#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 1.94 0.00 1.61 2.15 -1.26 -4.94 116.67 116.17 2png s ASP 2 Ca 0.00 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.44 2png s ASP 2 Cb 0.00 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 2png s ASP 2 CO 0.00 0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.65 2png n GLY 3 N 1.64 1.04 2.10 2.66 0.00 -1.26 -4.67 105.19 106.70 2png n GLY 3 Ca -0.19 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 2png n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2png n GLU 4 N 0.00 -2.38 -0.12 1.61 4.07 -1.26 -5.01 120.64 117.56 2png n GLU 4 Ca 0.00 2.03 0.04 0.00 -0.06 0.00 0.00 57.16 59.17 2png n GLU 4 Cb 0.00 -3.24 0.05 0.00 -0.06 0.00 0.00 31.44 28.20 2png n GLU 4 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2png n ALA 5 N 0.81 1.97 -1.86 4.31 0.00 -1.26 -4.90 120.51 119.57 2png n ALA 5 Ca -0.19 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2png n ALA 5 Cb 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2png n ALA 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2png n GLN 6 N -0.71 0.00 0.00 0.00 7.27 -1.26 -5.17 117.38 117.51 2png n GLN 6 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2png n GLN 6 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 2png n GLN 6 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2png n ARG 7 N -0.13 0.00 -2.12 3.69 0.00 -1.26 -5.13 116.66 111.71 2png n ARG 7 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 2png n ARG 7 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.46 32.49 2png n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2png s ASP 8 N 0.00 5.80 0.47 2.89 1.01 -1.26 -4.95 116.67 120.63 2png s ASP 8 Ca 0.00 1.07 0.28 0.00 0.71 0.00 0.00 52.55 54.61 2png s ASP 8 Cb 0.00 -2.05 0.90 0.00 1.01 0.00 0.00 42.92 42.78 2png s ASP 8 CO 0.00 -1.04 1.81 -0.07 0.21 0.00 0.00 175.17 176.08 2png h LEU 9 N -0.32 0.00 0.00 1.23 3.38 -1.88 -0.10 115.31 117.62 2png h LEU 9 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2png h LEU 9 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2png h LEU 9 CO 0.62 0.00 -0.09 0.52 0.09 0.00 0.00 178.44 179.58 2png n VAL 10 N -3.01 0.51 -0.45 1.22 0.31 -1.26 -0.07 118.33 115.59 2png n VAL 10 Ca 0.02 -0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.20 2png n VAL 10 Cb 0.40 -0.51 0.33 0.00 -0.91 0.00 0.00 33.84 33.15 2png n VAL 10 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2png n LYS 11 N -2.18 3.06 0.00 5.55 4.76 -0.13 -3.26 118.16 125.97 2png n LYS 11 Ca 0.05 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.78 2png n LYS 11 Cb 0.42 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2png n ALA 12 N 1.41 2.78 0.16 7.82 0.00 -0.74 -4.61 120.51 127.33 2png n ALA 12 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 2png n ALA 12 Cb 0.70 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.76 -0.12 0.00 2.07 -0.73 -1.07 116.25 117.15 2png h VAL 13 Ca 0.00 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2png h VAL 13 Cb 0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2png h VAL 13 CO 0.00 0.06 -0.16 0.00 0.02 0.00 0.00 177.57 177.49 2png h ALA 14 N 0.15 1.51 0.00 1.67 0.00 -1.65 -1.20 119.26 119.74 2png h ALA 14 Ca -0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2png h ALA 14 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2png h ALA 14 CO 0.06 0.35 -0.26 1.25 0.00 0.00 0.00 179.25 180.65 2png h HIS 15 N 0.19 0.00 0.21 0.00 6.17 -1.44 0.22 115.15 120.50 2png h HIS 15 Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 60.37 60.80 2png h HIS 15 Cb 0.40 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.36 2png h HIS 15 CO 0.01 0.26 -1.39 0.82 0.71 0.00 0.00 177.93 178.34 2png h ILE 16 N 0.00 1.33 -0.12 6.26 1.08 -0.03 -3.35 117.51 122.68 2png h ILE 16 Ca -0.00 -2.74 -0.19 0.00 -0.39 0.00 0.00 64.86 61.53 2png h ILE 16 Cb 0.62 2.96 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 2png h ILE 16 CO 0.03 0.82 -0.72 -0.07 -0.69 0.00 0.00 178.15 177.52 2png h LEU 17 N 0.15 0.67 0.00 1.44 3.38 -0.69 -3.47 115.31 116.79 2png h LEU 17 Ca -0.22 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2png h LEU 17 Cb 2.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2png h LEU 17 CO 0.26 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2png n GLY 18 N 0.56 1.15 3.22 0.83 0.00 0.50 -5.10 105.19 106.35 2png n GLY 18 Ca -0.05 0.00 -0.11 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 -2.00 0.02 0.00 -0.61 -4.36 0.32 -5.03 121.20 109.55 2png s ILE 19 Ca 0.00 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2png s ILE 19 Cb 0.00 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.34 2png s ILE 19 CO 0.00 -0.10 0.00 -1.14 0.24 0.00 0.00 174.94 173.94 2png n ARG 20 N -0.24 0.00 0.04 0.37 0.63 -1.26 -3.39 116.66 112.81 2png n ARG 20 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 2png n ARG 20 Cb 0.65 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.48 2png n ARG 20 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2png h ASP 21 N 0.00 0.83 -0.35 6.15 3.32 -1.96 -3.47 116.42 120.94 2png h ASP 21 Ca 0.00 -0.65 -0.15 0.00 0.02 0.00 0.00 57.03 56.25 2png h ASP 21 Cb 0.00 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.24 2png h ASP 21 CO 0.00 1.45 -0.14 0.18 -1.72 0.00 0.00 179.24 179.01 2png n LEU 22 N -3.84 -0.15 -4.42 1.55 7.99 -1.26 -4.88 117.00 111.99 2png n LEU 22 Ca -0.10 0.18 -0.43 0.00 -0.01 0.00 0.00 56.01 55.66 2png n LEU 22 Cb 0.86 -2.12 -0.00 0.00 -0.11 0.00 0.00 43.42 42.05 2png n LEU 22 CO 0.55 -0.78 2.10 0.00 -1.51 0.00 0.00 177.39 177.75 2png n ALA 23 N 1.14 3.89 0.00 -1.18 0.00 -1.26 -1.99 120.51 121.10 2png n ALA 23 Ca -0.07 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.53 2png n ALA 23 Cb 0.44 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.29 2png n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 24 N 5.16 1.01 3.82 0.00 0.00 -1.26 -5.12 105.19 108.80 2png n GLY 24 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 4.47 -0.10 -0.61 -1.09 -0.84 -5.01 121.20 118.02 2png s ILE 25 Ca 0.00 1.34 -0.25 0.00 -2.23 0.00 0.00 60.65 59.51 2png s ILE 25 Cb 0.00 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2png s ILE 25 CO 0.00 -0.20 0.79 0.20 -1.23 0.00 0.00 174.94 174.50 2png s ASN 26 N -2.12 7.02 -0.05 3.58 -0.87 -1.26 -4.89 114.94 116.35 2png s ASN 26 Ca 0.57 1.24 0.11 0.00 -1.57 0.00 0.00 52.86 53.22 2png s ASN 26 Cb -0.11 -2.45 0.41 0.00 -0.02 0.00 0.00 41.25 39.08 2png s ASN 26 CO 0.16 -0.25 1.28 0.18 -2.57 0.00 0.00 177.10 175.90 2png n LEU 27 N 4.36 2.77 -0.98 0.60 4.77 -1.26 -2.74 117.00 124.52 2png n LEU 27 Ca 0.02 -1.39 0.12 0.00 -0.03 0.00 0.00 56.01 54.72 2png n LEU 27 Cb 0.50 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2png n LEU 27 CO 0.48 0.53 0.64 0.47 -1.33 0.00 0.00 177.39 178.18 2png n ASP 28 N 0.61 3.07 -4.50 -1.43 9.92 -1.26 -4.77 116.55 118.19 2png n ASP 28 Ca 0.15 -1.97 -0.42 0.00 -0.53 0.00 0.00 54.79 52.02 2png n ASP 28 Cb 0.51 -0.07 -0.09 0.00 -0.64 0.00 0.00 41.12 40.82 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2png s SER 29 N -1.78 6.16 0.65 -2.24 0.01 -1.11 -5.07 113.70 110.34 2png s SER 29 Ca 0.30 -0.58 -0.15 0.00 1.31 0.00 0.00 55.95 56.83 2png s SER 29 Cb 0.20 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 2png s SER 29 CO 0.29 -0.46 1.11 -0.44 0.41 0.00 0.00 173.24 174.16 2png s SER 30 N 1.75 5.14 0.62 2.44 0.01 -1.26 -4.41 113.70 118.00 2png s SER 30 Ca 0.10 2.00 0.34 0.00 1.31 0.00 0.00 55.95 59.70 2png s SER 30 Cb -0.17 -2.55 1.97 0.00 0.21 0.00 0.00 66.02 65.48 2png s SER 30 CO 0.12 -1.61 2.23 -0.07 0.41 0.00 0.00 173.24 174.32 2png h LEU 31 N 0.07 0.00 -0.05 2.44 3.38 -0.39 0.83 115.31 121.59 2png h LEU 31 Ca -0.47 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.29 2png h LEU 31 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2png h LEU 31 CO 0.54 0.00 -0.98 0.00 0.09 0.00 0.00 178.44 178.09 2png h ALA 32 N 1.89 0.38 -0.43 1.53 0.00 -1.20 -0.10 119.26 121.33 2png h ALA 32 Ca 0.02 -0.88 -0.15 0.00 0.00 0.00 0.00 54.91 53.90 2png h ALA 32 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2png h ALA 32 CO -0.00 1.20 -0.30 0.22 0.00 0.00 0.00 179.25 180.37 2png h ASP 33 N 0.00 1.01 0.15 0.00 1.82 -1.11 -2.69 116.42 115.60 2png h ASP 33 Ca -0.02 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 2png h ASP 33 Cb 1.73 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.46 2png h ASP 33 CO 0.13 1.22 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.84 2png h LEU 34 N 0.81 -0.17 0.00 2.28 4.07 -1.29 -3.49 115.31 117.51 2png h LEU 34 Ca 0.09 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2png h LEU 34 Cb 0.89 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.67 2png h LEU 34 CO 0.08 -0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 2png n GLY 35 N -0.87 1.72 2.93 0.83 0.00 -0.05 -5.10 105.19 104.64 2png n GLY 35 Ca -0.09 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 1.97 0.00 0.99 0.05 -1.23 -4.94 118.68 115.52 2png s LEU 36 Ca 0.00 -0.82 0.00 0.00 0.05 0.00 0.00 54.13 53.36 2png s LEU 36 Cb 0.00 -1.06 0.00 0.00 -2.05 0.00 0.00 46.19 43.08 2png s LEU 36 CO 0.00 -0.18 0.01 -0.90 -0.55 0.00 0.00 176.35 174.73 2png n ASP 37 N 4.78 0.01 -3.64 1.48 5.68 -1.26 -4.90 116.55 118.71 2png n ASP 37 Ca -0.13 -0.24 -0.11 0.00 -0.50 0.00 0.00 54.79 53.81 2png n ASP 37 Cb 0.47 0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 40.76 2png n ASP 37 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2png s SER 38 N -0.42 0.09 0.00 -1.12 0.01 -1.26 -4.95 113.70 106.05 2png s SER 38 Ca 0.00 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2png s SER 38 Cb 0.00 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.24 2png s SER 38 CO 0.00 -0.24 0.00 -0.11 0.41 0.00 0.00 173.24 173.30 2png n LEU 39 N 5.37 0.00 0.00 2.44 7.94 -1.26 -4.66 117.00 126.83 2png n LEU 39 Ca -0.07 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.87 2png n LEU 39 Cb 0.50 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.66 2png n LEU 39 CO 0.02 0.00 0.51 0.23 -1.11 0.00 0.00 177.39 177.03 2png n MET 40 N 0.00 0.18 -0.04 1.96 2.81 -1.26 -0.07 117.12 120.71 2png n MET 40 Ca 0.00 0.10 -0.04 0.00 -1.81 0.00 0.00 57.70 55.95 2png n MET 40 Cb 0.00 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 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 -0.57 -0.22 0.16 3.03 0.00 -1.26 -4.57 105.19 101.76 2png n GLY 41 Ca 0.05 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2png n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2png h VAL 42 N 0.00 1.37 -0.76 1.61 2.07 -1.65 -2.82 116.25 116.07 2png h VAL 42 Ca -0.17 -2.26 0.05 0.00 0.82 0.00 0.00 66.70 65.14 2png h VAL 42 Cb 1.34 2.64 -0.06 0.00 -1.52 0.00 0.00 31.29 33.69 2png h VAL 42 CO -0.01 0.67 0.46 -0.08 0.02 0.00 0.00 177.57 178.63 2png h GLU 43 N 0.07 0.82 0.20 1.57 4.57 -0.77 0.12 114.58 121.17 2png h GLU 43 Ca -0.12 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2png h GLU 43 Cb 1.58 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.98 2png h GLU 43 CO 0.17 0.55 -0.12 0.28 -1.18 0.00 0.00 179.01 178.71 2png h VAL 44 N 0.85 0.75 -0.36 0.32 2.07 -1.75 -2.34 116.25 115.78 2png h VAL 44 Ca 0.33 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 2png h VAL 44 Cb 0.14 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2png h VAL 44 CO -0.16 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.54 2png h ARG 45 N -0.31 0.52 0.00 1.57 3.08 -1.07 -0.43 114.38 117.74 2png h ARG 45 Ca -0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2png h ARG 45 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2png h ARG 45 CO 0.02 0.49 0.00 1.04 -1.07 0.00 0.00 179.97 180.45 2png n GLN 46 N -4.34 0.06 -0.09 0.04 6.02 0.35 -1.05 117.38 118.37 2png n GLN 46 Ca 0.02 0.22 -0.14 0.00 -0.01 0.00 0.00 57.00 57.09 2png n GLN 46 Cb 0.19 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.71 1.48 -0.06 5.09 5.41 -0.28 -4.07 119.36 125.23 2png n ILE 47 Ca 0.04 0.05 -0.15 0.00 1.00 0.00 0.00 62.75 63.70 2png n ILE 47 Cb 0.24 -2.21 -0.06 0.00 -0.71 0.00 0.00 39.64 36.90 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 0.68 -0.91 1.39 -0.00 -1.24 -1.75 115.31 112.48 2png h LEU 48 Ca -0.21 -0.55 -0.10 0.00 -0.00 0.00 0.00 57.88 57.03 2png h LEU 48 Cb 0.98 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.43 2png h LEU 48 CO -0.12 1.10 -0.47 -0.08 -0.00 0.00 0.00 178.44 178.87 2png h GLU 49 N 0.29 0.00 0.11 1.13 4.81 -0.65 -0.52 114.58 119.74 2png h GLU 49 Ca 0.01 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2png h GLU 49 Cb 0.99 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.39 2png h GLU 49 CO 0.09 0.47 -0.69 -0.09 -0.73 0.00 0.00 179.01 178.05 2png h ARG 50 N 0.00 0.24 0.00 1.92 2.43 -1.68 -3.05 114.38 114.24 2png h ARG 50 Ca -0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2png h ARG 50 Cb 0.95 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2png h ARG 50 CO 0.06 1.20 -0.00 0.93 -1.51 0.00 0.00 179.97 180.64 2png h GLU 51 N -0.49 0.00 -0.44 0.20 4.39 -1.28 -3.40 114.58 113.56 2png h GLU 51 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2png h GLU 51 Cb 1.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2png h GLU 51 CO 0.12 0.00 0.00 1.58 -1.16 0.00 0.00 179.01 179.55 2png n HIS 52 N -2.47 0.58 -2.82 4.33 -0.00 -0.34 -4.91 115.22 109.59 2png n HIS 52 Ca -0.00 -0.29 -0.21 0.00 0.46 0.00 0.00 57.72 57.68 2png n HIS 52 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2png n ASP 53 N 1.42 -5.50 -4.48 0.26 2.03 -0.41 -4.93 116.55 104.95 2png n ASP 53 Ca 0.20 -0.16 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 2png n ASP 53 Cb 0.58 -4.52 -0.05 0.00 -0.72 0.00 0.00 41.12 36.42 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 -6.35 4.56 -1.28 -2.67 1.43 -0.39 -4.81 118.68 109.17 2png s LEU 54 Ca 0.19 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 2png s LEU 54 Cb -0.09 -2.60 0.12 0.00 0.03 0.00 0.00 46.19 43.65 2png s LEU 54 CO 0.24 -1.10 1.68 0.52 0.23 0.00 0.00 176.35 177.92 2png n VAL 55 N 5.89 4.07 -2.90 -1.59 0.31 -1.26 -2.28 118.33 120.56 2png n VAL 55 Ca -0.03 -4.28 -0.43 0.00 -0.01 0.00 0.00 64.34 59.59 2png n VAL 55 Cb 0.46 -2.42 -0.05 0.00 -0.91 0.00 0.00 33.84 30.92 2png n VAL 55 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2png s LEU 56 N 2.47 4.16 0.78 7.52 1.43 -1.26 -5.03 118.68 128.75 2png s LEU 56 Ca 0.47 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2png s LEU 56 Cb 0.03 -3.04 0.14 0.00 0.03 0.00 0.00 46.19 43.35 2png s LEU 56 CO 0.02 -0.98 1.07 -2.16 0.23 0.00 0.00 176.35 174.54 2png s PRO 57 N 3.49 1.44 0.53 1.29 0.05 -1.26 -4.73 135.00 135.81 2png s PRO 57 Ca 0.33 -0.92 0.23 0.00 0.05 0.00 0.00 61.00 60.68 2png s PRO 57 Cb -0.11 -2.21 1.44 0.00 0.05 0.00 0.00 34.50 33.66 2png s PRO 57 CO 0.24 -1.68 2.13 0.82 0.05 0.00 0.00 177.00 178.56 2png h ILE 58 N -0.80 0.76 0.00 0.56 5.03 -1.96 0.22 117.51 121.33 2png h ILE 58 Ca -0.38 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.07 2png h ILE 58 Cb 1.26 1.17 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 2png h ILE 58 CO 0.40 0.07 0.00 0.03 -0.68 0.00 0.00 178.15 177.98 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -2.00 -2.52 114.38 112.23 2png h ARG 59 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2png h ARG 59 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.13 2png h ARG 59 CO 0.01 0.00 -0.90 0.39 0.00 0.00 0.00 179.97 179.47 2png n GLU 60 N -2.35 0.00 -0.21 0.04 1.02 -0.33 -4.77 120.64 114.04 2png n GLU 60 Ca -0.01 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 2png n GLU 60 Cb 0.09 -0.61 0.12 0.00 -0.02 0.00 0.00 31.44 31.03 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 0.00 0.62 0.00 2.62 2.07 -0.62 0.18 116.25 121.13 2png h VAL 61 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2png h VAL 61 Cb 0.90 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2png h VAL 61 CO 0.00 0.05 0.00 0.54 0.02 0.00 0.00 177.57 178.18 2png n ARG 62 N -5.12 0.08 -0.17 1.57 1.74 -0.95 -1.70 116.66 112.11 2png n ARG 62 Ca 0.10 0.41 0.07 0.00 -0.77 0.00 0.00 57.85 57.66 2png n ARG 62 Cb 0.35 -1.69 0.16 0.00 -1.02 0.00 0.00 32.46 30.25 2png n ARG 62 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2png n GLN 63 N -1.86 2.54 -3.06 5.56 3.00 0.62 -0.70 117.38 123.48 2png n GLN 63 Ca 0.02 -2.01 -0.37 0.00 -0.01 0.00 0.00 57.00 54.63 2png n GLN 63 Cb 0.14 -1.30 -0.06 0.00 0.00 0.00 0.00 30.24 29.01 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 -1.01 4.39 -0.60 1.08 1.43 -0.69 -4.79 118.68 118.49 2png s LEU 64 Ca 0.25 1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2png s LEU 64 Cb 0.14 -3.56 0.52 0.00 0.03 0.00 0.00 46.19 43.31 2png s LEU 64 CO 0.18 0.06 2.00 0.35 0.23 0.00 0.00 176.35 179.17 2png n THR 65 N 0.88 3.50 0.00 5.49 -2.24 -1.26 -0.54 114.28 120.11 2png n THR 65 Ca -0.03 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.14 2png n THR 65 Cb 0.51 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.98 0.00 0.19 3.22 -0.00 -1.26 -4.10 117.00 114.06 2png n LEU 66 Ca 0.62 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.69 2png n LEU 66 Cb 0.97 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 44.73 2png n LEU 66 CO 0.74 0.00 0.68 0.03 -0.00 0.00 0.00 177.39 178.84 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.92 -2.20 114.38 114.69 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 0.36 0.00 -0.22 0.56 0.00 0.00 179.97 180.67 2png h LYS 68 N 0.00 0.00 -0.83 0.04 3.64 -1.94 -2.38 116.57 115.10 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 0.90 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 2png h LYS 68 CO 0.05 0.00 0.53 -0.07 -2.27 0.00 0.00 179.45 177.68 2png h LEU 69 N 0.00 0.86 -0.28 5.20 -0.00 -1.73 -1.48 115.31 117.88 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 0.29 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2png h LEU 69 CO 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 178.44 179.02 2png n GLN 70 N -4.59 1.19 0.07 1.13 10.64 -0.90 -1.36 117.38 123.56 2png n GLN 70 Ca 0.11 -0.28 0.10 0.00 -1.83 0.00 0.00 57.00 55.10 2png n GLN 70 Cb 0.11 -1.47 -0.04 0.00 -0.86 0.00 0.00 30.24 27.98 2png n GLN 70 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2png n GLU 71 N -0.64 0.62 -0.33 2.61 2.13 -0.61 -3.83 120.64 120.59 2png n GLU 71 Ca 0.22 0.07 0.08 0.00 0.66 0.00 0.00 57.16 58.19 2png n GLU 71 Cb 0.17 -1.76 0.22 0.00 0.27 0.00 0.00 31.44 30.34 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2png n MET 72 N -2.62 2.61 0.00 5.31 2.81 -0.72 -4.63 117.12 119.87 2png n MET 72 Ca -0.02 -2.67 0.12 0.00 -1.81 0.00 0.00 57.70 53.32 2png n MET 72 Cb 0.59 -1.69 0.72 0.00 -0.71 0.00 0.00 33.22 32.13 2png n MET 72 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2png n SER 73 N -0.59 0.00 -1.52 7.83 3.41 -0.47 -4.85 113.62 117.44 2png n SER 73 Ca 0.19 -0.67 -0.10 0.00 -0.26 0.00 0.00 58.87 58.02 2png n SER 73 Cb 0.78 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.70 2png n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2png n SER 74 N -1.04 -3.66 -4.42 4.04 7.64 -1.26 -4.83 113.62 110.09 2png n SER 74 Ca 0.18 -0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.72 2png n SER 74 Cb 0.10 -2.57 -0.10 0.00 -1.01 0.00 0.00 64.21 60.62 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 -5.05 1.54 -0.03 1.43 1.02 -1.26 -5.00 119.74 112.40 2png s LYS 75 Ca 0.14 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.33 2png s LYS 75 Cb -0.06 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.22 2png s LYS 75 CO 0.17 -0.04 -0.02 0.00 -0.92 0.00 0.00 175.35 174.54 2png n ALA 76 N -0.59 2.00 -0.54 5.17 0.00 -1.26 -5.07 120.51 120.23 2png n ALA 76 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2png n ALA 76 Cb 0.64 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.53 2png n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 77 N 3.33 0.22 3.45 0.00 0.00 -1.26 -5.01 105.19 105.92 2png n GLY 77 Ca -0.05 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.47 6.21 -0.62 1.61 0.01 -1.26 -4.98 113.70 114.21 2png s SER 78 Ca 0.00 -1.12 -0.24 0.00 1.31 0.00 0.00 55.95 55.91 2png s SER 78 Cb 0.00 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.87 2png s SER 78 CO 0.00 -1.39 0.99 -0.62 0.41 0.00 0.00 173.24 172.63 2png s ASP 79 N 3.69 6.25 -0.02 2.44 2.15 -1.26 -4.01 116.67 125.91 2png s ASP 79 Ca 0.22 -0.62 -0.03 0.00 0.43 0.00 0.00 52.55 52.55 2png s ASP 79 Cb -0.16 -2.44 -0.27 0.00 -0.30 0.00 0.00 42.92 39.74 2png s ASP 79 CO 0.08 -1.38 0.75 0.74 -0.17 0.00 0.00 175.17 175.19 2png h THR 80 N 6.00 1.03 -2.08 1.71 2.02 -1.92 -3.43 112.91 116.25 2png h THR 80 Ca -0.27 -2.69 -0.54 0.00 0.77 0.00 0.00 66.41 63.67 2png h THR 80 Cb 1.07 2.70 -0.08 0.00 -1.74 0.00 0.00 68.15 70.10 2png h THR 80 CO 1.15 0.80 1.15 -1.83 0.37 0.00 0.00 175.52 177.17 2png s GLU 81 N -2.60 3.19 -0.08 6.66 1.03 -1.26 -4.73 118.70 120.91 2png s GLU 81 Ca -0.11 -0.31 0.20 0.00 0.03 0.00 0.00 54.97 54.77 2png s GLU 81 Cb 0.07 -4.42 -0.27 0.00 -0.80 0.00 0.00 34.13 28.70 2png s GLU 81 CO 0.84 -2.24 0.36 1.47 -1.33 0.00 0.00 175.26 174.36 2png n LEU 82 N 9.70 0.11 -4.59 1.83 -0.00 -1.26 -4.79 117.00 118.00 2png n LEU 82 Ca 0.10 0.05 -0.43 0.00 -0.00 0.00 0.00 56.01 55.74 2png n LEU 82 Cb 0.50 0.21 -0.04 0.00 -0.00 0.00 0.00 43.42 44.08 2png n LEU 82 CO 0.70 0.21 0.72 0.00 -0.00 0.00 0.00 177.39 179.02 2png s ALA 83 N -3.04 3.37 -0.18 1.47 0.00 -1.26 -5.01 121.76 117.10 2png s ALA 83 Ca -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2png s ALA 83 Cb 0.10 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.74 2png s ALA 83 CO 0.86 -1.70 -0.03 0.00 0.00 0.00 0.00 175.76 174.90 2png s ALA 84 N 3.47 1.42 -1.21 0.00 0.00 -1.26 -5.03 121.76 119.15 2png s ALA 84 Ca 0.36 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 2png s ALA 84 Cb -0.12 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.86 2png s ALA 84 CO 0.20 -0.97 1.69 -2.14 0.00 0.00 0.00 175.76 174.55 2png s PRO 85 N 1.66 3.73 0.04 0.00 0.02 -1.26 -4.72 135.00 134.47 2png s PRO 85 Ca -0.01 -1.68 0.24 0.00 0.02 0.00 0.00 61.00 59.58 2png s PRO 85 Cb -0.16 -5.46 0.39 0.00 0.02 0.00 0.00 34.50 29.29 2png s PRO 85 CO -0.07 -2.42 1.33 1.17 -0.33 0.00 0.00 177.00 176.68 2png n LYS 86 N 8.52 0.13 -0.52 5.54 3.00 -1.26 -3.55 118.16 130.02 2png n LYS 86 Ca 0.45 0.03 0.05 0.00 -0.00 0.00 0.00 58.31 58.83 2png n LYS 86 Cb 0.47 -1.57 0.25 0.00 0.00 0.00 0.00 35.03 34.18 2png n LYS 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2png n SER 87 N -1.74 3.77 -4.96 3.14 2.88 -1.26 -4.86 113.62 110.59 2png n SER 87 Ca 0.04 -2.50 -0.23 0.00 -1.33 0.00 0.00 58.87 54.85 2png n SER 87 Cb 0.38 -0.57 0.02 0.00 -0.75 0.00 0.00 64.21 63.29 2png n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2png s LYS 88 N -2.00 2.28 0.00 -1.46 -0.14 -1.23 -5.32 119.74 111.86 2png s LYS 88 Ca 0.34 -1.86 0.12 0.00 -1.36 0.00 0.00 55.97 53.21 2png s LYS 88 Cb 0.25 -2.34 0.09 0.00 -1.68 0.00 0.00 37.83 34.15 2png s LYS 88 CO 0.12 -0.73 0.88 0.27 -0.76 0.00 0.00 175.35 175.13