#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png s ASP 2 N 0.00 6.54 -0.17 1.61 2.15 -1.26 -4.72 116.67 120.82 2png s ASP 2 Ca 0.00 -2.67 -0.02 0.00 0.43 0.00 0.00 52.55 50.28 2png s ASP 2 Cb 0.00 -2.16 -0.09 0.00 -0.30 0.00 0.00 42.92 40.36 2png s ASP 2 CO 0.00 -0.56 -0.17 0.61 -0.17 0.00 0.00 175.17 174.88 2png n GLY 3 N 3.97 -0.24 3.43 2.66 0.00 -1.26 -4.79 105.19 108.95 2png n GLY 3 Ca 0.12 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 2png n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2png s GLU 4 N -2.32 3.38 0.34 1.61 2.02 -1.26 -5.01 118.70 117.46 2png s GLU 4 Ca -0.23 -1.52 -0.29 0.00 0.02 0.00 0.00 54.97 52.95 2png s GLU 4 Cb 0.07 -4.59 -0.11 0.00 0.10 0.00 0.00 34.13 29.59 2png s GLU 4 CO 0.35 -1.70 1.51 0.00 0.02 0.00 0.00 175.26 175.44 2png s ALA 5 N 2.79 3.63 -0.13 5.21 0.00 -1.26 -4.90 121.76 127.10 2png s ALA 5 Ca 0.25 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.46 2png s ALA 5 Cb -0.12 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 2png s ALA 5 CO -0.02 -1.00 1.77 -1.14 0.00 0.00 0.00 175.76 175.37 2png s GLN 6 N -1.44 3.88 0.80 0.00 0.74 -1.26 -4.98 119.66 117.40 2png s GLN 6 Ca 0.57 2.02 -0.11 0.00 0.05 0.00 0.00 55.36 57.89 2png s GLN 6 Cb -0.46 -4.09 0.07 0.00 1.10 0.00 0.00 33.01 29.63 2png s GLN 6 CO 0.56 -1.21 1.09 -0.98 -0.55 0.00 0.00 175.29 174.20 2png s ARG 7 N 4.67 2.06 0.62 1.67 1.70 -1.26 -4.99 118.95 123.41 2png s ARG 7 Ca 0.79 0.80 -0.18 0.00 -0.47 0.00 0.00 55.73 56.67 2png s ARG 7 Cb -0.31 -1.90 -0.02 0.00 -0.57 0.00 0.00 34.95 32.14 2png s ARG 7 CO 0.32 -1.68 1.18 -0.51 -1.08 0.00 0.00 175.30 173.53 2png s ASP 8 N -3.71 5.06 0.16 -2.89 1.01 -1.26 -4.88 116.67 110.17 2png s ASP 8 Ca 0.61 2.30 -0.15 0.00 0.71 0.00 0.00 52.55 56.02 2png s ASP 8 Cb -0.15 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.24 2png s ASP 8 CO 0.55 -1.67 1.80 -0.07 0.21 0.00 0.00 175.17 175.99 2png h LEU 9 N 0.59 0.42 -1.37 1.23 -0.00 -1.86 -0.73 115.31 113.59 2png h LEU 9 Ca -0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.33 2png h LEU 9 Cb 1.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 2png h LEU 9 CO 0.54 0.30 -0.30 0.58 -0.00 0.00 0.00 178.44 179.56 2png h VAL 10 N 0.52 0.99 0.00 1.22 2.07 -1.88 0.20 116.25 119.37 2png h VAL 10 Ca 0.17 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 2png h VAL 10 Cb 0.00 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2png h VAL 10 CO -0.08 0.29 -0.18 0.11 0.02 0.00 0.00 177.57 177.74 2png h LYS 11 N 0.00 0.00 0.02 1.57 1.79 -1.51 0.79 116.57 119.23 2png h LYS 11 Ca -0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 2png h LYS 11 Cb 0.62 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 2png h LYS 11 CO 0.04 0.18 -2.00 0.00 -1.08 0.00 0.00 179.45 176.59 2png n ALA 12 N -2.21 1.04 -0.04 3.86 0.00 -0.80 -3.89 120.51 118.48 2png n ALA 12 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 2png n ALA 12 Cb 0.39 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 2png n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2png h VAL 13 N -0.64 1.41 0.00 0.00 2.07 -0.58 -3.09 116.25 115.41 2png h VAL 13 Ca -0.51 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 2png h VAL 13 Cb 1.64 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2png h VAL 13 CO -0.20 0.39 -0.00 0.00 0.02 0.00 0.00 177.57 177.77 2png h ALA 14 N 0.50 1.00 0.00 1.67 0.00 -1.04 -0.89 119.26 120.50 2png h ALA 14 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2png h ALA 14 Cb 0.69 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2png h ALA 14 CO 0.03 0.00 -0.09 1.25 0.00 0.00 0.00 179.25 180.43 2png h HIS 15 N 0.00 0.00 0.19 0.00 6.17 -1.61 0.28 115.15 120.18 2png h HIS 15 Ca -0.00 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.82 2png h HIS 15 Cb 0.47 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.42 2png h HIS 15 CO 0.00 0.09 -1.18 0.82 0.71 0.00 0.00 177.93 178.37 2png h ILE 16 N 0.00 1.36 0.00 6.26 1.08 -1.21 -3.32 117.51 121.68 2png h ILE 16 Ca -0.00 -2.60 -0.13 0.00 -0.39 0.00 0.00 64.86 61.74 2png h ILE 16 Cb 0.19 3.09 -0.02 0.00 -3.07 0.00 0.00 36.82 37.01 2png h ILE 16 CO 0.01 0.76 -0.64 -0.07 -0.69 0.00 0.00 178.15 177.53 2png h LEU 17 N -0.13 0.00 -0.12 1.44 -0.00 -1.40 -3.47 115.31 111.63 2png h LEU 17 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2png h LEU 17 Cb 1.90 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.56 2png h LEU 17 CO 0.20 0.64 0.00 0.61 -0.00 0.00 0.00 178.44 179.89 2png n GLY 18 N 0.32 0.75 3.24 0.83 0.00 0.75 -5.11 105.19 105.98 2png n GLY 18 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2png n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2png s ILE 19 N -1.62 0.10 0.28 -0.61 -4.36 0.07 -5.03 121.20 110.03 2png s ILE 19 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2png s ILE 19 Cb 0.00 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.90 2png s ILE 19 CO 0.00 -0.45 0.00 -1.14 0.24 0.00 0.00 174.94 173.59 2png n ARG 20 N -0.13 0.00 0.05 0.37 3.00 -1.26 -3.67 116.66 115.02 2png n ARG 20 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.73 2png n ARG 20 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 33.00 2png n ARG 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2png h ASP 21 N 0.00 0.00 -0.36 6.15 5.19 -1.98 -3.48 116.42 121.94 2png h ASP 21 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 2png h ASP 21 Cb 0.00 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.45 2png h ASP 21 CO 0.00 0.81 -0.14 0.18 -3.12 0.00 0.00 179.24 176.97 2png n LEU 22 N -3.16 -0.44 -4.56 1.55 7.99 -1.26 -4.91 117.00 112.22 2png n LEU 22 Ca -0.05 0.19 -0.33 0.00 -0.01 0.00 0.00 56.01 55.81 2png n LEU 22 Cb 0.90 -1.60 -0.04 0.00 -0.11 0.00 0.00 43.42 42.57 2png n LEU 22 CO 0.44 -0.52 1.42 0.00 -1.51 0.00 0.00 177.39 177.23 2png s ALA 23 N -2.16 2.02 0.00 -1.18 0.00 -1.26 -1.12 121.76 118.06 2png s ALA 23 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2png s ALA 23 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2png s ALA 23 CO 0.00 -4.30 0.00 0.41 0.00 0.00 0.00 175.76 171.87 2png n GLY 24 N 6.45 1.52 3.80 0.00 0.00 -1.26 -5.09 105.19 110.61 2png n GLY 24 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2png n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2png s ILE 25 N -1.82 5.38 -0.23 -0.61 1.09 -0.27 -5.03 121.20 119.71 2png s ILE 25 Ca 0.00 0.36 -0.29 0.00 -1.10 0.00 0.00 60.65 59.62 2png s ILE 25 Cb 0.00 -3.51 -0.02 0.00 -1.06 0.00 0.00 42.46 37.87 2png s ILE 25 CO 0.00 0.52 1.54 0.21 -0.10 0.00 0.00 174.94 177.11 2png s ASN 26 N -0.36 6.46 -0.11 3.58 3.84 -1.26 -4.86 114.94 122.24 2png s ASN 26 Ca 0.15 1.54 0.09 0.00 0.21 0.00 0.00 52.86 54.85 2png s ASN 26 Cb -0.13 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 2png s ASN 26 CO 0.04 -1.20 1.26 0.18 -2.79 0.00 0.00 177.10 174.58 2png n LEU 27 N 8.20 3.45 -0.96 3.21 4.77 -1.26 -2.89 117.00 131.52 2png n LEU 27 Ca 0.18 -1.75 0.08 0.00 -0.03 0.00 0.00 56.01 54.49 2png n LEU 27 Cb 0.45 -0.54 0.23 0.00 -2.33 0.00 0.00 43.42 41.24 2png n LEU 27 CO 0.64 0.50 0.70 0.47 -1.33 0.00 0.00 177.39 178.37 2png n ASP 28 N 0.46 3.54 -4.41 -1.43 8.00 -1.26 -4.78 116.55 116.67 2png n ASP 28 Ca 0.16 -2.20 -0.42 0.00 0.71 0.00 0.00 54.79 53.04 2png n ASP 28 Cb 0.71 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2png s SER 29 N -1.10 5.98 0.60 -2.24 0.01 -1.14 -5.07 113.70 110.74 2png s SER 29 Ca 0.35 -1.04 -0.18 0.00 1.31 0.00 0.00 55.95 56.39 2png s SER 29 Cb 0.21 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 2png s SER 29 CO 0.20 -0.47 1.18 -0.44 0.41 0.00 0.00 173.24 174.12 2png s SER 30 N 1.82 5.22 0.52 2.44 0.01 -1.26 -4.47 113.70 117.97 2png s SER 30 Ca 0.04 2.31 0.35 0.00 1.31 0.00 0.00 55.95 59.95 2png s SER 30 Cb -0.20 -2.59 1.84 0.00 0.21 0.00 0.00 66.02 65.28 2png s SER 30 CO 0.08 -1.57 2.07 -0.07 0.41 0.00 0.00 173.24 174.16 2png h LEU 31 N 0.79 0.00 -0.76 2.44 4.07 -0.76 0.40 115.31 121.49 2png h LEU 31 Ca -0.50 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.33 2png h LEU 31 Cb 1.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2png h LEU 31 CO 0.55 0.00 -0.50 0.00 -1.08 0.00 0.00 178.44 177.41 2png h ALA 32 N 2.02 0.94 -0.14 1.53 0.00 -1.08 0.10 119.26 122.63 2png h ALA 32 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 2png h ALA 32 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2png h ALA 32 CO 0.00 0.66 -0.61 0.22 0.00 0.00 0.00 179.25 179.52 2png h ASP 33 N 0.25 0.54 0.15 0.00 1.82 -1.18 -3.15 116.42 114.85 2png h ASP 33 Ca 0.01 -0.31 -0.01 0.00 -0.39 0.00 0.00 57.03 56.33 2png h ASP 33 Cb 0.96 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2png h ASP 33 CO 0.08 1.02 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.59 2png h LEU 34 N 0.35 -0.17 0.00 2.28 3.38 -1.26 -3.49 115.31 116.40 2png h LEU 34 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2png h LEU 34 Cb 1.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2png h LEU 34 CO 0.11 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.47 2png n GLY 35 N -0.12 0.78 3.89 0.83 0.00 0.34 -5.11 105.19 105.80 2png n GLY 35 Ca -0.09 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 2png n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2png s LEU 36 N 0.00 4.33 0.00 0.99 0.05 -1.19 -4.61 118.68 118.25 2png s LEU 36 Ca 0.00 0.56 0.00 0.00 0.05 0.00 0.00 54.13 54.74 2png s LEU 36 Cb 0.00 -2.96 0.00 0.00 -2.05 0.00 0.00 46.19 41.18 2png s LEU 36 CO 0.00 0.17 0.00 -0.90 -0.55 0.00 0.00 176.35 175.07 2png n ASP 37 N 0.64 0.00 -0.06 1.48 5.75 -1.26 -4.87 116.55 118.23 2png n ASP 37 Ca -0.07 0.00 0.16 0.00 -0.01 0.00 0.00 54.79 54.87 2png n ASP 37 Cb 0.52 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.20 2png n ASP 37 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2png h SER 38 N 0.02 0.20 0.00 -1.12 0.02 -2.01 -3.42 113.55 107.24 2png h SER 38 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2png h SER 38 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2png h SER 38 CO 0.00 0.11 0.00 -0.11 -1.14 0.00 0.00 176.83 175.69 2png n LEU 39 N -4.44 0.00 -0.20 5.07 7.94 -1.26 -5.01 117.00 119.10 2png n LEU 39 Ca 0.10 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.95 2png n LEU 39 Cb 0.50 0.02 -0.05 0.00 0.53 0.00 0.00 43.42 44.43 2png n LEU 39 CO 0.35 -0.02 0.35 0.23 -1.11 0.00 0.00 177.39 177.19 2png n MET 40 N -1.35 -0.21 0.09 1.96 2.81 -1.26 -0.56 117.12 118.60 2png n MET 40 Ca 0.00 0.97 0.11 0.00 -1.81 0.00 0.00 57.70 56.97 2png n MET 40 Cb 0.00 -1.43 0.45 0.00 -0.71 0.00 0.00 33.22 31.53 2png n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2png n GLY 41 N -1.12 -1.27 0.13 3.03 0.00 -1.26 -0.81 105.19 103.88 2png n GLY 41 Ca 0.01 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2png n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2png n VAL 42 N -2.06 1.67 0.14 1.61 0.31 0.27 -3.59 118.33 116.69 2png n VAL 42 Ca 0.03 -0.42 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 2png n VAL 42 Cb 0.24 -1.84 0.21 0.00 -0.91 0.00 0.00 33.84 31.55 2png n VAL 42 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2png h GLU 43 N -0.36 0.04 -0.54 5.55 4.81 -0.42 0.05 114.58 123.70 2png h GLU 43 Ca -0.42 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 2png h GLU 43 Cb 1.75 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.10 2png h GLU 43 CO -0.05 0.58 0.33 0.28 -0.73 0.00 0.00 179.01 179.42 2png h VAL 44 N 0.03 1.07 -0.50 0.32 2.07 -1.14 -0.28 116.25 117.82 2png h VAL 44 Ca -0.00 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2png h VAL 44 Cb 0.98 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2png h VAL 44 CO 0.07 0.12 0.04 0.03 0.02 0.00 0.00 177.57 177.85 2png h ARG 45 N 0.66 0.80 0.00 1.57 3.08 -1.45 -0.60 114.38 118.44 2png h ARG 45 Ca 0.22 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2png h ARG 45 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2png h ARG 45 CO -0.09 0.79 0.00 1.04 -1.07 0.00 0.00 179.97 180.63 2png n GLN 46 N -4.23 0.11 -0.02 0.04 1.13 -0.06 -0.40 117.38 113.96 2png n GLN 46 Ca 0.03 0.13 -0.01 0.00 -1.94 0.00 0.00 57.00 55.20 2png n GLN 46 Cb 0.28 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.12 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2png n ILE 47 N -1.42 0.38 -0.08 5.09 5.41 -0.21 -4.04 119.36 124.49 2png n ILE 47 Ca 0.07 0.42 -0.08 0.00 1.00 0.00 0.00 62.75 64.16 2png n ILE 47 Cb 0.21 -1.74 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 2png n ILE 47 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2png h LEU 48 N -0.27 0.24 -0.42 1.39 -0.00 -1.11 0.17 115.31 115.32 2png h LEU 48 Ca 0.00 0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.71 2png h LEU 48 Cb 0.15 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2png h LEU 48 CO 0.00 0.18 -0.78 -0.08 -0.00 0.00 0.00 178.44 177.76 2png h GLU 49 N 0.33 0.20 -0.01 1.13 4.81 -0.30 0.27 114.58 121.01 2png h GLU 49 Ca 0.12 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 2png h GLU 49 Cb 0.03 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.47 2png h GLU 49 CO -0.08 0.88 -0.36 -0.09 -0.73 0.00 0.00 179.01 178.64 2png h ARG 50 N 0.13 0.25 0.12 1.92 2.43 -1.54 -1.87 114.38 115.81 2png h ARG 50 Ca -0.03 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2png h ARG 50 Cb 1.36 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2png h ARG 50 CO 0.12 0.97 -0.06 0.93 -1.51 0.00 0.00 179.97 180.42 2png h GLU 51 N -0.37 -0.15 0.00 0.20 4.39 -0.71 -3.40 114.58 114.54 2png h GLU 51 Ca -0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2png h GLU 51 Cb 1.09 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2png h GLU 51 CO 0.07 0.34 0.00 0.72 -1.16 0.00 0.00 179.01 178.98 2png n HIS 52 N -4.87 0.00 -1.96 4.33 8.25 -0.10 -4.99 115.22 115.88 2png n HIS 52 Ca -0.08 -0.26 -0.16 0.00 -0.26 0.00 0.00 57.72 56.96 2png n HIS 52 Cb 0.28 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2png n ASP 53 N -0.26 -4.91 -4.56 0.41 2.03 -0.13 -4.92 116.55 104.21 2png n ASP 53 Ca 0.00 0.16 -0.43 0.00 0.52 0.00 0.00 54.79 55.05 2png n ASP 53 Cb 0.21 -3.94 -0.03 0.00 -0.72 0.00 0.00 41.12 36.64 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2png s LEU 54 N -4.29 3.74 -0.87 -2.67 1.02 -0.30 -4.77 118.68 110.54 2png s LEU 54 Ca 0.00 0.02 -0.21 0.00 0.02 0.00 0.00 54.13 53.96 2png s LEU 54 Cb 0.00 -3.12 0.09 0.00 0.02 0.00 0.00 46.19 43.18 2png s LEU 54 CO 0.00 -1.32 1.17 -0.69 0.02 0.00 0.00 176.35 175.54 2png s VAL 55 N 4.43 4.38 -0.48 -1.59 1.01 -1.26 -2.31 120.40 124.59 2png s VAL 55 Ca 0.39 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2png s VAL 55 Cb -0.09 -4.83 0.05 0.00 0.00 0.00 0.00 36.38 31.51 2png s VAL 55 CO 0.25 -1.62 0.52 -0.76 0.00 0.00 0.00 175.10 173.49 2png s LEU 56 N 3.75 5.11 0.92 3.92 1.43 -1.26 -5.06 118.68 127.48 2png s LEU 56 Ca 0.33 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 2png s LEU 56 Cb -0.07 -2.37 0.15 0.00 0.03 0.00 0.00 46.19 43.93 2png s LEU 56 CO -0.03 -0.75 1.19 -2.84 0.23 0.00 0.00 176.35 174.14 2png s PRO 57 N 2.25 1.06 0.34 1.29 0.02 -1.26 -4.71 135.00 133.99 2png s PRO 57 Ca 0.12 0.06 0.05 0.00 0.02 0.00 0.00 61.00 61.24 2png s PRO 57 Cb -0.20 -1.85 0.62 0.00 0.02 0.00 0.00 34.50 33.10 2png s PRO 57 CO 0.11 -2.21 1.89 0.82 -0.33 0.00 0.00 177.00 177.28 2png h ILE 58 N -1.50 1.19 0.00 2.83 5.03 -1.97 0.49 117.51 123.58 2png h ILE 58 Ca -0.47 -0.73 0.00 0.00 -0.12 0.00 0.00 64.86 63.53 2png h ILE 58 Cb 1.31 0.91 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 2png h ILE 58 CO 0.56 0.25 0.00 -2.11 -0.68 0.00 0.00 178.15 176.17 2png n ARG 59 N -4.30 0.50 -0.02 2.37 0.00 -1.26 -1.35 116.66 112.60 2png n ARG 59 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.81 2png n ARG 59 Cb 0.23 -1.48 -0.02 0.00 -0.00 0.00 0.00 32.46 31.19 2png n ARG 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2png n GLU 60 N -0.98 0.10 0.13 2.89 1.02 -0.09 -4.75 120.64 118.96 2png n GLU 60 Ca 0.11 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 2png n GLU 60 Cb 0.05 -0.68 0.57 0.00 -0.02 0.00 0.00 31.44 31.37 2png n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2png h VAL 61 N -0.18 0.99 -0.01 2.62 2.07 -0.91 -1.49 116.25 119.35 2png h VAL 61 Ca -0.12 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2png h VAL 61 Cb 1.07 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2png h VAL 61 CO -0.07 0.04 0.01 0.03 0.02 0.00 0.00 177.57 177.59 2png h ARG 62 N 0.20 0.00 -0.41 1.57 3.08 -1.45 -2.42 114.38 114.94 2png h ARG 62 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2png h ARG 62 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2png h ARG 62 CO -0.02 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 2png n GLN 63 N -3.97 3.29 -2.85 0.04 3.00 -0.56 -0.51 117.38 115.82 2png n GLN 63 Ca -0.03 -2.67 -0.31 0.00 -0.01 0.00 0.00 57.00 53.99 2png n GLN 63 Cb 0.09 -1.73 -0.04 0.00 0.00 0.00 0.00 30.24 28.56 2png n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2png s LEU 64 N -2.06 3.84 -0.44 1.08 1.43 -0.91 -4.87 118.68 116.75 2png s LEU 64 Ca 0.40 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 2png s LEU 64 Cb 0.28 -4.07 0.46 0.00 0.03 0.00 0.00 46.19 42.90 2png s LEU 64 CO 0.16 -0.39 1.56 0.35 0.23 0.00 0.00 176.35 178.26 2png n THR 65 N -1.20 2.98 0.00 5.49 -2.24 -1.26 -1.43 114.28 116.62 2png n THR 65 Ca 0.03 -3.54 0.00 0.00 -2.27 0.00 0.00 64.05 58.27 2png n THR 65 Cb 0.54 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2png n THR 65 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2png n LEU 66 N -0.84 0.00 0.25 3.22 -0.00 -1.26 -3.89 117.00 114.47 2png n LEU 66 Ca 0.51 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.68 2png n LEU 66 Cb 0.86 0.00 0.68 0.00 -0.00 0.00 0.00 43.42 44.96 2png n LEU 66 CO 0.54 0.00 0.98 0.03 -0.00 0.00 0.00 177.39 178.94 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.93 -1.79 114.38 115.08 2png h ARG 67 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2png h ARG 67 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2png h ARG 67 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 179.97 180.31 2png h LYS 68 N 0.00 0.00 -0.13 0.04 3.64 -1.94 -1.64 116.57 116.54 2png h LYS 68 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2png h LYS 68 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2png h LYS 68 CO 0.00 0.00 0.23 -0.07 -2.27 0.00 0.00 179.45 177.34 2png h LEU 69 N 0.00 0.00 0.00 5.20 -0.00 -1.66 0.13 115.31 118.98 2png h LEU 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2png h LEU 69 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2png h LEU 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2png n GLN 70 N -3.45 0.89 0.01 1.13 6.02 -0.62 -1.61 117.38 119.76 2png n GLN 70 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2png n GLN 70 Cb 0.33 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 2png n GLN 70 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2png n GLU 71 N -1.04 0.27 -0.20 -1.09 1.02 0.45 -4.10 120.64 115.94 2png n GLU 71 Ca 0.22 -0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 2png n GLU 71 Cb 0.12 -1.55 0.15 0.00 -0.02 0.00 0.00 31.44 30.15 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2png n MET 72 N -1.87 2.82 0.23 3.49 2.81 -0.63 -4.64 117.12 119.32 2png n MET 72 Ca 0.01 -2.18 0.15 0.00 -1.81 0.00 0.00 57.70 53.88 2png n MET 72 Cb 0.43 -1.37 0.58 0.00 -0.71 0.00 0.00 33.22 32.14 2png n MET 72 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2png h SER 73 N 1.54 0.00 -0.01 7.83 4.64 -1.45 -3.46 113.55 122.64 2png h SER 73 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2png h SER 73 Cb 0.88 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2png h SER 73 CO 0.05 0.00 -0.01 -1.20 -0.87 0.00 0.00 176.83 174.81 2png n SER 74 N -2.84 -4.47 -4.52 4.97 7.64 -1.26 -4.79 113.62 108.36 2png n SER 74 Ca 0.02 0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.55 2png n SER 74 Cb 0.31 -1.99 -0.12 0.00 -1.01 0.00 0.00 64.21 61.41 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2png s LYS 75 N -1.03 3.76 0.07 1.43 1.02 -1.26 -5.07 119.74 118.66 2png s LYS 75 Ca 0.00 -0.44 -0.31 0.00 0.02 0.00 0.00 55.97 55.24 2png s LYS 75 Cb 0.00 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2png s LYS 75 CO 0.00 0.05 1.25 0.00 -0.92 0.00 0.00 175.35 175.72 2png s ALA 76 N 0.97 3.44 -1.26 5.17 0.00 -1.26 -4.90 121.76 123.92 2png s ALA 76 Ca 0.03 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 2png s ALA 76 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2png s ALA 76 CO 0.03 -0.50 1.91 0.41 0.00 0.00 0.00 175.76 177.61 2png n GLY 77 N 3.30 2.73 2.49 0.00 0.00 -1.26 -4.74 105.19 107.70 2png n GLY 77 Ca 0.10 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2png n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2png s SER 78 N 4.48 3.11 -0.09 1.61 0.01 -1.26 -4.71 113.70 116.86 2png s SER 78 Ca 0.55 -2.00 -0.21 0.00 1.31 0.00 0.00 55.95 55.60 2png s SER 78 Cb 0.07 -0.40 -0.18 0.00 0.21 0.00 0.00 66.02 65.72 2png s SER 78 CO 0.05 -0.34 0.75 -0.78 0.41 0.00 0.00 173.24 173.34 2png h ASP 79 N 7.32 -0.07 0.00 2.44 3.58 -1.92 -3.44 116.42 124.33 2png h ASP 79 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2png h ASP 79 Cb 0.98 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2png h ASP 79 CO 0.31 0.63 -0.61 0.41 -2.88 0.00 0.00 179.24 177.10 2png n THR 80 N -4.78 0.00 -4.26 2.25 -1.04 -1.26 -5.12 114.28 100.07 2png n THR 80 Ca -0.08 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 2png n THR 80 Cb 0.30 -0.41 -0.09 0.00 -1.82 0.00 0.00 70.33 68.32 2png n THR 80 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2png s GLU 81 N -1.66 1.61 0.00 -2.82 2.02 -1.26 -5.01 118.70 111.58 2png s GLU 81 Ca 0.00 -1.92 -0.05 0.00 0.02 0.00 0.00 54.97 53.02 2png s GLU 81 Cb 0.00 0.30 -0.03 0.00 0.10 0.00 0.00 34.13 34.50 2png s GLU 81 CO 0.00 -0.58 0.79 -0.07 0.02 0.00 0.00 175.26 175.42 2png h LEU 82 N 2.26 -0.15 -7.73 1.80 3.38 -1.96 -3.40 115.31 109.52 2png h LEU 82 Ca -0.28 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.03 2png h LEU 82 Cb 1.24 0.04 -0.39 0.00 0.09 0.00 0.00 40.66 41.63 2png h LEU 82 CO 0.41 -0.08 -0.71 0.00 0.09 0.00 0.00 178.44 178.15 2png s ALA 83 N -3.36 2.89 -0.03 1.53 0.00 -1.26 -4.73 121.76 116.80 2png s ALA 83 Ca -0.03 -2.45 -0.03 0.00 0.00 0.00 0.00 51.96 49.46 2png s ALA 83 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2png s ALA 83 CO 0.08 -1.65 0.05 0.00 0.00 0.00 0.00 175.76 174.24 2png n ALA 84 N 4.31 -2.61 -1.77 0.00 0.00 -1.26 -4.94 120.51 114.23 2png n ALA 84 Ca 0.01 0.79 -0.40 0.00 0.00 0.00 0.00 53.44 53.84 2png n ALA 84 Cb 0.42 -1.82 0.01 0.00 0.00 0.00 0.00 19.45 18.06 2png n ALA 84 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2png s PRO 85 N -0.91 3.78 0.20 0.00 0.02 -1.26 -4.89 135.00 131.94 2png s PRO 85 Ca -0.06 2.45 -0.09 0.00 0.02 0.00 0.00 61.00 63.33 2png s PRO 85 Cb 0.00 -2.73 0.13 0.00 0.02 0.00 0.00 34.50 31.92 2png s PRO 85 CO 0.17 -0.75 1.74 0.87 -0.33 0.00 0.00 177.00 178.70 2png h LYS 86 N 2.48 1.12 0.00 5.54 1.79 -1.98 -3.41 116.57 122.11 2png h LYS 86 Ca -0.51 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 57.73 2png h LYS 86 Cb 1.26 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2png h LYS 86 CO 0.62 0.94 0.00 0.45 -1.08 0.00 0.00 179.45 180.38 2png n SER 87 N -4.30 0.00 0.00 0.86 2.88 -1.26 -5.02 113.62 106.79 2png n SER 87 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2png n SER 87 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2png n SER 87 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2png n LYS 88 N -1.39 0.00 0.00 -1.46 4.81 -1.26 -5.20 118.16 113.66 2png n LYS 88 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 2png n LYS 88 Cb 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 35.03 34.88 2png n LYS 88 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86