#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 6.53 0.03 1.61 -4.77 -1.26 -4.71 116.67 114.10 2png s ASP 2 Ca 0.00 0.74 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 2png s ASP 2 Cb 0.00 -2.15 0.00 0.00 -1.09 0.00 0.00 42.92 39.68 2png s ASP 2 CO 0.00 -0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.43 2png n GLY 3 N -0.24 1.85 3.74 2.12 0.00 -1.26 -4.82 105.19 106.58 2png n GLY 3 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 4.57 0.32 1.61 2.02 -1.26 -5.06 118.70 120.90 2png s GLU 4 Ca 0.00 1.20 0.07 0.00 0.02 0.00 0.00 54.97 56.26 2png s GLU 4 Cb 0.00 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2png s GLU 4 CO 0.00 0.30 0.33 0.00 0.02 0.00 0.00 175.26 175.91 2png s ALA 5 N -0.18 3.92 0.29 5.21 0.00 -1.26 -4.92 121.76 124.83 2png s ALA 5 Ca 0.41 -1.54 0.07 0.00 0.00 0.00 0.00 51.96 50.90 2png s ALA 5 Cb -0.22 -1.37 0.45 0.00 0.00 0.00 0.00 23.12 21.98 2png s ALA 5 CO 0.26 0.05 1.69 0.37 0.00 0.00 0.00 175.76 178.12 2png h GLN 6 N 1.18 0.19 0.00 0.00 4.15 -1.97 -3.49 115.11 115.17 2png h GLN 6 Ca -0.46 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 58.86 2png h GLN 6 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2png h GLN 6 CO 0.57 0.61 0.00 -2.13 -1.93 0.00 0.00 178.83 175.95 2png n ARG 7 N -3.99 0.00 -2.86 1.69 0.63 -1.26 -4.99 116.66 105.88 2png n ARG 7 Ca -0.02 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.52 2png n ARG 7 Cb 0.50 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.35 2png n ARG 7 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2png s ASP 8 N -1.30 7.47 0.24 6.15 1.01 -1.26 -4.95 116.67 124.03 2png s ASP 8 Ca 0.00 1.79 -0.04 0.00 0.71 0.00 0.00 52.55 55.02 2png s ASP 8 Cb 0.00 -2.55 0.27 0.00 1.01 0.00 0.00 42.92 41.65 2png s ASP 8 CO 0.00 0.13 1.73 -0.07 0.21 0.00 0.00 175.17 177.16 2png h LEU 9 N 3.98 0.82 0.00 1.23 -0.00 -1.95 -1.61 115.31 117.78 2png h LEU 9 Ca -0.46 -0.21 -0.16 0.00 -0.00 0.00 0.00 57.88 57.04 2png h LEU 9 Cb 1.20 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 2png h LEU 9 CO 0.67 0.89 -0.78 0.58 -0.00 0.00 0.00 178.44 179.80 2png h VAL 10 N 0.79 1.31 -0.10 1.22 2.07 -1.89 0.09 116.25 119.73 2png h VAL 10 Ca 0.15 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.81 2png h VAL 10 Cb 0.49 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2png h VAL 10 CO 0.02 0.75 0.00 0.29 0.02 0.00 0.00 177.57 178.65 2png n LYS 11 N -3.29 1.39 -0.01 1.57 4.01 -1.00 -2.13 118.16 118.70 2png n LYS 11 Ca 0.01 -0.59 -0.02 0.00 -0.51 0.00 0.00 58.31 57.21 2png n LYS 11 Cb 0.85 -1.30 -0.01 0.00 -0.51 0.00 0.00 35.03 34.06 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2png n ALA 12 N -0.16 1.47 0.19 7.82 0.00 -0.64 -4.51 120.51 124.68 2png n ALA 12 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2png n ALA 12 Cb 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.19 0.42 0.00 0.00 2.07 -1.10 -3.05 116.25 114.40 2png h VAL 13 Ca 0.00 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2png h VAL 13 Cb 0.19 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2png h VAL 13 CO 0.00 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 177.58 2png h ALA 14 N -0.67 1.70 -0.29 1.67 0.00 -1.59 -1.09 119.26 119.00 2png h ALA 14 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2png h ALA 14 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2png h ALA 14 CO 0.09 0.12 0.10 1.25 0.00 0.00 0.00 179.25 180.81 2png h HIS 15 N 0.00 0.40 -0.09 0.00 2.76 -1.46 0.34 115.15 117.10 2png h HIS 15 Ca -0.00 -0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 2png h HIS 15 Cb 0.19 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2png h HIS 15 CO 0.00 0.33 -0.77 0.82 -1.30 0.00 0.00 177.93 177.02 2png h ILE 16 N 0.40 1.35 0.00 6.26 1.08 -1.09 -2.91 117.51 122.60 2png h ILE 16 Ca 0.10 -2.12 -0.11 0.00 -0.39 0.00 0.00 64.86 62.34 2png h ILE 16 Cb 0.12 2.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2png h ILE 16 CO -0.01 0.65 -0.52 -0.07 -0.69 0.00 0.00 178.15 177.51 2png h LEU 17 N 0.34 0.00 0.00 1.44 3.38 -1.33 -3.47 115.31 115.67 2png h LEU 17 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2png h LEU 17 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2png h LEU 17 CO 0.14 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2png n GLY 18 N 0.61 1.32 3.53 0.83 0.00 0.28 -5.10 105.19 106.67 2png n GLY 18 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.66 0.00 -0.61 -4.36 0.95 -4.90 121.20 112.94 2png s ILE 19 Ca 0.00 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 2png s ILE 19 Cb 0.00 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.20 2png s ILE 19 CO 0.00 -0.35 0.00 -1.14 0.24 0.00 0.00 174.94 173.69 2png n ARG 20 N -0.73 0.00 0.00 0.37 0.63 -1.26 -3.16 116.66 112.50 2png n ARG 20 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2png n ARG 20 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 2png n ARG 20 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2png n ASP 21 N -0.08 0.00 -0.66 6.15 9.92 -1.26 -4.90 116.55 125.72 2png n ASP 21 Ca 0.00 0.79 -0.09 0.00 -0.53 0.00 0.00 54.79 54.96 2png n ASP 21 Cb 0.00 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.15 2png n ASP 21 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2png n LEU 22 N -1.37 -0.46 0.17 0.64 7.99 -1.26 -4.85 117.00 117.86 2png n LEU 22 Ca 0.00 0.21 0.13 0.00 -0.01 0.00 0.00 56.01 56.34 2png n LEU 22 Cb 0.00 -1.80 0.32 0.00 -0.11 0.00 0.00 43.42 41.83 2png n LEU 22 CO 0.00 -0.62 0.86 0.00 -1.51 0.00 0.00 177.39 176.12 2png h ALA 23 N 0.00 1.00 -0.94 -1.18 0.00 -2.04 -3.31 119.26 112.79 2png h ALA 23 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 2png h ALA 23 Cb 0.73 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.19 2png h ALA 23 CO 0.26 0.00 -0.96 0.41 0.00 0.00 0.00 179.25 178.95 2png n GLY 24 N 1.04 1.87 3.09 0.00 0.00 -1.26 -5.10 105.19 104.83 2png n GLY 24 Ca 0.04 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 0.86 0.07 -0.61 -1.09 -1.25 -5.11 121.20 112.06 2png s ILE 25 Ca 0.29 -0.84 -0.31 0.00 -2.23 0.00 0.00 60.65 57.56 2png s ILE 25 Cb 0.41 -0.79 -0.08 0.00 -1.58 0.00 0.00 42.46 40.41 2png s ILE 25 CO -0.02 -0.03 1.64 0.20 -1.23 0.00 0.00 174.94 175.50 2png s ASN 26 N -0.97 6.61 0.00 3.58 0.01 -1.26 -4.89 114.94 118.02 2png s ASN 26 Ca -0.00 2.47 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 2png s ASN 26 Cb -0.07 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2png s ASN 26 CO 0.01 -0.88 0.87 0.18 -1.51 0.00 0.00 177.10 175.77 2png n LEU 27 N 5.55 1.69 -0.53 0.60 4.77 -1.26 -4.50 117.00 123.31 2png n LEU 27 Ca 0.16 -1.69 0.09 0.00 -0.03 0.00 0.00 56.01 54.53 2png n LEU 27 Cb 0.41 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2png n LEU 27 CO 0.62 0.42 0.39 0.47 -1.33 0.00 0.00 177.39 177.97 2png n ASP 28 N -0.37 2.04 -4.81 -1.43 8.00 -1.26 -4.77 116.55 113.95 2png n ASP 28 Ca 0.00 -1.52 -0.38 0.00 0.71 0.00 0.00 54.79 53.60 2png n ASP 28 Cb 0.21 0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.74 6.76 0.72 -2.24 0.01 -1.26 -5.00 113.70 110.95 2png s SER 29 Ca 0.17 0.90 -0.15 0.00 1.31 0.00 0.00 55.95 58.18 2png s SER 29 Cb 0.14 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 64.16 2png s SER 29 CO 0.33 0.27 1.21 -0.44 0.41 0.00 0.00 173.24 175.02 2png s SER 30 N -0.73 4.24 0.51 2.44 0.01 -1.26 -4.07 113.70 114.83 2png s SER 30 Ca 0.23 2.38 0.16 0.00 1.31 0.00 0.00 55.95 60.03 2png s SER 30 Cb -0.16 -2.59 1.23 0.00 0.21 0.00 0.00 66.02 64.71 2png s SER 30 CO 0.12 -2.23 2.13 0.25 0.41 0.00 0.00 173.24 173.91 2png h LEU 31 N -0.21 0.00 -0.68 2.44 5.85 -0.36 0.00 115.31 122.35 2png h LEU 31 Ca -0.48 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.10 2png h LEU 31 Cb 1.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2png h LEU 31 CO 0.50 0.03 -0.65 0.00 -0.34 0.00 0.00 178.44 177.98 2png h ALA 32 N 1.97 0.91 0.00 1.25 0.00 -1.28 0.88 119.26 122.99 2png h ALA 32 Ca -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2png h ALA 32 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2png h ALA 32 CO 0.00 0.80 -0.48 0.22 0.00 0.00 0.00 179.25 179.79 2png h ASP 33 N 0.03 0.00 0.00 0.00 3.58 -1.26 -2.81 116.42 115.96 2png h ASP 33 Ca -0.01 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 2png h ASP 33 Cb 1.15 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.21 2png h ASP 33 CO 0.09 0.48 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.57 2png h LEU 34 N 0.00 0.25 0.00 2.28 3.38 -1.03 -3.49 115.31 116.69 2png h LEU 34 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2png h LEU 34 Cb 1.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2png h LEU 34 CO 0.06 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2png n GLY 35 N 1.08 0.67 3.75 0.83 0.00 0.27 -5.08 105.19 106.71 2png n GLY 35 Ca -0.10 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 4.59 -0.01 0.99 0.05 -1.17 -4.98 118.68 118.15 2png s LEU 36 Ca 0.00 1.82 -0.19 0.00 0.05 0.00 0.00 54.13 55.81 2png s LEU 36 Cb 0.00 -3.52 -0.11 0.00 -2.05 0.00 0.00 46.19 40.51 2png s LEU 36 CO 0.00 0.11 0.86 -2.24 -0.55 0.00 0.00 176.35 174.53 2png h ASP 37 N 4.63 -0.58 0.00 1.48 2.03 -1.95 -3.48 116.42 118.55 2png h ASP 37 Ca -0.45 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2png h ASP 37 Cb 1.20 0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2png h ASP 37 CO 0.69 -0.23 0.00 -0.24 -1.03 0.00 0.00 179.24 178.42 2png n SER 38 N -4.88 0.00 -0.20 4.15 2.88 -1.26 -4.93 113.62 109.38 2png n SER 38 Ca -0.09 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.40 2png n SER 38 Cb 0.27 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.83 2png n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2png h LEU 39 N 0.00 0.95 0.00 2.46 5.85 -1.98 -0.08 115.31 122.51 2png h LEU 39 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2png h LEU 39 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 2png h LEU 39 CO 0.00 0.94 0.00 0.23 -0.34 0.00 0.00 178.44 179.27 2png n MET 40 N -4.23 0.51 0.00 1.25 2.81 -1.26 0.39 117.12 116.59 2png n MET 40 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2png n MET 40 Cb 0.27 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 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 0.01 0.00 0.10 3.03 0.00 -0.17 -4.66 105.19 103.50 2png n GLY 41 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 1.10 -0.21 1.61 2.07 -0.10 -3.31 116.25 117.41 2png h VAL 42 Ca 0.00 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.21 2png h VAL 42 Cb 0.94 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2png h VAL 42 CO 0.00 0.50 -0.03 -0.08 0.02 0.00 0.00 177.57 177.97 2png h GLU 43 N -0.77 0.32 -0.01 1.57 4.81 -0.32 0.79 114.58 120.96 2png h GLU 43 Ca -0.28 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2png h GLU 43 Cb 1.40 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 2png h GLU 43 CO -0.09 0.37 -0.08 0.28 -0.73 0.00 0.00 179.01 178.77 2png h VAL 44 N 0.31 0.80 -0.64 0.32 2.07 -1.73 -1.58 116.25 115.80 2png h VAL 44 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2png h VAL 44 Cb 0.27 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2png h VAL 44 CO 0.01 0.00 0.38 0.03 0.02 0.00 0.00 177.57 178.01 2png h ARG 45 N -0.13 0.86 -0.95 1.57 3.08 -1.26 -1.73 114.38 115.83 2png h ARG 45 Ca 0.04 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.10 2png h ARG 45 Cb 0.17 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 2png h ARG 45 CO -0.09 0.62 0.59 1.96 -1.07 0.00 0.00 179.97 181.98 2png h GLN 46 N 0.86 0.98 0.41 0.04 4.20 -0.44 0.84 115.11 121.99 2png h GLN 46 Ca 0.23 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2png h GLN 46 Cb -0.02 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.54 2png h GLN 46 CO -0.04 0.65 -0.19 0.82 -0.67 0.00 0.00 178.83 179.39 2png h ILE 47 N 1.00 0.00 -0.61 2.54 2.04 -0.85 -2.86 117.51 118.77 2png h ILE 47 Ca 0.44 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2png h ILE 47 Cb 0.32 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2png h ILE 47 CO -0.22 0.00 0.29 -0.07 0.00 0.00 0.00 178.15 178.15 2png h LEU 48 N -1.14 0.77 0.47 1.44 -0.00 -1.22 0.90 115.31 116.54 2png h LEU 48 Ca -0.06 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 2png h LEU 48 Cb 0.42 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2png h LEU 48 CO 0.09 0.66 -0.23 -0.08 -0.00 0.00 0.00 178.44 178.88 2png h GLU 49 N 0.86 -0.61 0.00 1.13 4.81 -0.88 0.97 114.58 120.86 2png h GLU 49 Ca 0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2png h GLU 49 Cb 0.09 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2png h GLU 49 CO -0.03 -0.33 -0.59 0.54 -0.73 0.00 0.00 179.01 177.88 2png n ARG 50 N -5.30 0.21 -0.07 1.92 1.74 -1.04 -1.39 116.66 112.74 2png n ARG 50 Ca -0.11 0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.81 2png n ARG 50 Cb 0.30 -1.63 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 2png n ARG 50 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2png n GLU 51 N -1.94 0.65 0.00 5.56 -0.58 0.28 -4.78 120.64 119.83 2png n GLU 51 Ca 0.04 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 2png n GLU 51 Cb 0.41 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2png n GLU 51 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2png n HIS 52 N -3.92 0.00 -3.00 -0.32 8.25 -1.01 -5.05 115.22 110.17 2png n HIS 52 Ca -0.36 -0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.06 2png n HIS 52 Cb 0.88 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.02 -7.44 -3.64 0.41 2.03 -0.00 -4.99 116.55 102.89 2png n ASP 53 Ca 0.00 -0.12 -0.28 0.00 0.52 0.00 0.00 54.79 54.90 2png n ASP 53 Cb 0.25 -5.11 -0.12 0.00 -0.72 0.00 0.00 41.12 35.42 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 -4.03 2.63 -0.91 -2.67 1.02 0.13 -4.93 118.68 109.92 2png s LEU 54 Ca 0.04 -2.97 -0.24 0.00 0.02 0.00 0.00 54.13 50.97 2png s LEU 54 Cb -0.01 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.28 2png s LEU 54 CO 0.71 -0.20 1.58 -0.69 0.02 0.00 0.00 176.35 177.77 2png s VAL 55 N -0.05 3.72 -0.48 -1.59 1.01 -1.26 -3.58 120.40 118.18 2png s VAL 55 Ca 0.23 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 2png s VAL 55 Cb -0.12 -4.68 0.03 0.00 0.00 0.00 0.00 36.38 31.61 2png s VAL 55 CO -0.09 -1.60 0.74 -0.76 0.00 0.00 0.00 175.10 173.39 2png s LEU 56 N 6.71 4.44 0.95 3.92 1.43 -1.26 -5.06 118.68 129.81 2png s LEU 56 Ca 0.52 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2png s LEU 56 Cb -0.04 -2.77 0.16 0.00 0.03 0.00 0.00 46.19 43.57 2png s LEU 56 CO -0.01 -0.93 1.13 -2.84 0.23 0.00 0.00 176.35 173.93 2png s PRO 57 N 3.14 0.80 0.33 1.29 0.02 -1.26 -4.68 135.00 134.64 2png s PRO 57 Ca 0.25 0.29 0.01 0.00 0.02 0.00 0.00 61.00 61.57 2png s PRO 57 Cb -0.14 -1.80 0.55 0.00 0.02 0.00 0.00 34.50 33.13 2png s PRO 57 CO 0.19 -2.43 1.96 0.82 -0.33 0.00 0.00 177.00 177.22 2png h ILE 58 N -1.67 1.19 0.00 2.83 5.03 -1.97 0.40 117.51 123.32 2png h ILE 58 Ca -0.51 -0.43 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 2png h ILE 58 Cb 1.33 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.41 2png h ILE 58 CO 0.59 0.20 0.00 -2.11 -0.68 0.00 0.00 178.15 176.15 2png n ARG 59 N -4.40 0.48 -0.05 2.37 0.00 -1.26 -0.19 116.66 113.62 2png n ARG 59 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.81 2png n ARG 59 Cb 0.08 -1.48 -0.04 0.00 -0.00 0.00 0.00 32.46 31.02 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 0.27 -0.31 2.89 -0.58 -0.12 -4.72 120.64 117.09 2png n GLU 60 Ca 0.11 0.11 0.09 0.00 -0.42 0.00 0.00 57.16 57.05 2png n GLU 60 Cb 0.05 -0.96 0.31 0.00 -0.57 0.00 0.00 31.44 30.27 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 -0.47 0.90 0.00 2.62 2.07 -0.58 -1.49 116.25 119.29 2png h VAL 61 Ca -0.22 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2png h VAL 61 Cb 1.01 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2png h VAL 61 CO -0.13 0.16 0.00 0.54 0.02 0.00 0.00 177.57 178.15 2png n ARG 62 N -4.57 0.09 -0.16 1.57 1.74 0.74 -1.11 116.66 114.95 2png n ARG 62 Ca 0.17 0.54 0.07 0.00 -0.77 0.00 0.00 57.85 57.86 2png n ARG 62 Cb 0.39 -1.75 0.15 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.93 2.35 -2.61 5.56 3.00 -0.56 -0.65 117.38 122.54 2png n GLN 63 Ca -0.00 -1.95 -0.43 0.00 -0.01 0.00 0.00 57.00 54.61 2png n GLN 63 Cb 0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 30.24 28.97 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 -1.03 3.86 0.00 1.08 1.43 -0.27 -4.49 118.68 119.27 2png s LEU 64 Ca 0.25 0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2png s LEU 64 Cb 0.14 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.69 2png s LEU 64 CO 0.18 -0.98 2.52 0.35 0.23 0.00 0.00 176.35 178.66 2png n THR 65 N 6.11 2.19 0.00 5.49 -2.24 -1.26 -2.15 114.28 122.42 2png n THR 65 Ca 0.12 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2png n THR 65 Cb 0.47 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 2.11 0.00 -0.03 3.22 -0.00 -1.26 -3.67 117.00 117.37 2png n LEU 66 Ca 0.20 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.37 2png n LEU 66 Cb 0.63 0.00 0.87 0.00 -0.00 0.00 0.00 43.42 44.92 2png n LEU 66 CO 0.08 0.00 1.07 0.54 -0.00 0.00 0.00 177.39 179.07 2png n ARG 67 N 0.00 0.89 0.17 1.96 5.12 -1.26 -2.21 116.66 121.33 2png n ARG 67 Ca 0.00 -0.06 0.12 0.00 -1.93 0.00 0.00 57.85 55.98 2png n ARG 67 Cb 0.00 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.15 0.00 -0.66 5.56 3.64 -1.87 -3.23 116.57 120.16 2png h LYS 68 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2png h LYS 68 Cb 0.11 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 2png h LYS 68 CO 0.00 0.00 0.37 -0.07 -2.27 0.00 0.00 179.45 177.48 2png h LEU 69 N 0.00 0.55 0.00 5.20 -0.00 -1.76 -0.42 115.31 118.89 2png h LEU 69 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2png h LEU 69 Cb 0.93 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 2png h LEU 69 CO 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.80 2png n GLN 70 N -4.78 0.88 -0.04 1.13 10.64 -1.22 -1.72 117.38 122.27 2png n GLN 70 Ca 0.08 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.19 2png n GLN 70 Cb 0.16 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.90 2png n GLN 70 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2png n GLU 71 N -1.01 0.65 -0.51 2.61 -0.58 -0.23 -4.19 120.64 117.39 2png n GLU 71 Ca 0.21 0.13 0.08 0.00 -0.42 0.00 0.00 57.16 57.16 2png n GLU 71 Cb 0.10 -1.67 0.29 0.00 -0.57 0.00 0.00 31.44 29.59 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2png n MET 72 N -2.84 3.44 0.16 3.49 2.81 -0.79 -4.59 117.12 118.80 2png n MET 72 Ca -0.21 -2.77 0.02 0.00 -1.81 0.00 0.00 57.70 52.94 2png n MET 72 Cb 1.01 -1.82 0.26 0.00 -0.71 0.00 0.00 33.22 31.96 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 2.73 0.00 -5.90 7.83 4.64 -1.50 -3.47 113.55 117.88 2png h SER 73 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2png h SER 73 Cb 1.41 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.62 2png h SER 73 CO 0.23 0.49 -0.69 -0.24 -0.87 0.00 0.00 176.83 175.75 2png n SER 74 N -3.70 -6.22 -0.09 4.97 2.88 -1.26 -4.91 113.62 105.29 2png n SER 74 Ca -0.01 -0.57 -0.16 0.00 -1.33 0.00 0.00 58.87 56.80 2png n SER 74 Cb 0.55 -4.90 -0.05 0.00 -0.75 0.00 0.00 64.21 59.05 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 -4.98 0.47 -0.97 -1.46 4.81 -1.26 -4.99 118.16 109.78 2png n LYS 75 Ca 0.01 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2png n LYS 75 Cb 0.56 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.30 2png n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2png n ALA 76 N -4.17 0.00 -3.75 3.14 0.00 -1.26 -5.15 120.51 109.32 2png n ALA 76 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.15 2png n ALA 76 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 2png n ALA 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2png s GLY 77 N -0.50 -0.24 0.19 0.00 0.00 -1.26 -5.02 107.32 100.49 2png s GLY 77 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.96 2png s GLY 77 CO 0.00 1.15 1.51 1.48 0.00 0.00 0.00 173.10 177.24 2png h SER 78 N 2.00 0.64 -3.63 1.64 4.64 -2.05 -3.39 113.55 113.41 2png h SER 78 Ca -0.27 -0.34 -0.70 0.00 -0.47 0.00 0.00 61.79 60.02 2png h SER 78 Cb 1.21 -0.18 -0.26 0.00 -0.31 0.00 0.00 62.40 62.86 2png h SER 78 CO 0.29 1.05 -0.57 -0.62 -0.87 0.00 0.00 176.83 176.12 2png s ASP 79 N -6.91 5.49 -0.25 4.97 2.15 -1.26 -5.02 116.67 115.83 2png s ASP 79 Ca -0.08 -0.99 -0.04 0.00 0.43 0.00 0.00 52.55 51.88 2png s ASP 79 Cb 0.11 -1.94 0.09 0.00 -0.30 0.00 0.00 42.92 40.88 2png s ASP 79 CO 0.84 -0.33 0.15 -0.89 -0.17 0.00 0.00 175.17 174.77 2png s THR 80 N 1.49 -0.15 0.00 1.71 2.01 -1.26 -5.02 115.64 114.42 2png s THR 80 Ca 0.01 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2png s THR 80 Cb -0.19 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2png s THR 80 CO 0.05 -0.52 0.00 -0.62 -0.69 0.00 0.00 174.62 172.83 2png n GLU 81 N 5.27 0.00 0.00 4.92 1.02 -1.26 -5.03 120.64 125.56 2png n GLU 81 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2png n GLU 81 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2png n GLU 81 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2png n LEU 82 N -0.92 0.87 -4.56 -4.62 4.77 -1.26 -5.01 117.00 106.27 2png n LEU 82 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2png n LEU 82 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2png n LEU 82 CO 0.00 0.15 0.78 0.00 -1.33 0.00 0.00 177.39 176.99 2png s ALA 83 N -1.50 3.21 -0.26 -1.18 0.00 -1.26 -5.01 121.76 115.75 2png s ALA 83 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 2png s ALA 83 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2png s ALA 83 CO 0.00 -2.16 0.30 0.00 0.00 0.00 0.00 175.76 173.91 2png s ALA 84 N 3.89 3.56 -0.76 0.00 0.00 -1.26 -4.92 121.76 122.27 2png s ALA 84 Ca 0.37 -0.88 -0.27 0.00 0.00 0.00 0.00 51.96 51.19 2png s ALA 84 Cb -0.10 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.45 2png s ALA 84 CO 0.25 -0.55 1.28 -2.14 0.00 0.00 0.00 175.76 174.61 2png s PRO 85 N 1.81 3.22 -0.12 0.00 0.02 -1.26 -4.79 135.00 133.88 2png s PRO 85 Ca 0.12 -0.32 -0.13 0.00 0.02 0.00 0.00 61.00 60.69 2png s PRO 85 Cb -0.16 -4.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.06 2png s PRO 85 CO 0.10 -2.14 -0.25 1.63 -0.33 0.00 0.00 177.00 176.00 2png n LYS 86 N 9.29 0.37 -0.10 5.54 5.02 -1.26 -4.81 118.16 132.21 2png n LYS 86 Ca 0.05 0.15 -0.19 0.00 -2.02 0.00 0.00 58.31 56.30 2png n LYS 86 Cb 0.49 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 2png n LYS 86 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2png h SER 87 N -0.71 0.00 -1.58 4.39 0.02 -1.95 -3.48 113.55 110.23 2png h SER 87 Ca 0.00 -0.42 -0.19 0.00 -0.84 0.00 0.00 61.79 60.34 2png h SER 87 Cb 0.71 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2png h SER 87 CO 0.00 1.36 -0.25 0.29 -1.14 0.00 0.00 176.83 177.08 2png n LYS 88 N -4.47 -1.09 0.00 3.45 5.02 -1.26 -5.30 118.16 114.51 2png n LYS 88 Ca -0.28 0.46 0.15 0.00 -2.02 0.00 0.00 58.31 56.62 2png n LYS 88 Cb 0.61 -4.45 0.63 0.00 -0.02 0.00 0.00 35.03 31.80 2png n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17