LYS 11 Cb -0.14 -2.39 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 2ecg s LYS 11 CO 0.03 -0.56 -0.16 -2.00 0.10 0.00 0.00 175.35 172.76 2ecg s GLU 12 N 1.52 1.09 -0.12 1.78 -6.30 -1.26 -5.14 118.70 110.26 2ecg s GLU 12 Ca -0.04 -1.25 -0.08 0.00 -2.50 0.00 0.00 54.97 51.10 2ecg s GLU 12 Cb -0.18 -1.07 -0.04 0.00 0.00 0.00 0.00 34.13 32.84 2ecg s GLU 12 CO -0.07 0.22 0.17 0.42 0.02 0.00 0.00 175.26 176.02 2ecg s ILE 13 N -1.93 5.45 0.87 -3.70 1.01 -1.26 -5.10 121.20 116.54 2ecg s ILE 13 Ca 0.10 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.89 2ecg s ILE 13 Cb -0.06 -3.44 0.14 0.00 0.01 0.00 0.00 42.46 39.11 2ecg s ILE 13 CO 0.04 0.59 1.22 -0.44 0.00 0.00 0.00 174.94 176.35 2ecg s SER 14 N -0.85 3.84 0.34 3.58 0.01 -1.26 -4.82 113.70 114.54 2ecg s SER 14 Ca 0.15 0.41 0.09 0.00 1.31 0.00 0.00 55.95 57.91 2ecg s SER 14 Cb -0.12 -0.69 0.60 0.00 0.21 0.00 0.00 66.02 66.02 2ecg s SER 14 CO 0.04 -2.28 1.78 0.00 0.41 0.00 0.00 173.24 173.20 2ecg h THR 15 N -1.26 1.27 0.32 1.44 1.03 -1.99 -0.64 112.91 113.09 2ecg h THR 15 Ca -0.44 -1.30 -0.01 0.00 -0.01 0.00 0.00 66.41 64.65 2ecg h THR 15 Cb 1.28 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 69.94 2ecg h THR 15 CO 0.50 0.39 -0.24 -0.33 -0.01 0.00 0.00 175.52 175.82 2ecg h GLU 16 N 0.14 -0.54 0.17 0.00 5.08 -1.99 -1.05 114.58 116.39 2ecg h GLU 16 Ca 0.02 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2ecg h GLU 16 Cb 0.68 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2ecg h GLU 16 CO 0.05 -0.36 -0.08 1.49 -1.00 0.00 0.00 179.01 179.10 2ecg h GLU 17 N -0.56 -0.22 -0.91 2.33 4.81 -1.94 -2.55 114.58 115.53 2ecg h GLU 17 Ca -0.02 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 2ecg h GLU 17 Cb 0.49 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 29.75 2ecg h GLU 17 CO -0.00 0.18 -0.12 1.96 -0.73 0.00 0.00 179.01 180.29 2ecg h GLN 18 N -0.89 0.02 -0.11 1.92 4.20 -1.17 0.19 115.11 119.26 2ecg h GLN 18 Ca -0.02 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2ecg h GLN 18 Cb 0.51 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2ecg h GLN 18 CO 0.04 0.01 0.01 -0.07 -0.67 0.00 0.00 178.83 178.15 2ecg h LEU 19 N 0.02 0.19 -0.95 1.46 4.07 -1.27 -2.38 115.31 116.45 2ecg h LEU 19 Ca 0.48 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2ecg h LEU 19 Cb 0.83 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2ecg h LEU 19 CO -0.89 0.42 0.26 -2.11 -1.08 0.00 0.00 178.44 175.04 2ecg n ARG 20 N -4.82 0.10 -0.04 1.13 1.85 0.56 0.18 116.66 115.61 2ecg n ARG 20 Ca -0.06 0.58 -0.21 0.00 -1.00 0.00 0.00 57.85 57.16 2ecg n ARG 20 Cb 0.19 -2.08 -0.13 0.00 -1.05 0.00 0.00 32.46 29.38 2ecg n ARG 20 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ecg h ARG 21 N 0.00 0.13 0.00 2.89 3.08 -0.77 -3.34 114.38 116.38 2ecg h ARG 21 Ca 0.00 -0.23 -0.24 0.00 0.07 0.00 0.00 59.98 59.58 2ecg h ARG 21 Cb 0.53 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2ecg h ARG 21 CO 0.00 1.11 -1.54 1.47 -1.07 0.00 0.00 179.97 179.94 2ecg n LEU 22 N -4.12 1.90 0.26 3.04 -0.00 0.05 -4.04 117.00 114.08 2ecg n LEU 22 Ca -0.27 0.42 0.11 0.00 -0.00 0.00 0.00 56.01 56.26 2ecg n LEU 22 Cb 0.80 -0.87 0.58 0.00 -0.00 0.00 0.00 43.42 43.92 2ecg n LEU 22 CO 0.32 0.18 0.97 1.56 -0.00 0.00 0.00 177.39 180.43 2ecg h GLN 23 N -1.00 0.00 0.00 1.47 4.20 0.16 0.67 115.11 120.61 2ecg h GLN 23 Ca -0.36 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.12 2ecg h GLN 23 Cb 1.24 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 2ecg h GLN 23 CO -0.22 0.00 -1.23 1.05 -0.67 0.00 0.00 178.83 177.76 2ecg h GLU 24 N 0.00 0.00 -0.08 1.46 4.11 -1.67 -2.97 114.58 115.44 2ecg h GLU 24 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ecg h GLU 24 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2ecg h GLU 24 CO 0.00 0.77 0.00 -0.85 0.07 0.00 0.00 179.01 179.00 2ecg n GLU 25 N -3.22 1.53 -0.03 1.06 0.28 0.23 -4.28 120.64 116.21 2ecg n GLU 25 Ca -0.06 -0.79 -0.04 0.00 -0.16 0.00 0.00 57.16 56.11 2ecg n GLU 25 Cb 0.96 -1.42 -0.01 0.00 1.43 0.00 0.00 31.44 32.40 2ecg n GLU 25 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ecg n LYS 26 N -0.02 0.26 -0.26 3.44 5.02 -1.02 -5.04 118.16 120.55 2ecg n LYS 26 Ca 0.18 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.47 2ecg n LYS 26 Cb 0.28 -0.91 0.10 0.00 -0.02 0.00 0.00 35.03 34.47 2ecg n LYS 26 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2ecg n LEU 27 N -3.70 0.00 -4.25 -0.35 -0.00 -1.12 -4.70 117.00 102.87 2ecg n LEU 27 Ca -0.07 -0.30 -0.34 0.00 -0.00 0.00 0.00 56.01 55.31 2ecg n LEU 27 Cb 0.26 -0.46 0.13 0.00 -0.00 0.00 0.00 43.42 43.35 2ecg n LEU 27 CO 0.10 -1.99 -0.72 0.00 -0.00 0.00 0.00 177.39 174.78 2ecg n LYS 29 N -0.98 2.46 0.01 0.00 5.02 -1.20 -4.44 118.16 119.04 2ecg n LYS 29 Ca 0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.29 2ecg n LYS 29 Cb 0.62 -0.79 -0.01 0.00 -0.02 0.00 0.00 35.03 34.83 2ecg n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2ecg h ILE 30 N 0.00 0.00 0.10 -0.18 5.03 -1.94 -3.40 117.51 117.12 2ecg h ILE 30 Ca 0.00 -0.38 -0.33 0.00 -0.12 0.00 0.00 64.86 64.02 2ecg h ILE 30 Cb 0.18 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.95 2ecg h ILE 30 CO 0.00 0.00 -1.80 0.00 -0.68 0.00 0.00 178.15 175.67 2ecg n MET 32 N -3.37 -7.00 -0.00 0.00 2.81 -1.26 -4.90 117.12 103.40 2ecg n MET 32 Ca -0.24 0.79 -0.00 0.00 -1.81 0.00 0.00 57.70 56.44 2ecg n MET 32 Cb 1.05 -5.78 -0.00 0.00 -0.71 0.00 0.00 33.22 27.78 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 -3.04 4.24 -4.42 7.83 9.92 -1.26 -5.01 116.55 124.81 2ecg n ASP 33 Ca -0.12 -0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.86 2ecg n ASP 33 Cb 0.61 0.14 -0.12 0.00 -0.64 0.00 0.00 41.12 41.10 2ecg n ASP 33 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2ecg s ARG 34 N -2.01 1.52 -0.04 -1.24 0.52 -1.26 -5.09 118.95 111.36 2ecg s ARG 34 Ca -0.00 -1.41 -0.30 0.00 -0.52 0.00 0.00 55.73 53.49 2ecg s ARG 34 Cb 0.00 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 2ecg s ARG 34 CO 0.01 0.43 1.28 -0.80 0.02 0.00 0.00 175.30 176.23 2ecg s ASN 35 N -2.40 6.97 -0.04 0.23 -0.87 -1.26 -3.35 114.94 114.22 2ecg s ASN 35 Ca 0.18 1.93 -0.38 0.00 -1.57 0.00 0.00 52.86 53.02 2ecg s ASN 35 Cb -0.09 -2.56 -0.16 0.00 -0.02 0.00 0.00 41.25 38.42 2ecg s ASN 35 CO 0.09 -0.64 1.50 2.30 -2.57 0.00 0.00 177.10 177.77 2ecg n ILE 36 N 4.64 0.12 -0.93 0.60 -6.64 -1.26 -4.74 119.36 111.14 2ecg n ILE 36 Ca 0.12 -0.02 0.01 0.00 -1.77 0.00 0.00 62.75 61.09 2ecg n ILE 36 Cb 0.45 -0.99 0.01 0.00 -1.44 0.00 0.00 39.64 37.68 2ecg n ILE 36 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2ecg n ALA 37 N 3.61 1.54 -3.09 -1.28 0.00 -1.26 -4.94 120.51 115.10 2ecg n ALA 37 Ca 0.21 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 2ecg n ALA 37 Cb 0.17 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.51 0.08 0.47 0.00 -1.09 -1.26 -2.63 121.20 116.26 2ecg s ILE 38 Ca 0.03 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.82 2ecg s ILE 38 Cb 0.03 -0.40 -0.03 0.00 -1.58 0.00 0.00 42.46 40.48 2ecg s ILE 38 CO 0.00 -0.37 0.12 0.68 -1.23 0.00 0.00 174.94 174.14 2ecg s VAL 39 N -1.31 1.72 0.13 2.92 -7.23 -0.79 -4.59 120.40 111.25 2ecg s VAL 39 Ca -0.14 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 2ecg s VAL 39 Cb -0.08 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2ecg s VAL 39 CO 0.01 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 174.45 2ecg s PHE 40 N -2.75 2.94 -0.02 2.82 0.08 -1.24 -4.16 117.98 115.65 2ecg s PHE 40 Ca 0.26 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.28 2ecg s PHE 40 Cb 0.03 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2ecg s PHE 40 CO 0.14 0.49 -0.15 0.08 -0.10 0.00 0.00 175.22 175.69 2ecg s VAL 41 N -1.49 1.20 -0.02 -0.44 1.01 -1.26 -2.08 120.40 117.32 2ecg s VAL 41 Ca 0.27 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2ecg s VAL 41 Cb -0.11 -1.00 -0.20 0.00 0.00 0.00 0.00 36.38 35.07 2ecg s VAL 41 CO 0.19 0.34 1.27 1.55 0.00 0.00 0.00 175.10 178.45 2ecg h PRO 42 N 5.87 0.00 -6.09 2.72 0.13 -1.90 -3.34 132.00 129.40 2ecg h PRO 42 Ca -0.35 -0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.08 2ecg h PRO 42 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ecg h PRO 42 CO 0.49 0.49 1.16 0.00 -0.23 0.00 0.00 178.00 179.91 2ecg s GLY 44 N 5.28 1.86 -0.23 0.00 0.00 -0.88 -3.65 107.32 109.70 2ecg s GLY 44 Ca 1.03 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 43.84 2ecg s GLY 44 CO 0.57 1.36 -0.12 0.30 0.00 0.00 0.00 173.10 175.22 2ecg s HIS 45 N 2.33 2.84 0.00 1.90 3.76 -1.26 -4.81 115.29 120.05 2ecg s HIS 45 Ca 0.11 -1.94 -0.03 0.00 -0.15 0.00 0.00 55.06 53.05 2ecg s HIS 45 Cb -0.22 -1.80 -0.14 0.00 1.11 0.00 0.00 32.58 31.52 2ecg s HIS 45 CO 0.09 -0.82 2.61 1.28 -0.85 0.00 0.00 174.74 177.05 2ecg n LEU 46 N 4.56 4.44 -1.09 0.89 7.99 -1.26 -4.06 117.00 128.48 2ecg n LEU 46 Ca -0.15 -2.49 0.03 0.00 -0.01 0.00 0.00 56.01 53.38 2ecg n LEU 46 Cb 0.45 -1.11 0.24 0.00 -0.11 0.00 0.00 43.42 42.89 2ecg n LEU 46 CO 0.21 1.17 0.74 1.33 -1.51 0.00 0.00 177.39 179.34 2ecg n VAL 47 N 2.22 2.44 -3.72 4.08 0.24 -1.26 -4.62 118.33 117.70 2ecg n VAL 47 Ca 0.23 -2.14 -0.13 0.00 -2.04 0.00 0.00 64.34 60.26 2ecg n VAL 47 Cb 0.65 -0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.99 -0.00 0.43 3.34 -4.23 -1.26 -3.22 115.64 107.72 2ecg s THR 48 Ca 0.44 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2ecg s THR 48 Cb 0.37 -0.62 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 2ecg s THR 48 CO 0.06 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.82 2ecg n LYS 50 N -2.06 -0.07 0.35 0.00 5.02 -1.26 0.48 118.16 120.63 2ecg n LYS 50 Ca -0.01 1.23 -0.14 0.00 -2.02 0.00 0.00 58.31 57.37 2ecg n LYS 50 Cb 0.56 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 2ecg n LYS 50 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2ecg h GLN 51 N 0.00 -0.87 0.38 1.97 7.50 -1.98 -2.29 115.11 119.81 2ecg h GLN 51 Ca 0.49 0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.68 2ecg h GLN 51 Cb 0.98 0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.70 2ecg h GLN 51 CO -0.78 -0.58 -0.35 0.00 -1.50 0.00 0.00 178.83 175.62 2ecg n ALA 53 N -2.62 0.51 -0.02 0.00 0.00 0.18 0.17 120.51 118.73 2ecg n ALA 53 Ca -0.09 0.95 -0.13 0.00 0.00 0.00 0.00 53.44 54.18 2ecg n ALA 53 Cb 0.32 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 0.69 -0.28 0.00 5.08 -0.99 -3.24 114.58 115.84 2ecg h GLU 54 Ca 0.57 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2ecg h GLU 54 Cb 1.23 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2ecg h GLU 54 CO -0.82 1.11 0.18 0.00 -1.00 0.00 0.00 179.01 178.47 2ecg h ALA 55 N 0.77 0.36 -2.27 3.43 0.00 0.47 -3.40 119.26 118.62 2ecg h ALA 55 Ca -0.01 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.28 2ecg h ALA 55 Cb 1.24 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2ecg h ALA 55 CO 0.13 -0.15 0.55 0.14 0.00 0.00 0.00 179.25 179.91 2ecg s VAL 56 N -6.07 4.80 0.29 0.00 -7.23 0.42 -4.93 120.40 107.69 2ecg s VAL 56 Ca -0.13 1.82 0.10 0.00 -1.81 0.00 0.00 61.98 61.96 2ecg s VAL 56 Cb 0.09 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.81 2ecg s VAL 56 CO 0.71 -0.04 1.66 0.44 -0.31 0.00 0.00 175.10 177.55 2ecg h ASP 57 N 7.35 0.05 -4.15 4.85 5.19 -1.82 -3.44 116.42 124.44 2ecg h ASP 57 Ca -0.26 -0.03 -0.36 0.00 -0.62 0.00 0.00 57.03 55.76 2ecg h ASP 57 Cb 1.11 -0.01 -0.27 0.00 0.18 0.00 0.00 39.33 40.34 2ecg h ASP 57 CO 0.88 0.59 -0.77 -1.59 -3.12 0.00 0.00 179.24 175.23 2ecg s LYS 58 N -3.80 0.62 -0.38 3.56 -2.85 -1.26 -0.60 119.74 115.04 2ecg s LYS 58 Ca -0.02 -0.41 -0.35 0.00 -1.00 0.00 0.00 55.97 54.19 2ecg s LYS 58 Cb 0.13 -0.57 -0.15 0.00 -2.06 0.00 0.00 37.83 35.18 2ecg s LYS 58 CO 0.76 0.15 1.34 0.00 0.10 0.00 0.00 175.35 177.70 2ecg n PRO 60 N 3.90 0.49 0.00 0.00 -0.04 -1.26 0.22 135.00 138.30 2ecg n PRO 60 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2ecg n PRO 60 Cb -0.04 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.79 3.04 -0.02 0.54 2.81 -1.26 -4.75 117.12 116.69 2ecg n MET 61 Ca 0.07 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.98 2ecg n MET 61 Cb 0.03 -0.93 0.03 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.11 -1.33 -3.04 0.00 4.02 0.58 -4.86 117.16 112.65 2ecg n TYR 63 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2ecg n TYR 63 Cb 0.15 -1.80 -0.06 0.00 -0.02 0.00 0.00 39.34 37.62 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 -1.99 4.81 0.07 -0.72 2.01 -1.24 -4.70 115.64 113.88 2ecg s THR 64 Ca 0.00 0.67 -0.33 0.00 0.31 0.00 0.00 61.69 62.35 2ecg s THR 64 Cb 0.00 -4.15 -0.17 0.00 0.01 0.00 0.00 72.50 68.19 2ecg s THR 64 CO 0.00 -0.40 0.79 0.52 -0.69 0.00 0.00 174.62 174.84 2ecg n VAL 65 N 5.71 0.70 -3.46 3.82 0.31 -1.26 -1.61 118.33 122.54 2ecg n VAL 65 Ca 0.01 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 2ecg n VAL 65 Cb 0.48 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.35 4.85 -0.24 2.52 1.01 0.23 -4.47 121.20 124.76 2ecg s ILE 66 Ca 0.74 -1.26 0.14 0.00 0.00 0.00 0.00 60.65 60.27 2ecg s ILE 66 Cb -1.05 -3.96 0.61 0.00 0.01 0.00 0.00 42.46 38.07 2ecg s ILE 66 CO 0.52 -0.60 1.55 1.07 0.00 0.00 0.00 174.94 177.48 2ecg n THR 67 N 5.10 2.54 -3.58 2.92 5.66 -1.25 -4.88 114.28 120.78 2ecg n THR 67 Ca -0.12 -1.93 -0.14 0.00 -3.05 0.00 0.00 64.05 58.82 2ecg n THR 67 Cb 0.43 -0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 68.85 2ecg n THR 67 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2ecg s PHE 68 N -2.94 -0.60 -0.40 1.09 5.36 -1.26 -5.07 117.98 114.17 2ecg s PHE 68 Ca 0.47 1.24 0.01 0.00 -0.96 0.00 0.00 56.93 57.69 2ecg s PHE 68 Cb 0.38 0.37 0.13 0.00 -0.34 0.00 0.00 43.02 43.56 2ecg s PHE 68 CO 0.09 -0.42 0.19 0.15 -1.46 0.00 0.00 175.22 173.78 2ecg s LYS 69 N -0.48 1.12 0.24 10.12 3.01 -1.26 -4.11 119.74 128.38 2ecg s LYS 69 Ca -0.03 -1.74 -0.06 0.00 -1.01 0.00 0.00 55.97 53.12 2ecg s LYS 69 Cb -0.02 -2.25 -0.06 0.00 -1.01 0.00 0.00 37.83 34.49 2ecg s LYS 69 CO 0.03 -1.11 0.51 -1.14 0.51 0.00 0.00 175.35 174.15 2ecg s GLN 70 N 0.72 3.68 0.14 1.68 -0.44 -1.26 -4.96 119.66 119.21 2ecg s GLN 70 Ca 0.15 0.06 -0.01 0.00 -2.50 0.00 0.00 55.36 53.06 2ecg s GLN 70 Cb -0.23 -2.69 -0.04 0.00 -1.64 0.00 0.00 33.01 28.41 2ecg s GLN 70 CO -0.06 0.30 0.32 0.21 0.50 0.00 0.00 175.29 176.56 2ecg s LYS 71 N -3.15 3.52 0.49 1.67 2.20 -1.26 -1.89 119.74 121.31 2ecg s LYS 71 Ca 0.44 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 2ecg s LYS 71 Cb -0.11 -2.91 0.03 0.00 -1.51 0.00 0.00 37.83 33.32 2ecg s LYS 71 CO 0.26 0.49 0.23 0.44 -0.36 0.00 0.00 175.35 176.41 2ecg n ILE 72 N -0.15 0.00 -3.19 5.43 -6.64 -1.08 -4.90 119.36 108.83 2ecg n ILE 72 Ca -0.04 -2.06 0.01 0.00 -1.77 0.00 0.00 62.75 58.89 2ecg n ILE 72 Cb 0.52 0.12 -0.02 0.00 -1.44 0.00 0.00 39.64 38.83 2ecg n ILE 72 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 2ecg s PHE 73 N -2.55 -1.52 0.00 4.28 0.08 -1.26 -4.94 117.98 112.06 2ecg s PHE 73 Ca 0.17 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.47 2ecg s PHE 73 Cb -0.01 0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.77 2ecg s PHE 73 CO 0.11 -0.94 0.00 -1.33 -0.10 0.00 0.00 175.22 172.96 2ecg n MET 74 N 5.41 1.66 0.00 0.44 2.81 -1.26 -5.23 117.12 120.95 2ecg n MET 74 Ca 0.01 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.93 2ecg n MET 74 Cb 0.52 -0.96 0.20 0.00 -0.71 0.00 0.00 33.22 32.27 2ecg n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91