#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png n ASP 2 N 0.00 1.97 0.00 1.61 2.03 -1.26 -5.03 116.55 115.87 2png n ASP 2 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2png n ASP 2 Cb 0.00 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2png n GLY 3 N 1.71 -0.48 3.39 0.27 0.00 -1.26 -5.09 105.19 103.74 2png n GLY 3 Ca -0.51 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.54 0.55 1.61 0.41 -1.26 -5.00 118.70 118.55 2png s GLU 4 Ca 0.00 -0.55 0.31 0.00 -0.41 0.00 0.00 54.97 54.32 2png s GLU 4 Cb 0.00 -3.13 1.47 0.00 -1.78 0.00 0.00 34.13 30.69 2png s GLU 4 CO 0.00 -0.13 1.88 0.00 -0.49 0.00 0.00 175.26 176.51 2png h ALA 5 N 7.97 2.68 0.00 5.21 0.00 -2.01 -3.14 119.26 129.97 2png h ALA 5 Ca -0.39 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2png h ALA 5 Cb 1.17 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2png h ALA 5 CO 0.60 -1.02 -0.16 0.00 0.00 0.00 0.00 179.25 178.67 2png n GLN 6 N -4.10 0.42 0.00 0.00 10.64 -1.26 -4.85 117.38 118.24 2png n GLN 6 Ca 0.16 -0.63 0.00 0.00 -1.83 0.00 0.00 57.00 54.70 2png n GLN 6 Cb 0.90 0.36 0.00 0.00 -0.86 0.00 0.00 30.24 30.64 2png n GLN 6 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2png n ARG 7 N -0.48 0.00 -3.65 2.61 0.63 -1.19 -4.53 116.66 110.05 2png n ARG 7 Ca -0.13 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.78 2png n ARG 7 Cb 0.62 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.46 2png n ARG 7 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2png s ASP 8 N -4.00 -0.03 0.17 6.15 2.15 -1.26 -4.90 116.67 114.96 2png s ASP 8 Ca 0.00 0.05 -0.11 0.00 0.43 0.00 0.00 52.55 52.91 2png s ASP 8 Cb 0.00 0.05 0.07 0.00 -0.30 0.00 0.00 42.92 42.74 2png s ASP 8 CO 0.00 -0.01 1.71 -0.07 -0.17 0.00 0.00 175.17 176.63 2png h LEU 9 N 2.87 0.86 0.05 -1.34 -0.00 -1.88 -1.38 115.31 114.49 2png h LEU 9 Ca -0.23 -0.20 -0.27 0.00 -0.00 0.00 0.00 57.88 57.18 2png h LEU 9 Cb 1.20 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.61 2png h LEU 9 CO 0.19 0.83 -1.37 0.58 -0.00 0.00 0.00 178.44 178.67 2png h VAL 10 N 0.85 1.30 0.00 1.22 2.07 -1.89 0.16 116.25 119.96 2png h VAL 10 Ca 0.20 -3.02 -0.02 0.00 0.82 0.00 0.00 66.70 64.68 2png h VAL 10 Cb 0.26 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2png h VAL 10 CO -0.01 0.80 -0.08 0.11 0.02 0.00 0.00 177.57 178.41 2png h LYS 11 N 0.03 0.00 0.00 1.57 1.79 -1.91 -2.61 116.57 115.44 2png h LYS 11 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2png h LYS 11 Cb 1.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.57 2png h LYS 11 CO 0.13 0.08 -0.90 0.00 -1.08 0.00 0.00 179.45 177.69 2png n ALA 12 N -2.16 0.79 0.09 3.86 0.00 -0.53 -4.19 120.51 118.37 2png n ALA 12 Ca -0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 2png n ALA 12 Cb 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.91 0.91 -0.10 0.00 2.07 -0.79 -1.35 116.25 116.09 2png h VAL 13 Ca 0.00 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2png h VAL 13 Cb 0.90 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2png h VAL 13 CO 0.00 0.02 -0.11 0.00 0.02 0.00 0.00 177.57 177.49 2png h ALA 14 N 0.71 1.64 -0.03 1.67 0.00 -1.59 -0.93 119.26 120.73 2png h ALA 14 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2png h ALA 14 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2png h ALA 14 CO 0.03 0.27 -0.33 1.25 0.00 0.00 0.00 179.25 180.46 2png h HIS 15 N 0.14 0.06 -0.40 0.00 6.17 -1.02 0.32 115.15 120.41 2png h HIS 15 Ca 0.03 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 2png h HIS 15 Cb 0.29 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.19 2png h HIS 15 CO 0.00 0.38 0.08 0.82 0.71 0.00 0.00 177.93 179.93 2png h ILE 16 N 0.05 1.23 -0.22 6.26 1.08 -0.09 -3.01 117.51 122.82 2png h ILE 16 Ca 0.00 -0.82 -0.06 0.00 -0.39 0.00 0.00 64.86 63.59 2png h ILE 16 Cb 0.61 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 2png h ILE 16 CO 0.04 0.28 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.61 2png h LEU 17 N 0.51 0.47 0.00 1.44 -0.00 -1.22 -3.47 115.31 113.04 2png h LEU 17 Ca 0.12 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2png h LEU 17 Cb 0.34 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2png h LEU 17 CO 0.00 0.78 0.00 0.61 -0.00 0.00 0.00 178.44 179.84 2png n GLY 18 N -0.01 1.53 3.22 0.83 0.00 0.78 -5.12 105.19 106.42 2png n GLY 18 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.75 0.08 0.00 -0.61 -4.36 0.67 -4.98 121.20 110.25 2png s ILE 19 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2png s ILE 19 Cb 0.00 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.19 2png s ILE 19 CO 0.00 0.00 0.00 -1.14 0.24 0.00 0.00 174.94 174.04 2png n ARG 20 N -0.30 0.00 -0.19 0.37 0.00 -1.26 -2.44 116.66 112.84 2png n ARG 20 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.77 2png n ARG 20 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.13 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 0.99 -0.70 6.15 5.19 -1.96 -3.47 116.42 122.62 2png h ASP 21 Ca 0.00 -0.32 -0.20 0.00 -0.62 0.00 0.00 57.03 55.89 2png h ASP 21 Cb 0.00 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.18 2png h ASP 21 CO 0.00 1.07 -0.20 0.18 -3.12 0.00 0.00 179.24 177.17 2png n LEU 22 N -4.22 -0.90 -4.57 1.55 7.99 -1.26 -4.89 117.00 110.70 2png n LEU 22 Ca 0.02 0.18 -0.30 0.00 -0.01 0.00 0.00 56.01 55.90 2png n LEU 22 Cb 0.36 -1.62 -0.05 0.00 -0.11 0.00 0.00 43.42 42.00 2png n LEU 22 CO 0.44 -0.41 1.45 0.00 -1.51 0.00 0.00 177.39 177.36 2png s ALA 23 N -2.40 1.93 0.00 -1.18 0.00 -1.26 -1.79 121.76 117.07 2png s ALA 23 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.07 2png s ALA 23 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2png s ALA 23 CO 0.00 -4.71 0.00 0.41 0.00 0.00 0.00 175.76 171.46 2png n GLY 24 N 6.43 1.16 3.52 0.00 0.00 -1.26 -5.06 105.19 109.97 2png n GLY 24 Ca 0.41 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.59 0.05 -0.61 -1.09 -0.74 -5.07 121.20 115.33 2png s ILE 25 Ca 0.00 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.62 2png s ILE 25 Cb 0.00 -2.49 -0.08 0.00 -1.58 0.00 0.00 42.46 38.30 2png s ILE 25 CO 0.00 0.56 1.79 0.21 -1.23 0.00 0.00 174.94 176.26 2png s ASN 26 N -0.31 6.53 0.00 3.58 2.47 -1.26 -4.88 114.94 121.07 2png s ASN 26 Ca 0.04 2.55 0.25 0.00 0.42 0.00 0.00 52.86 56.13 2png s ASN 26 Cb -0.13 -2.55 1.05 0.00 -1.45 0.00 0.00 41.25 38.18 2png s ASN 26 CO 0.02 -0.97 1.73 0.18 -3.72 0.00 0.00 177.10 174.35 2png n LEU 27 N 6.49 1.28 -0.65 3.21 4.77 -1.26 -3.28 117.00 127.56 2png n LEU 27 Ca 0.18 -0.47 0.08 0.00 -0.03 0.00 0.00 56.01 55.76 2png n LEU 27 Cb 0.41 -0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.66 2png n LEU 27 CO 0.65 0.24 0.66 -0.90 -1.33 0.00 0.00 177.39 176.70 2png n ASP 28 N 0.02 3.33 -4.56 -1.43 5.68 -1.26 -4.60 116.55 113.73 2png n ASP 28 Ca 0.18 -2.76 -0.40 0.00 -0.50 0.00 0.00 54.79 51.31 2png n ASP 28 Cb 0.30 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.82 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2png s SER 29 N -1.84 5.82 0.50 -1.12 0.01 -1.21 -4.89 113.70 110.98 2png s SER 29 Ca 0.34 -0.00 -0.23 0.00 1.31 0.00 0.00 55.95 57.36 2png s SER 29 Cb 0.27 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 2png s SER 29 CO 0.09 -2.01 1.38 -0.44 0.41 0.00 0.00 173.24 172.66 2png s SER 30 N 5.49 5.56 0.63 2.44 0.01 -1.26 -3.71 113.70 122.87 2png s SER 30 Ca 0.51 2.81 0.42 0.00 1.31 0.00 0.00 55.95 60.99 2png s SER 30 Cb -0.10 -2.64 2.20 0.00 0.21 0.00 0.00 66.02 65.68 2png s SER 30 CO 0.19 -1.38 2.28 -0.07 0.41 0.00 0.00 173.24 174.67 2png h LEU 31 N 1.85 0.00 -0.47 2.44 3.38 -0.50 0.22 115.31 122.23 2png h LEU 31 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2png h LEU 31 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2png h LEU 31 CO 0.59 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.12 2png h ALA 32 N 2.00 1.00 0.00 1.53 0.00 -1.79 0.60 119.26 122.61 2png h ALA 32 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2png h ALA 32 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2png h ALA 32 CO 0.00 0.00 -0.48 0.22 0.00 0.00 0.00 179.25 178.99 2png h ASP 33 N 0.00 0.00 0.06 0.00 3.58 -0.84 -3.22 116.42 116.00 2png h ASP 33 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2png h ASP 33 Cb 0.78 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 2png h ASP 33 CO 0.00 0.48 -0.85 -0.07 -2.88 0.00 0.00 179.24 175.92 2png h LEU 34 N 0.00 0.20 -0.10 2.28 3.38 -1.34 -3.50 115.31 116.22 2png h LEU 34 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2png h LEU 34 Cb 1.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2png h LEU 34 CO 0.06 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.57 2png n GLY 35 N 1.62 -0.31 3.54 0.83 0.00 0.17 -5.05 105.19 105.99 2png n GLY 35 Ca -0.20 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 4.45 0.00 0.99 0.05 -1.24 -4.77 118.68 118.16 2png s LEU 36 Ca 0.00 -0.32 0.00 0.00 0.05 0.00 0.00 54.13 53.86 2png s LEU 36 Cb 0.00 -2.19 0.00 0.00 -2.05 0.00 0.00 46.19 41.95 2png s LEU 36 CO 0.00 -0.24 0.55 -0.90 -0.55 0.00 0.00 176.35 175.21 2png n ASP 37 N 5.17 -0.12 0.00 1.48 5.75 -1.26 -4.83 116.55 122.74 2png n ASP 37 Ca -0.12 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2png n ASP 37 Cb 0.50 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2png n SER 38 N 0.00 0.00 0.00 -1.12 3.41 -1.26 -5.05 113.62 109.60 2png n SER 38 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2png n SER 38 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2png n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2png n LEU 39 N -1.48 0.32 -0.33 1.04 7.94 -1.26 -4.80 117.00 118.43 2png n LEU 39 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 2png n LEU 39 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 2png n LEU 39 CO 0.00 0.04 0.67 0.24 -1.11 0.00 0.00 177.39 177.23 2png h MET 40 N 0.00 -0.00 0.00 1.96 2.86 -1.96 0.20 114.93 117.99 2png h MET 40 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2png h MET 40 Cb 0.97 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 2png h MET 40 CO 0.00 -0.00 -0.15 0.78 1.06 0.00 0.00 176.91 178.60 2png h GLY 41 N -0.00 0.00 0.42 8.32 0.00 -1.88 -0.04 103.07 109.90 2png h GLY 41 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.51 2png h GLY 41 CO -0.95 0.00 -1.33 -2.08 0.00 0.00 0.00 176.54 172.18 2png h VAL 42 N 0.00 1.03 -0.21 4.60 2.07 -1.17 -3.29 116.25 119.29 2png h VAL 42 Ca -0.00 -2.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 2png h VAL 42 Cb 0.35 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2png h VAL 42 CO 0.02 0.64 -0.19 -0.08 0.02 0.00 0.00 177.57 177.99 2png h GLU 43 N -0.45 0.36 -0.67 1.57 4.57 -0.27 0.01 114.58 119.70 2png h GLU 43 Ca -0.30 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 57.79 2png h GLU 43 Cb 1.65 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 30.17 2png h GLU 43 CO 0.01 0.54 0.43 0.28 -1.18 0.00 0.00 179.01 179.09 2png h VAL 44 N 0.33 1.15 0.00 0.32 2.07 -1.16 -0.97 116.25 117.99 2png h VAL 44 Ca 0.06 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 2png h VAL 44 Cb 0.52 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2png h VAL 44 CO 0.03 0.16 -0.36 0.03 0.02 0.00 0.00 177.57 177.45 2png h ARG 45 N 0.88 0.00 0.00 1.57 3.08 -1.31 -0.11 114.38 118.49 2png h ARG 45 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2png h ARG 45 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2png h ARG 45 CO -0.07 0.36 -0.03 1.04 -1.07 0.00 0.00 179.97 180.20 2png n GLN 46 N -3.95 0.17 -0.09 0.04 6.02 -0.12 -0.32 117.38 119.13 2png n GLN 46 Ca -0.02 0.14 -0.16 0.00 -0.01 0.00 0.00 57.00 56.95 2png n GLN 46 Cb 0.42 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2png n ILE 47 N -1.99 1.49 -0.04 5.09 5.41 -0.64 -4.04 119.36 124.64 2png n ILE 47 Ca 0.06 0.05 -0.00 0.00 1.00 0.00 0.00 62.75 63.86 2png n ILE 47 Cb 0.40 -2.17 -0.00 0.00 -0.71 0.00 0.00 39.64 37.16 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 -1.00 -0.00 -0.26 1.39 -0.00 -1.08 -3.24 115.31 111.12 2png h LEU 48 Ca -0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2png h LEU 48 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2png h LEU 48 CO -0.14 0.38 0.12 -0.08 -0.00 0.00 0.00 178.44 178.73 2png h GLU 49 N -0.77 0.37 -0.02 1.13 4.81 0.31 0.17 114.58 120.58 2png h GLU 49 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2png h GLU 49 Cb 0.00 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2png h GLU 49 CO 0.00 0.37 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.56 2png h ARG 50 N 0.28 0.03 0.15 1.92 9.65 -0.82 -1.24 114.38 124.35 2png h ARG 50 Ca 0.09 -0.01 -0.34 0.00 -1.10 0.00 0.00 59.98 58.62 2png h ARG 50 Cb 0.12 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2png h ARG 50 CO -0.01 0.33 -1.74 0.93 2.80 0.00 0.00 179.97 182.28 2png h GLU 51 N -0.28 0.32 -0.02 0.20 4.39 -1.61 -3.40 114.58 114.18 2png h GLU 51 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2png h GLU 51 Cb 0.32 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2png h GLU 51 CO 0.00 1.26 0.00 0.72 -1.16 0.00 0.00 179.01 179.83 2png n HIS 52 N -3.66 0.03 -1.41 4.33 8.25 -0.07 -4.99 115.22 117.70 2png n HIS 52 Ca -0.27 -0.35 -0.14 0.00 -0.26 0.00 0.00 57.72 56.69 2png n HIS 52 Cb 1.02 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 32.04 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 -0.28 -4.79 -4.52 0.41 2.03 -0.47 -4.91 116.55 104.02 2png n ASP 53 Ca 0.01 0.35 -0.42 0.00 0.52 0.00 0.00 54.79 55.24 2png n ASP 53 Cb 0.19 -3.53 -0.02 0.00 -0.72 0.00 0.00 41.12 37.04 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 -3.21 4.19 -0.88 -2.67 1.02 -0.64 -4.77 118.68 111.72 2png s LEU 54 Ca 0.00 -1.94 -0.25 0.00 0.02 0.00 0.00 54.13 51.96 2png s LEU 54 Cb 0.00 -2.50 0.01 0.00 0.02 0.00 0.00 46.19 43.72 2png s LEU 54 CO 0.00 -1.24 1.60 -0.69 0.02 0.00 0.00 176.35 176.03 2png s VAL 55 N 3.81 3.68 -0.42 -1.59 1.01 -1.26 -1.49 120.40 124.14 2png s VAL 55 Ca 0.43 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 2png s VAL 55 Cb -0.01 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.77 2png s VAL 55 CO -0.06 -1.54 0.46 -0.76 0.00 0.00 0.00 175.10 173.21 2png s LEU 56 N 6.98 4.80 0.78 3.92 1.43 -1.26 -5.03 118.68 130.30 2png s LEU 56 Ca 0.53 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 2png s LEU 56 Cb -0.05 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.79 2png s LEU 56 CO 0.01 -0.60 1.08 -2.84 0.23 0.00 0.00 176.35 174.24 2png s PRO 57 N 2.23 2.25 0.26 1.29 0.02 -1.26 -4.74 135.00 135.05 2png s PRO 57 Ca 0.13 0.95 -0.04 0.00 0.02 0.00 0.00 61.00 62.07 2png s PRO 57 Cb -0.17 -1.91 0.36 0.00 0.02 0.00 0.00 34.50 32.80 2png s PRO 57 CO 0.14 -1.58 1.89 0.82 -0.33 0.00 0.00 177.00 177.93 2png h ILE 58 N -1.07 1.11 -0.07 2.83 5.03 -1.97 0.16 117.51 123.52 2png h ILE 58 Ca -0.45 -0.40 0.02 0.00 -0.12 0.00 0.00 64.86 63.91 2png h ILE 58 Cb 1.24 -0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.87 2png h ILE 58 CO 0.55 0.21 0.25 0.08 -0.68 0.00 0.00 178.15 178.56 2png h ARG 59 N 1.17 0.00 0.03 2.37 -0.00 -2.00 0.25 114.38 116.21 2png h ARG 59 Ca 0.41 0.00 -0.38 0.00 -0.00 0.00 0.00 59.98 60.01 2png h ARG 59 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.01 2png h ARG 59 CO -0.15 0.00 -2.32 0.39 -0.00 0.00 0.00 179.97 177.89 2png n GLU 60 N -3.17 0.68 -0.03 0.08 -0.58 0.41 -4.43 120.64 113.61 2png n GLU 60 Ca -0.01 0.17 -0.02 0.00 -0.42 0.00 0.00 57.16 56.88 2png n GLU 60 Cb 0.33 -1.58 0.23 0.00 -0.57 0.00 0.00 31.44 29.85 2png n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2png h VAL 61 N 0.02 1.23 0.00 2.62 2.07 -0.03 -3.13 116.25 119.03 2png h VAL 61 Ca -0.53 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2png h VAL 61 Cb 1.96 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2png h VAL 61 CO -0.03 0.33 0.00 0.03 0.02 0.00 0.00 177.57 177.92 2png h ARG 62 N 0.56 0.00 -0.01 1.57 3.08 -0.76 -1.26 114.38 117.55 2png h ARG 62 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2png h ARG 62 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2png h ARG 62 CO 0.02 0.00 -0.32 1.04 -1.07 0.00 0.00 179.97 179.64 2png n GLN 63 N -2.85 0.92 -2.22 0.04 3.00 -1.18 -1.86 117.38 113.24 2png n GLN 63 Ca -0.02 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.93 2png n GLN 63 Cb 0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.50 4.27 -0.49 1.08 1.43 -0.48 -4.75 118.68 117.24 2png s LEU 64 Ca 0.23 2.00 -0.02 0.00 -1.03 0.00 0.00 54.13 55.31 2png s LEU 64 Cb 0.19 -3.54 0.30 0.00 0.03 0.00 0.00 46.19 43.17 2png s LEU 64 CO 0.54 -0.81 2.08 0.35 0.23 0.00 0.00 176.35 178.73 2png n THR 65 N 5.24 3.18 0.00 5.49 -2.24 -1.26 -1.45 114.28 123.25 2png n THR 65 Ca 0.15 -2.34 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 2png n THR 65 Cb 0.44 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 -0.15 0.00 0.00 3.22 -0.00 -1.24 -3.89 117.00 114.94 2png n LEU 66 Ca 0.45 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.59 2png n LEU 66 Cb 0.59 0.00 0.60 0.00 -0.00 0.00 0.00 43.42 44.61 2png n LEU 66 CO 0.55 0.00 0.93 0.54 -0.00 0.00 0.00 177.39 179.41 2png n ARG 67 N 0.00 0.08 0.17 1.96 5.12 -1.26 -1.79 116.66 120.93 2png n ARG 67 Ca 0.00 0.04 0.13 0.00 -1.93 0.00 0.00 57.85 56.09 2png n ARG 67 Cb 0.00 -1.50 0.37 0.00 -1.16 0.00 0.00 32.46 30.17 2png n ARG 67 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2png h LYS 68 N 0.00 0.00 -0.56 5.56 3.64 -1.88 -3.23 116.57 120.10 2png h LYS 68 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2png h LYS 68 Cb 0.42 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2png h LYS 68 CO 0.00 0.00 0.35 -0.07 -2.27 0.00 0.00 179.45 177.46 2png h LEU 69 N 0.00 0.56 -1.28 5.20 -0.00 -1.68 -1.19 115.31 116.92 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 0.75 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2png h LEU 69 CO 0.00 0.40 0.00 0.06 -0.00 0.00 0.00 178.44 178.90 2png h GLN 70 N 0.68 0.00 0.10 1.13 3.07 -1.73 -1.26 115.11 117.11 2png h GLN 70 Ca 0.23 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.69 2png h GLN 70 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.57 2png h GLN 70 CO -0.09 0.00 -1.27 0.93 0.09 0.00 0.00 178.83 178.49 2png h GLU 71 N 0.00 0.22 -0.64 0.06 4.39 -1.40 -3.26 114.58 113.96 2png h GLU 71 Ca 0.00 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 2png h GLU 71 Cb 0.41 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 2png h GLU 71 CO 0.00 1.15 0.09 -1.33 -1.16 0.00 0.00 179.01 177.75 2png n MET 72 N -3.48 4.58 -0.15 2.33 2.81 -0.56 -4.50 117.12 118.16 2png n MET 72 Ca -0.09 -3.14 -0.11 0.00 -1.81 0.00 0.00 57.70 52.55 2png n MET 72 Cb 1.02 -2.26 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 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 3.62 0.82 0.00 7.83 4.64 -1.30 -3.47 113.55 125.69 2png h SER 73 Ca 0.08 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2png h SER 73 Cb 2.11 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2png h SER 73 CO 0.58 0.98 0.00 -0.24 -0.87 0.00 0.00 176.83 177.27 2png n SER 74 N -4.32 -0.21 0.05 4.97 2.88 -1.26 -4.74 113.62 111.00 2png n SER 74 Ca -0.01 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2png n SER 74 Cb 0.36 -0.95 0.04 0.00 -0.75 0.00 0.00 64.21 62.91 2png n SER 74 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2png n LYS 75 N -1.98 0.39 -3.85 -1.46 4.81 -1.26 -4.96 118.16 109.85 2png n LYS 75 Ca 0.00 0.04 -0.03 0.00 -0.87 0.00 0.00 58.31 57.45 2png n LYS 75 Cb 0.01 -1.67 0.01 0.00 0.02 0.00 0.00 35.03 33.40 2png n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2png s ALA 76 N -3.25 -1.65 0.00 3.14 0.00 -1.26 -5.17 121.76 113.57 2png s ALA 76 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2png s ALA 76 Cb 0.13 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.98 2png s ALA 76 CO 0.78 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2png n GLY 77 N -0.66 3.15 0.14 0.00 0.00 -1.26 -4.56 105.19 102.00 2png n GLY 77 Ca -0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2png n GLY 77 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2png h SER 78 N 0.00 0.53 -0.18 1.61 0.02 -1.95 -3.48 113.55 110.11 2png h SER 78 Ca 0.00 -0.92 -0.08 0.00 -0.84 0.00 0.00 61.79 59.95 2png h SER 78 Cb 0.00 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2png h SER 78 CO 0.00 1.77 -0.07 0.47 -1.14 0.00 0.00 176.83 177.86 2png n ASP 79 N -3.64 -5.23 0.28 3.07 8.00 -1.26 -4.88 116.55 112.88 2png n ASP 79 Ca -0.26 0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 2png n ASP 79 Cb 1.03 -3.07 -0.07 0.00 -0.02 0.00 0.00 41.12 38.99 2png n ASP 79 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2png h THR 80 N 0.00 0.29 -3.77 -3.53 1.35 -2.05 -3.47 112.91 101.73 2png h THR 80 Ca -0.08 -0.41 -0.26 0.00 -0.55 0.00 0.00 66.41 65.11 2png h THR 80 Cb 0.84 0.40 -0.06 0.00 -1.73 0.00 0.00 68.15 67.60 2png h THR 80 CO 0.11 0.04 -0.18 -1.84 -0.25 0.00 0.00 175.52 173.41 2png n GLU 81 N -5.29 0.51 0.05 4.72 0.28 -1.26 -5.05 120.64 114.60 2png n GLU 81 Ca -0.11 -2.33 0.07 0.00 -0.16 0.00 0.00 57.16 54.63 2png n GLU 81 Cb 0.33 2.16 -0.06 0.00 1.43 0.00 0.00 31.44 35.30 2png n GLU 81 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2png n LEU 82 N 0.00 0.68 -2.20 -1.84 7.99 -1.26 -5.03 117.00 115.34 2png n LEU 82 Ca 0.02 0.28 -0.02 0.00 -0.01 0.00 0.00 56.01 56.28 2png n LEU 82 Cb 0.47 0.02 -0.02 0.00 -0.11 0.00 0.00 43.42 43.78 2png n LEU 82 CO 0.24 -0.02 -0.36 0.00 -1.51 0.00 0.00 177.39 175.74 2png n ALA 83 N -2.29 -3.38 -2.46 -1.18 0.00 -1.26 -5.08 120.51 104.87 2png n ALA 83 Ca -0.05 0.91 -0.23 0.00 0.00 0.00 0.00 53.44 54.06 2png n ALA 83 Cb 0.67 -1.78 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 2png n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2png s ALA 84 N -0.69 2.10 0.16 0.00 0.00 -1.26 -5.10 121.76 116.97 2png s ALA 84 Ca -0.09 -1.48 -0.34 0.00 0.00 0.00 0.00 51.96 50.05 2png s ALA 84 Cb 0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 23.12 22.75 2png s ALA 84 CO 0.48 0.31 1.40 -0.35 0.00 0.00 0.00 175.76 177.60 2png n PRO 85 N 0.43 1.68 0.27 0.00 -0.04 -1.26 -4.87 135.00 131.21 2png n PRO 85 Ca -0.14 0.60 0.16 0.00 -0.04 0.00 0.00 63.50 64.08 2png n PRO 85 Cb 0.56 -2.27 0.62 0.00 -0.04 0.00 0.00 33.50 32.37 2png n PRO 85 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2png h LYS 86 N 4.71 0.00 -6.68 0.54 1.57 -2.00 -3.42 116.57 111.29 2png h LYS 86 Ca -0.45 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.66 2png h LYS 86 Cb 1.30 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.42 2png h LYS 86 CO 0.79 0.02 -0.81 0.45 -0.57 0.00 0.00 179.45 179.34 2png s SER 87 N -5.79 3.68 0.12 0.86 0.15 -1.26 -5.00 113.70 106.46 2png s SER 87 Ca 0.02 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.82 2png s SER 87 Cb 0.09 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.95 2png s SER 87 CO 0.56 0.15 1.52 0.11 1.20 0.00 0.00 173.24 176.78 2png h LYS 88 N 3.44 0.74 0.00 5.44 1.57 -2.02 -3.53 116.57 122.20 2png h LYS 88 Ca -0.48 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 2png h LYS 88 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2png h LYS 88 CO 0.47 0.89 0.00 -1.71 -0.57 0.00 0.00 179.45 178.53