#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 0.16 0.18 1.61 0.01 -1.26 -5.18 113.70 109.22 2ecg s SER 2 Ca 0.00 -1.01 -0.21 0.00 1.31 0.00 0.00 55.95 56.04 2ecg s SER 2 Cb 0.00 0.37 0.05 0.00 0.21 0.00 0.00 66.02 66.66 2ecg s SER 2 CO 0.00 -0.82 0.58 -0.94 0.41 0.00 0.00 173.24 172.47 2ecg s SER 3 N -3.00 -0.43 0.00 2.44 1.04 -1.26 -5.10 113.70 107.39 2ecg s SER 3 Ca 0.20 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2ecg s SER 3 Cb 0.05 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2ecg s SER 3 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2ecg n GLY 4 N -0.37 -1.62 3.39 7.32 0.00 -1.26 -5.09 105.19 107.56 2ecg n GLY 4 Ca -0.14 0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.94 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 7.12 -0.29 1.61 1.04 -1.26 -4.93 113.70 116.99 2ecg s SER 5 Ca 0.00 -3.16 -0.15 0.00 0.48 0.00 0.00 55.95 53.12 2ecg s SER 5 Cb 0.00 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.94 2ecg s SER 5 CO 0.00 -0.54 0.81 -0.55 0.98 0.00 0.00 173.24 173.93 2ecg s SER 6 N 2.14 -0.80 -0.30 7.02 0.15 -1.26 -5.14 113.70 115.51 2ecg s SER 6 Ca 0.34 1.23 -0.00 0.00 0.70 0.00 0.00 55.95 58.21 2ecg s SER 6 Cb -0.07 1.48 0.19 0.00 -1.71 0.00 0.00 66.02 65.92 2ecg s SER 6 CO -0.05 -0.19 0.68 -0.83 1.20 0.00 0.00 173.24 174.05 2ecg s GLY 7 N 1.79 -1.04 -0.44 9.45 0.00 -1.26 -5.11 107.32 110.71 2ecg s GLY 7 Ca -0.08 1.65 0.04 0.00 0.00 0.00 0.00 44.72 46.32 2ecg s GLY 7 CO -0.18 3.61 0.17 -0.45 0.00 0.00 0.00 173.10 176.25 2ecg s SER 8 N 2.87 4.57 -0.24 1.64 0.15 -1.26 -5.04 113.70 116.39 2ecg s SER 8 Ca 0.15 -2.62 -0.04 0.00 0.70 0.00 0.00 55.95 54.14 2ecg s SER 8 Cb -0.11 -1.65 0.13 0.00 -1.71 0.00 0.00 66.02 62.67 2ecg s SER 8 CO -0.22 -0.31 0.41 -0.22 1.20 0.00 0.00 173.24 174.10 2ecg s LEU 9 N 0.26 -0.71 0.30 3.45 2.96 -1.26 -5.14 118.68 118.54 2ecg s LEU 9 Ca 0.14 0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 54.27 2ecg s LEU 9 Cb -0.23 1.28 -0.13 0.00 0.50 0.00 0.00 46.19 47.61 2ecg s LEU 9 CO -0.04 -0.28 1.21 0.00 -1.32 0.00 0.00 176.35 175.93 2ecg n GLN 10 N 5.38 1.80 -3.93 1.98 0.00 -1.26 -4.99 117.38 116.35 2ecg n GLN 10 Ca -0.05 0.63 -0.24 0.00 0.00 0.00 0.00 57.00 57.34 2ecg n GLN 10 Cb 0.50 -2.15 -0.17 0.00 0.00 0.00 0.00 30.24 28.42 2ecg n GLN 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2ecg s LYS 11 N -1.42 1.07 0.37 2.61 -2.85 -1.26 -5.14 119.74 113.12 2ecg s LYS 11 Ca 0.60 -0.09 0.04 0.00 -1.00 0.00 0.00 55.97 55.51 2ecg s LYS 11 Cb -0.64 -1.22 -0.04 0.00 -2.06 0.00 0.00 37.83 33.87 2ecg s LYS 11 CO 0.59 -0.24 0.11 -2.00 0.10 0.00 0.00 175.35 173.91 2ecg s GLU 12 N 1.64 1.80 0.26 1.78 2.12 -1.26 -5.15 118.70 119.88 2ecg s GLU 12 Ca 0.02 -2.06 -0.14 0.00 0.36 0.00 0.00 54.97 53.15 2ecg s GLU 12 Cb -0.13 -0.60 -0.08 0.00 0.26 0.00 0.00 34.13 33.59 2ecg s GLU 12 CO -0.05 -0.40 0.65 0.42 -0.54 0.00 0.00 175.26 175.34 2ecg s ILE 13 N -3.31 4.78 0.27 -3.70 1.01 -1.26 -5.08 121.20 113.91 2ecg s ILE 13 Ca 0.29 0.81 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 2ecg s ILE 13 Cb 0.05 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2ecg s ILE 13 CO 0.15 -0.04 0.51 -0.44 0.00 0.00 0.00 174.94 175.11 2ecg s SER 14 N -2.15 6.42 0.31 3.58 0.01 -1.26 -4.89 113.70 115.71 2ecg s SER 14 Ca 0.48 0.61 0.07 0.00 1.31 0.00 0.00 55.95 58.42 2ecg s SER 14 Cb -0.12 -2.10 0.84 0.00 0.21 0.00 0.00 66.02 64.85 2ecg s SER 14 CO 0.19 -0.16 1.68 0.00 0.41 0.00 0.00 173.24 175.36 2ecg h THR 15 N 1.37 0.38 -0.38 1.44 1.03 -1.98 -0.61 112.91 114.17 2ecg h THR 15 Ca -0.48 -0.12 0.04 0.00 -0.01 0.00 0.00 66.41 65.85 2ecg h THR 15 Cb 1.19 0.01 -0.07 0.00 -1.07 0.00 0.00 68.15 68.21 2ecg h THR 15 CO 0.66 0.06 -0.49 -0.33 -0.01 0.00 0.00 175.52 175.42 2ecg h GLU 16 N 0.34 -0.32 0.56 0.00 5.08 -1.99 0.28 114.58 118.53 2ecg h GLU 16 Ca 0.62 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.97 2ecg h GLU 16 Cb 1.26 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.59 2ecg h GLU 16 CO -0.58 -0.21 -0.27 1.49 -1.00 0.00 0.00 179.01 178.44 2ecg h GLU 17 N -0.33 -0.72 -0.62 2.33 4.81 -1.68 -1.82 114.58 116.54 2ecg h GLU 17 Ca 0.07 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2ecg h GLU 17 Cb 0.51 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.98 2ecg h GLU 17 CO -0.54 -0.43 -0.37 1.04 -0.73 0.00 0.00 179.01 177.99 2ecg n GLN 18 N -5.29 -0.27 -0.31 1.92 6.02 -0.34 0.00 117.38 119.11 2ecg n GLN 18 Ca -0.10 1.31 0.03 0.00 -0.01 0.00 0.00 57.00 58.23 2ecg n GLN 18 Cb 0.32 -1.94 0.17 0.00 1.02 0.00 0.00 30.24 29.82 2ecg n GLN 18 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ecg h LEU 19 N 0.00 0.74 -0.55 1.08 4.07 -0.54 0.17 115.31 120.28 2ecg h LEU 19 Ca 0.10 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2ecg h LEU 19 Cb 0.26 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2ecg h LEU 19 CO -0.59 0.43 0.09 0.54 -1.08 0.00 0.00 178.44 177.83 2ecg n ARG 20 N -4.70 0.05 -0.10 1.13 5.12 0.10 0.14 116.66 118.40 2ecg n ARG 20 Ca 0.14 0.51 -0.20 0.00 -1.93 0.00 0.00 57.85 56.37 2ecg n ARG 20 Cb 0.27 -1.76 -0.10 0.00 -1.16 0.00 0.00 32.46 29.71 2ecg n ARG 20 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ecg n ARG 21 N -1.76 0.55 -0.06 5.56 1.74 0.59 -4.14 116.66 119.13 2ecg n ARG 21 Ca -0.01 0.52 -0.17 0.00 -0.77 0.00 0.00 57.85 57.42 2ecg n ARG 21 Cb 0.10 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 29.71 2ecg n ARG 21 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 2ecg h LEU 22 N -1.00 0.07 -1.46 0.55 -0.00 -1.21 -3.31 115.31 108.95 2ecg h LEU 22 Ca -0.35 -0.84 0.02 0.00 -0.00 0.00 0.00 57.88 56.71 2ecg h LEU 22 Cb 1.24 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2ecg h LEU 22 CO -0.21 1.23 0.54 1.56 -0.00 0.00 0.00 178.44 181.56 2ecg h GLN 23 N -0.89 0.00 -0.76 0.17 4.20 0.93 1.16 115.11 119.91 2ecg h GLN 23 Ca -0.14 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 2ecg h GLN 23 Cb 1.20 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.88 2ecg h GLN 23 CO -0.04 0.00 0.22 -0.85 -0.67 0.00 0.00 178.83 177.49 2ecg n GLU 24 N -2.87 3.65 0.00 1.46 0.28 -1.24 -3.40 120.64 118.52 2ecg n GLU 24 Ca 0.00 -2.81 0.00 0.00 -0.16 0.00 0.00 57.16 54.19 2ecg n GLU 24 Cb 0.60 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.32 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 -0.01 2.55 -0.13 3.44 1.02 0.40 -4.86 120.64 123.05 2ecg n GLU 25 Ca 0.36 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.24 2ecg n GLU 25 Cb 1.28 -0.85 -0.11 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 -1.42 0.61 -0.85 3.49 2.85 -1.18 -5.00 118.16 116.67 2ecg n LYS 26 Ca 0.00 0.28 -0.32 0.00 -1.05 0.00 0.00 58.31 57.21 2ecg n LYS 26 Cb 0.26 -1.54 0.08 0.00 -0.65 0.00 0.00 35.03 33.18 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 -4.01 -2.61 -4.10 -5.58 -0.00 -1.22 -4.51 117.00 94.97 2ecg n LEU 27 Ca -0.49 -0.07 -0.36 0.00 -0.00 0.00 0.00 56.01 55.09 2ecg n LEU 27 Cb 0.89 -0.64 0.07 0.00 -0.00 0.00 0.00 43.42 43.73 2ecg n LEU 27 CO 0.12 -2.67 -1.22 0.00 -0.00 0.00 0.00 177.39 173.63 2ecg n LYS 29 N 1.28 3.48 0.07 0.00 5.02 -0.96 -4.25 118.16 122.80 2ecg n LYS 29 Ca -0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2ecg n LYS 29 Cb 0.61 -0.98 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 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 0.15 -0.18 5.03 -1.93 -3.39 117.51 117.19 2ecg h ILE 30 Ca 0.00 -0.22 -0.34 0.00 -0.12 0.00 0.00 64.86 64.19 2ecg h ILE 30 Cb 0.97 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 2ecg h ILE 30 CO 0.00 0.00 -1.70 0.00 -0.68 0.00 0.00 178.15 175.77 2ecg n MET 32 N -3.52 -7.27 -0.08 0.00 2.81 -1.26 -4.92 117.12 102.87 2ecg n MET 32 Ca -0.22 0.76 -0.17 0.00 -1.81 0.00 0.00 57.70 56.25 2ecg n MET 32 Cb 1.06 -5.60 -0.06 0.00 -0.71 0.00 0.00 33.22 27.91 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 -2.65 1.36 -4.81 7.83 9.92 -1.26 -4.97 116.55 121.96 2ecg n ASP 33 Ca -0.00 0.23 -0.27 0.00 -0.53 0.00 0.00 54.79 54.21 2ecg n ASP 33 Cb 0.56 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.44 2ecg n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ecg s ARG 34 N -2.38 2.23 0.38 -1.24 1.70 -1.26 -5.03 118.95 113.35 2ecg s ARG 34 Ca -0.25 -2.05 -0.20 0.00 -0.47 0.00 0.00 55.73 52.77 2ecg s ARG 34 Cb 0.09 -1.92 -0.10 0.00 -0.57 0.00 0.00 34.95 32.44 2ecg s ARG 34 CO 0.32 -0.38 0.88 0.54 -1.08 0.00 0.00 175.30 175.58 2ecg s ASN 35 N -4.05 6.94 -0.13 -2.89 2.20 -1.26 -2.60 114.94 113.14 2ecg s ASN 35 Ca 0.30 1.58 -0.29 0.00 -0.94 0.00 0.00 52.86 53.51 2ecg s ASN 35 Cb 0.01 -2.49 -0.02 0.00 -2.00 0.00 0.00 41.25 36.74 2ecg s ASN 35 CO 0.17 -0.28 1.25 0.27 -2.94 0.00 0.00 177.10 175.58 2ecg s ILE 36 N -2.05 4.26 -0.05 0.54 -5.25 -1.26 -4.57 121.20 112.82 2ecg s ILE 36 Ca 0.58 1.55 0.21 0.00 -0.99 0.00 0.00 60.65 61.99 2ecg s ILE 36 Cb -0.11 -4.00 0.40 0.00 2.95 0.00 0.00 42.46 41.70 2ecg s ILE 36 CO 0.15 -0.10 1.17 0.00 -1.79 0.00 0.00 174.94 174.38 2ecg n ALA 37 N 6.22 2.63 -3.17 2.27 0.00 -1.26 -4.97 120.51 122.24 2ecg n ALA 37 Ca 0.13 -2.49 -0.13 0.00 0.00 0.00 0.00 53.44 50.96 2ecg n ALA 37 Cb 0.45 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.81 0.03 0.53 0.00 -1.09 -1.25 -4.07 121.20 114.54 2ecg s ILE 38 Ca 0.33 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 2ecg s ILE 38 Cb 0.36 -0.46 0.02 0.00 -1.58 0.00 0.00 42.46 40.80 2ecg s ILE 38 CO -0.13 -0.14 0.26 0.68 -1.23 0.00 0.00 174.94 174.38 2ecg s VAL 39 N -0.52 1.46 0.18 2.92 -7.23 -0.18 -4.48 120.40 112.55 2ecg s VAL 39 Ca -0.06 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.52 2ecg s VAL 39 Cb -0.04 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2ecg s VAL 39 CO 0.02 0.00 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.32 2ecg s PHE 40 N -2.81 2.58 -0.02 2.82 0.08 -1.23 -4.03 117.98 115.35 2ecg s PHE 40 Ca 0.23 -0.24 0.04 0.00 0.12 0.00 0.00 56.93 57.07 2ecg s PHE 40 Cb -0.01 -1.27 -0.00 0.00 -0.57 0.00 0.00 43.02 41.17 2ecg s PHE 40 CO 0.14 0.50 -0.13 0.08 -0.10 0.00 0.00 175.22 175.71 2ecg s VAL 41 N -1.66 1.10 -0.02 -0.44 1.01 -1.26 -2.17 120.40 116.95 2ecg s VAL 41 Ca 0.24 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2ecg s VAL 41 Cb -0.09 -0.94 -0.19 0.00 0.00 0.00 0.00 36.38 35.16 2ecg s VAL 41 CO 0.14 0.32 1.22 1.55 0.00 0.00 0.00 175.10 178.33 2ecg h PRO 42 N 6.10 -0.06 -6.10 2.72 0.13 -1.90 -3.34 132.00 129.56 2ecg h PRO 42 Ca -0.34 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.08 2ecg h PRO 42 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ecg h PRO 42 CO 0.48 0.40 1.07 0.00 -0.23 0.00 0.00 178.00 179.73 2ecg s GLY 44 N 4.68 1.82 -0.20 0.00 0.00 -0.92 -3.54 107.32 109.15 2ecg s GLY 44 Ca 1.02 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 43.95 2ecg s GLY 44 CO 0.61 1.40 -0.07 0.30 0.00 0.00 0.00 173.10 175.34 2ecg s HIS 45 N 2.46 2.25 -1.41 1.90 3.76 -1.26 -4.78 115.29 118.20 2ecg s HIS 45 Ca 0.13 -1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 53.40 2ecg s HIS 45 Cb -0.20 -1.55 0.07 0.00 1.11 0.00 0.00 32.58 32.01 2ecg s HIS 45 CO 0.11 -0.73 2.26 1.28 -0.85 0.00 0.00 174.74 176.81 2ecg n LEU 46 N 4.72 7.26 -0.01 0.89 7.99 -1.26 -4.15 117.00 132.45 2ecg n LEU 46 Ca -0.13 -4.43 0.00 0.00 -0.01 0.00 0.00 56.01 51.44 2ecg n LEU 46 Cb 0.46 -1.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.22 2ecg n LEU 46 CO 0.19 1.47 0.29 1.33 -1.51 0.00 0.00 177.39 179.16 2ecg n VAL 47 N 3.87 0.16 -4.18 4.08 0.24 -1.26 -4.92 118.33 116.32 2ecg n VAL 47 Ca 0.54 -0.58 -0.17 0.00 -2.04 0.00 0.00 64.34 62.09 2ecg n VAL 47 Cb 0.34 0.92 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.17 1.07 0.41 3.34 -4.23 -1.26 -2.26 115.64 112.54 2ecg s THR 48 Ca 0.00 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2ecg s THR 48 Cb 0.00 -1.19 0.09 0.00 1.34 0.00 0.00 72.50 72.74 2ecg s THR 48 CO 0.00 -0.35 0.56 0.00 -0.54 0.00 0.00 174.62 174.29 2ecg h LYS 50 N 0.00 0.87 0.58 0.00 1.63 -1.88 0.30 116.57 118.06 2ecg h LYS 50 Ca -0.18 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.53 2ecg h LYS 50 Cb 0.62 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2ecg h LYS 50 CO 0.18 0.58 -0.28 1.96 -3.45 0.00 0.00 179.45 178.44 2ecg h GLN 51 N 0.89 -0.75 0.33 1.90 7.50 -1.96 -3.05 115.11 119.97 2ecg h GLN 51 Ca 0.24 0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.44 2ecg h GLN 51 Cb -0.09 0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 2ecg h GLN 51 CO -0.05 -0.50 -0.42 0.00 -1.50 0.00 0.00 178.83 176.36 2ecg n ALA 53 N -2.76 0.44 -0.02 0.00 0.00 0.11 0.14 120.51 118.41 2ecg n ALA 53 Ca -0.10 0.85 -0.17 0.00 0.00 0.00 0.00 53.44 54.03 2ecg n ALA 53 Cb 0.40 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 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 0.60 -0.05 0.00 5.08 -1.30 -3.30 114.58 115.61 2ecg h GLU 54 Ca 0.50 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2ecg h GLU 54 Cb 1.05 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2ecg h GLU 54 CO -0.74 1.14 -0.10 0.00 -1.00 0.00 0.00 179.01 178.30 2ecg h ALA 55 N 0.47 -0.07 -2.28 3.43 0.00 0.27 -3.40 119.26 117.69 2ecg h ALA 55 Ca -0.05 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 2ecg h ALA 55 Cb 1.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2ecg h ALA 55 CO 0.13 -0.58 1.04 0.14 0.00 0.00 0.00 179.25 179.98 2ecg s VAL 56 N -6.16 3.61 0.22 0.00 -7.23 0.79 -4.89 120.40 106.72 2ecg s VAL 56 Ca -0.14 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 2ecg s VAL 56 Cb 0.09 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2ecg s VAL 56 CO 0.67 -0.06 1.54 0.44 -0.31 0.00 0.00 175.10 177.38 2ecg h ASP 57 N 9.14 0.46 -4.24 4.85 3.32 -1.85 -3.45 116.42 124.64 2ecg h ASP 57 Ca -0.38 -0.25 -0.26 0.00 0.02 0.00 0.00 57.03 56.16 2ecg h ASP 57 Cb 1.17 -0.13 -0.25 0.00 0.22 0.00 0.00 39.33 40.34 2ecg h ASP 57 CO 0.95 0.92 -0.73 -1.59 -1.72 0.00 0.00 179.24 177.07 2ecg s LYS 58 N -3.91 0.31 -0.37 3.56 -2.85 -1.26 -0.61 119.74 114.61 2ecg s LYS 58 Ca -0.06 -0.34 -0.35 0.00 -1.00 0.00 0.00 55.97 54.22 2ecg s LYS 58 Cb 0.12 -0.18 -0.15 0.00 -2.06 0.00 0.00 37.83 35.56 2ecg s LYS 58 CO 0.82 0.04 1.23 0.00 0.10 0.00 0.00 175.35 177.54 2ecg n PRO 60 N 3.26 0.49 0.00 0.00 -0.04 -1.26 0.22 135.00 137.66 2ecg n PRO 60 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2ecg n PRO 60 Cb -0.04 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.78 0.73 -0.01 0.54 2.81 -1.26 -4.76 117.12 114.38 2ecg n MET 61 Ca 0.07 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.01 2ecg n MET 61 Cb 0.03 -0.95 0.05 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 0.55 -1.62 -3.04 0.00 4.02 0.58 -4.88 117.16 112.77 2ecg n TYR 63 Ca 0.06 0.03 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 2ecg n TYR 63 Cb 0.26 -2.20 -0.06 0.00 -0.02 0.00 0.00 39.34 37.33 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 -2.44 4.81 -0.49 -0.72 2.01 -1.24 -4.67 115.64 112.90 2ecg s THR 64 Ca 0.03 0.69 -0.45 0.00 0.31 0.00 0.00 61.69 62.27 2ecg s THR 64 Cb -0.02 -4.14 -0.19 0.00 0.01 0.00 0.00 72.50 68.16 2ecg s THR 64 CO 0.04 -0.39 1.79 0.52 -0.69 0.00 0.00 174.62 175.89 2ecg n VAL 65 N 5.70 0.00 -2.75 3.82 0.31 -1.26 -1.65 118.33 122.50 2ecg n VAL 65 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2ecg n VAL 65 Cb 0.48 -0.49 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 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 4.16 4.23 -0.45 2.52 1.01 0.22 -4.59 121.20 128.30 2ecg s ILE 66 Ca 1.09 -0.67 0.11 0.00 0.00 0.00 0.00 60.65 61.18 2ecg s ILE 66 Cb -1.47 -4.85 0.65 0.00 0.01 0.00 0.00 42.46 36.81 2ecg s ILE 66 CO 0.74 -1.66 1.49 1.07 0.00 0.00 0.00 174.94 176.58 2ecg n THR 67 N 6.12 2.16 -3.50 2.92 5.66 -1.25 -4.87 114.28 121.52 2ecg n THR 67 Ca 0.14 -1.10 -0.11 0.00 -3.05 0.00 0.00 64.05 59.93 2ecg n THR 67 Cb 0.48 -0.30 -0.03 0.00 -1.55 0.00 0.00 70.33 68.93 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 -2.37 -0.45 -0.42 1.09 5.36 -1.26 -5.07 117.98 114.86 2ecg s PHE 68 Ca 0.43 0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.88 2ecg s PHE 68 Cb 0.33 0.51 0.14 0.00 -0.34 0.00 0.00 43.02 43.66 2ecg s PHE 68 CO 0.13 -0.59 0.25 0.15 -1.46 0.00 0.00 175.22 173.70 2ecg s LYS 69 N -2.61 1.07 0.42 10.12 3.01 -1.26 -4.25 119.74 126.25 2ecg s LYS 69 Ca 0.00 -1.87 -0.06 0.00 -1.01 0.00 0.00 55.97 53.03 2ecg s LYS 69 Cb -0.01 -1.97 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 2ecg s LYS 69 CO -0.05 -1.21 0.73 -1.14 0.51 0.00 0.00 175.35 174.19 2ecg s GLN 70 N 0.46 3.60 0.03 1.68 2.00 -1.26 -4.93 119.66 121.24 2ecg s GLN 70 Ca 0.20 0.18 0.09 0.00 -2.00 0.00 0.00 55.36 53.83 2ecg s GLN 70 Cb -0.20 -2.44 -0.03 0.00 0.80 0.00 0.00 33.01 31.14 2ecg s GLN 70 CO -0.03 -0.07 -0.26 0.15 -0.50 0.00 0.00 175.29 174.58 2ecg s LYS 71 N -4.33 1.82 0.38 1.67 1.02 -1.26 -1.01 119.74 118.03 2ecg s LYS 71 Ca 0.47 -1.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 2ecg s LYS 71 Cb -0.10 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2ecg s LYS 71 CO 0.39 0.51 0.60 0.96 -0.92 0.00 0.00 175.35 176.88 2ecg s ILE 72 N -0.77 5.03 -0.31 2.17 -0.00 -1.26 -4.95 121.20 121.11 2ecg s ILE 72 Ca 0.11 -0.34 0.13 0.00 -0.00 0.00 0.00 60.65 60.55 2ecg s ILE 72 Cb -0.10 -3.85 0.47 0.00 -0.00 0.00 0.00 42.46 38.98 2ecg s ILE 72 CO 0.01 -0.61 1.12 0.49 -0.00 0.00 0.00 174.94 175.96 2ecg n PHE 73 N -1.89 2.20 -0.26 1.37 3.72 -1.26 -4.91 117.46 116.44 2ecg n PHE 73 Ca -0.04 -2.42 0.14 0.00 -0.05 0.00 0.00 57.45 55.08 2ecg n PHE 73 Cb 0.56 -0.27 0.27 0.00 -0.94 0.00 0.00 39.48 39.10 2ecg n PHE 73 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2ecg n MET 74 N -0.55 -0.06 0.00 -1.08 2.81 -1.26 -5.32 117.12 111.66 2ecg n MET 74 Ca 0.27 1.11 0.09 0.00 -1.81 0.00 0.00 57.70 57.36 2ecg n MET 74 Cb 0.85 -1.80 0.07 0.00 -0.71 0.00 0.00 33.22 31.63 2ecg n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93