#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 2.31 -2.31 1.61 5.68 -1.26 -4.89 116.55 117.70 2png n ASP 2 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 2png n ASP 2 Cb 0.00 0.81 -0.00 0.00 -1.14 0.00 0.00 41.12 40.79 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2png n GLY 3 N 2.30 -0.64 0.04 6.12 0.00 -1.26 -4.94 105.19 106.81 2png n GLY 3 Ca -0.17 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.42 0.40 0.00 1.61 4.07 -1.26 -5.07 120.64 119.97 2png n GLU 4 Ca -0.18 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 2png n GLU 4 Cb 0.62 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 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 -1.95 0.00 -3.74 4.31 0.00 -1.26 -4.87 120.51 113.00 2png n ALA 5 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 2png n ALA 5 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 2png n ALA 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2png s GLN 6 N 0.00 0.09 0.66 0.00 0.74 -1.26 -4.85 119.66 115.05 2png s GLN 6 Ca 0.00 0.38 -0.15 0.00 0.05 0.00 0.00 55.36 55.64 2png s GLN 6 Cb 0.00 -0.19 0.00 0.00 1.10 0.00 0.00 33.01 33.93 2png s GLN 6 CO 0.00 -0.17 1.12 -0.98 -0.55 0.00 0.00 175.29 174.71 2png s ARG 7 N 1.23 2.73 0.07 1.67 1.70 -1.26 -4.96 118.95 120.13 2png s ARG 7 Ca -0.09 1.45 -0.31 0.00 -0.47 0.00 0.00 55.73 56.32 2png s ARG 7 Cb -0.12 -1.94 -0.06 0.00 -0.57 0.00 0.00 34.95 32.26 2png s ARG 7 CO -0.06 -1.32 1.29 0.34 -1.08 0.00 0.00 175.30 174.47 2png s ASP 8 N -2.48 6.96 0.13 -2.89 2.15 -1.26 -4.93 116.67 114.35 2png s ASP 8 Ca 0.68 2.13 -0.23 0.00 0.43 0.00 0.00 52.55 55.56 2png s ASP 8 Cb -0.22 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 2png s ASP 8 CO 0.41 -0.57 1.66 -0.07 -0.17 0.00 0.00 175.17 176.44 2png h LEU 9 N 7.07 -0.51 -0.17 -1.34 -0.00 -1.93 -2.39 115.31 116.04 2png h LEU 9 Ca -0.41 0.09 -0.21 0.00 -0.00 0.00 0.00 57.88 57.35 2png h LEU 9 Cb 1.21 0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 2png h LEU 9 CO 0.85 -0.22 -0.96 0.58 -0.00 0.00 0.00 178.44 178.69 2png h VAL 10 N -0.23 1.52 0.00 1.22 2.07 -1.89 0.20 116.25 119.14 2png h VAL 10 Ca 0.09 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2png h VAL 10 Cb 0.35 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2png h VAL 10 CO -0.23 0.81 0.00 0.29 0.02 0.00 0.00 177.57 178.46 2png n LYS 11 N -3.61 0.12 -0.07 1.57 4.76 -1.15 -1.43 118.16 118.37 2png n LYS 11 Ca -0.04 0.34 -0.07 0.00 -2.87 0.00 0.00 58.31 55.67 2png n LYS 11 Cb 0.86 -1.73 -0.02 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.67 0.65 -0.00 7.82 0.00 -0.91 -4.33 120.51 122.06 2png n ALA 12 Ca 0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 2png n ALA 12 Cb 0.22 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.80 1.30 -0.05 0.00 2.07 -0.65 -2.82 116.25 115.31 2png h VAL 13 Ca 0.00 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 2png h VAL 13 Cb 0.74 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2png h VAL 13 CO 0.00 0.23 -0.34 0.00 0.02 0.00 0.00 177.57 177.49 2png h ALA 14 N 0.63 1.35 0.00 1.67 0.00 -1.42 -1.46 119.26 120.04 2png h ALA 14 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2png h ALA 14 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2png h ALA 14 CO 0.00 0.47 -0.15 1.25 0.00 0.00 0.00 179.25 180.82 2png h HIS 15 N 0.08 0.00 -0.50 0.00 6.17 -1.46 0.32 115.15 119.75 2png h HIS 15 Ca 0.01 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.01 2png h HIS 15 Cb 0.64 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.55 2png h HIS 15 CO 0.00 0.15 -0.02 0.82 0.71 0.00 0.00 177.93 179.60 2png h ILE 16 N 0.00 1.25 0.07 6.26 1.08 -1.01 -2.71 117.51 122.45 2png h ILE 16 Ca -0.00 -1.06 -0.26 0.00 -0.39 0.00 0.00 64.86 63.15 2png h ILE 16 Cb 0.31 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 2png h ILE 16 CO 0.02 0.38 -1.26 -0.07 -0.69 0.00 0.00 178.15 176.53 2png h LEU 17 N 0.79 0.23 0.00 1.44 3.38 -1.31 -3.48 115.31 116.36 2png h LEU 17 Ca 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2png h LEU 17 Cb 0.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2png h LEU 17 CO 0.02 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.38 2png n GLY 18 N 1.50 1.36 3.90 0.83 0.00 0.87 -5.11 105.19 108.53 2png n GLY 18 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 4.80 0.00 -0.61 -4.36 0.21 -4.93 121.20 114.30 2png s ILE 19 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 2png s ILE 19 Cb 0.00 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 40.10 2png s ILE 19 CO 0.00 -0.33 0.00 -1.14 0.24 0.00 0.00 174.94 173.71 2png n ARG 20 N -1.31 0.00 0.08 0.37 0.63 -1.26 -3.10 116.66 112.07 2png n ARG 20 Ca -0.08 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.72 2png n ARG 20 Cb 0.58 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.40 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 -0.17 0.00 6.15 3.32 -1.99 -3.46 116.42 120.26 2png h ASP 21 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2png h ASP 21 Cb 0.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2png h ASP 21 CO 0.00 0.16 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 2png n LEU 22 N -5.04 0.49 -4.54 1.55 7.99 -1.26 -4.90 117.00 111.30 2png n LEU 22 Ca -0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.48 2png n LEU 22 Cb 0.22 -1.23 -0.01 0.00 -0.11 0.00 0.00 43.42 42.29 2png n LEU 22 CO 0.32 -0.41 1.67 0.00 -1.51 0.00 0.00 177.39 177.46 2png s ALA 23 N -1.86 3.41 0.00 -1.18 0.00 -1.26 -2.30 121.76 118.57 2png s ALA 23 Ca 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.04 2png s ALA 23 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2png s ALA 23 CO 0.00 -3.19 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2png n GLY 24 N 5.31 0.42 3.39 0.00 0.00 -1.26 -5.12 105.19 107.93 2png n GLY 24 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.15 2.57 0.24 -0.61 1.09 -0.97 -5.09 121.20 118.28 2png s ILE 25 Ca 0.00 -0.91 -0.31 0.00 -1.10 0.00 0.00 60.65 58.33 2png s ILE 25 Cb 0.00 -1.96 -0.13 0.00 -1.06 0.00 0.00 42.46 39.31 2png s ILE 25 CO 0.00 0.58 1.52 0.59 -0.10 0.00 0.00 174.94 177.53 2png n ASN 26 N 2.43 3.24 -0.75 3.58 4.13 -1.26 -4.89 115.26 121.73 2png n ASN 26 Ca -0.17 1.13 0.09 0.00 1.68 0.00 0.00 54.58 57.31 2png n ASN 26 Cb 0.52 -1.49 0.10 0.00 -1.54 0.00 0.00 39.78 37.37 2png n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2png n LEU 27 N 2.55 2.62 -0.29 3.41 4.77 -1.26 -4.31 117.00 124.49 2png n LEU 27 Ca 0.12 -1.12 0.05 0.00 -0.03 0.00 0.00 56.01 55.03 2png n LEU 27 Cb 0.33 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2png n LEU 27 CO 0.63 0.49 0.28 -0.90 -1.33 0.00 0.00 177.39 176.56 2png n ASP 28 N 1.02 1.42 -4.72 -1.43 5.75 -1.26 -4.68 116.55 112.66 2png n ASP 28 Ca 0.11 -1.21 -0.39 0.00 -0.01 0.00 0.00 54.79 53.29 2png n ASP 28 Cb 0.46 0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.82 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2png s SER 29 N -1.21 6.83 0.53 -1.12 0.01 -1.26 -4.95 113.70 112.54 2png s SER 29 Ca 0.10 1.00 -0.21 0.00 1.31 0.00 0.00 55.95 58.14 2png s SER 29 Cb 0.08 -2.35 -0.06 0.00 0.21 0.00 0.00 66.02 63.90 2png s SER 29 CO 0.21 -0.06 1.17 -1.20 0.41 0.00 0.00 173.24 173.77 2png n SER 30 N 3.75 1.83 0.02 2.44 7.64 -1.26 -3.97 113.62 124.06 2png n SER 30 Ca -0.04 0.94 0.21 0.00 1.01 0.00 0.00 58.87 60.99 2png n SER 30 Cb 0.51 -1.47 0.71 0.00 -1.01 0.00 0.00 64.21 62.95 2png n SER 30 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2png h LEU 31 N 1.21 0.00 -1.05 -3.43 5.85 -0.70 0.15 115.31 117.34 2png h LEU 31 Ca -0.49 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 2png h LEU 31 Cb 1.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2png h LEU 31 CO 0.55 0.00 -0.07 0.00 -0.34 0.00 0.00 178.44 178.58 2png h ALA 32 N 1.69 1.21 -0.04 1.25 0.00 -1.01 0.24 119.26 122.59 2png h ALA 32 Ca 0.24 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2png h ALA 32 Cb 1.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2png h ALA 32 CO -0.00 0.51 -0.57 0.22 0.00 0.00 0.00 179.25 179.41 2png h ASP 33 N 0.55 0.15 -0.01 0.00 3.58 -0.97 -2.56 116.42 117.17 2png h ASP 33 Ca 0.11 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2png h ASP 33 Cb 0.46 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2png h ASP 33 CO 0.02 0.69 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.98 2png h LEU 34 N 0.10 0.05 -0.27 2.28 4.07 -1.37 -3.49 115.31 116.67 2png h LEU 34 Ca -0.00 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2png h LEU 34 Cb 1.04 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.76 2png h LEU 34 CO 0.08 0.60 0.00 0.61 -1.08 0.00 0.00 178.44 178.65 2png n GLY 35 N 0.43 -0.45 3.71 0.83 0.00 0.81 -5.02 105.19 105.50 2png n GLY 35 Ca -0.08 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 4.36 0.03 0.99 0.05 -1.19 -4.95 118.68 117.98 2png s LEU 36 Ca 0.00 1.97 -0.31 0.00 0.05 0.00 0.00 54.13 55.84 2png s LEU 36 Cb 0.00 -3.58 -0.17 0.00 -2.05 0.00 0.00 46.19 40.39 2png s LEU 36 CO 0.00 -0.48 1.30 -2.24 -0.55 0.00 0.00 176.35 174.38 2png h ASP 37 N 6.90 -0.92 0.00 1.48 2.03 -1.95 -3.48 116.42 120.49 2png h ASP 37 Ca -0.41 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2png h ASP 37 Cb 1.21 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.94 2png h ASP 37 CO 0.82 -0.56 0.00 -0.24 -1.03 0.00 0.00 179.24 178.23 2png n SER 38 N -5.50 0.00 -0.07 4.15 2.88 -1.26 -4.93 113.62 108.90 2png n SER 38 Ca -0.14 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.34 2png n SER 38 Cb 0.43 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.71 -0.40 2.46 7.12 -1.99 -1.72 115.31 121.50 2png h LEU 39 Ca 0.00 -0.23 0.07 0.00 0.13 0.00 0.00 57.88 57.85 2png h LEU 39 Cb 0.00 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 39.87 2png h LEU 39 CO 0.00 0.89 0.01 0.24 -0.13 0.00 0.00 178.44 179.45 2png h MET 40 N 0.63 0.12 -0.39 1.25 2.86 -1.92 0.40 114.93 117.87 2png h MET 40 Ca 0.10 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 2png h MET 40 Cb 0.65 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2png h MET 40 CO 0.05 0.08 -0.01 0.78 1.06 0.00 0.00 176.91 178.86 2png h GLY 41 N 0.12 0.67 0.63 8.32 0.00 -1.74 0.53 103.07 111.60 2png h GLY 41 Ca 0.20 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2png h GLY 41 CO -0.32 0.39 -0.02 -2.08 0.00 0.00 0.00 176.54 174.52 2png h VAL 42 N 0.59 1.33 -0.65 4.60 2.07 -0.53 -1.59 116.25 122.06 2png h VAL 42 Ca 0.12 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 2png h VAL 42 Cb 0.39 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2png h VAL 42 CO 0.02 0.27 0.23 -0.08 0.02 0.00 0.00 177.57 178.03 2png h GLU 43 N -0.32 0.98 -0.17 1.57 4.57 0.10 0.30 114.58 121.61 2png h GLU 43 Ca 0.01 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2png h GLU 43 Cb 0.45 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2png h GLU 43 CO 0.01 0.82 0.09 0.28 -1.18 0.00 0.00 179.01 179.02 2png h VAL 44 N 0.95 1.12 -0.80 0.32 2.07 -0.87 -1.65 116.25 117.40 2png h VAL 44 Ca 0.22 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2png h VAL 44 Cb 0.22 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2png h VAL 44 CO -0.01 0.11 0.33 0.03 0.02 0.00 0.00 177.57 178.05 2png h ARG 45 N 0.15 1.18 0.00 1.57 3.08 -0.57 -0.04 114.38 119.76 2png h ARG 45 Ca 0.06 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2png h ARG 45 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2png h ARG 45 CO -0.01 0.95 0.00 1.04 -1.07 0.00 0.00 179.97 180.88 2png n GLN 46 N -4.28 0.07 -0.05 0.04 6.02 1.00 -0.34 117.38 119.83 2png n GLN 46 Ca 0.07 0.18 -0.04 0.00 -0.01 0.00 0.00 57.00 57.20 2png n GLN 46 Cb 0.18 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.44 0.99 0.22 5.09 5.41 -0.51 -3.06 119.36 126.05 2png n ILE 47 Ca 0.05 0.29 -0.14 0.00 1.00 0.00 0.00 62.75 63.95 2png n ILE 47 Cb 0.19 -2.10 -0.08 0.00 -0.71 0.00 0.00 39.64 36.94 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 -0.68 -0.47 -0.25 1.39 -0.00 -1.02 0.16 115.31 114.42 2png h LEU 48 Ca 0.00 -0.11 -0.18 0.00 -0.00 0.00 0.00 57.88 57.60 2png h LEU 48 Cb 0.46 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2png h LEU 48 CO 0.00 -0.14 -0.54 -0.08 -0.00 0.00 0.00 178.44 177.69 2png h GLU 49 N -0.84 0.81 0.00 1.13 4.81 0.14 0.08 114.58 120.70 2png h GLU 49 Ca -0.06 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 2png h GLU 49 Cb 0.55 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2png h GLU 49 CO 0.09 1.16 -0.40 -0.09 -0.73 0.00 0.00 179.01 179.04 2png h ARG 50 N 0.57 0.00 0.36 1.92 9.65 -1.43 -2.82 114.38 122.63 2png h ARG 50 Ca 0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2png h ARG 50 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2png h ARG 50 CO 0.12 0.41 -0.17 0.93 2.80 0.00 0.00 179.97 184.06 2png h GLU 51 N -1.00 -0.46 0.00 0.20 4.39 -0.88 -3.28 114.58 113.54 2png h GLU 51 Ca -0.07 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2png h GLU 51 Cb 0.62 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2png h GLU 51 CO -0.04 -0.24 -1.66 1.58 -1.16 0.00 0.00 179.01 177.48 2png n HIS 52 N -5.25 0.08 -2.51 4.33 -0.00 -1.14 -4.91 115.22 105.81 2png n HIS 52 Ca -0.10 0.02 -0.03 0.00 0.46 0.00 0.00 57.72 58.06 2png n HIS 52 Cb 0.24 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 29.69 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 -2.11 -6.15 -3.38 0.26 2.03 -0.77 -5.02 116.55 101.41 2png n ASP 53 Ca -0.02 0.21 -0.17 0.00 0.52 0.00 0.00 54.79 55.33 2png n ASP 53 Cb 0.51 -4.08 -0.08 0.00 -0.72 0.00 0.00 41.12 36.75 2png n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2png s LEU 54 N -2.64 -0.08 -0.91 -2.67 2.96 -0.06 -4.93 118.68 110.35 2png s LEU 54 Ca 0.11 -1.32 -0.24 0.00 -0.22 0.00 0.00 54.13 52.46 2png s LEU 54 Cb -0.03 0.50 -0.02 0.00 0.50 0.00 0.00 46.19 47.14 2png s LEU 54 CO 0.54 -0.31 1.83 -0.69 -1.32 0.00 0.00 176.35 176.40 2png s VAL 55 N 1.74 3.55 -0.41 1.68 1.01 -1.26 -1.78 120.40 124.93 2png s VAL 55 Ca 0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 2png s VAL 55 Cb -0.15 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.01 2png s VAL 55 CO -0.14 -1.17 0.28 -0.76 0.00 0.00 0.00 175.10 173.31 2png s LEU 56 N 8.87 5.05 0.82 3.92 1.43 -1.26 -5.02 118.68 132.48 2png s LEU 56 Ca 0.64 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 2png s LEU 56 Cb -0.05 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.13 2png s LEU 56 CO -0.02 -0.45 1.15 -2.84 0.23 0.00 0.00 176.35 174.42 2png s PRO 57 N 1.63 1.90 0.39 1.29 0.02 -1.26 -4.77 135.00 134.20 2png s PRO 57 Ca 0.04 0.24 0.06 0.00 0.02 0.00 0.00 61.00 61.35 2png s PRO 57 Cb -0.20 -1.93 0.79 0.00 0.02 0.00 0.00 34.50 33.18 2png s PRO 57 CO 0.09 -1.67 2.04 0.82 -0.33 0.00 0.00 177.00 177.95 2png h ILE 58 N -1.11 1.12 0.00 2.83 5.03 -1.96 0.15 117.51 123.58 2png h ILE 58 Ca -0.47 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 2png h ILE 58 Cb 1.32 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 2png h ILE 58 CO 0.64 0.13 0.01 -2.11 -0.68 0.00 0.00 178.15 176.14 2png n ARG 59 N -4.45 0.09 -0.02 2.37 0.00 -1.26 0.06 116.66 113.45 2png n ARG 59 Ca 0.04 0.59 -0.01 0.00 -0.00 0.00 0.00 57.85 58.47 2png n ARG 59 Cb 0.07 -1.80 -0.04 0.00 -0.00 0.00 0.00 32.46 30.69 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 -1.98 2.23 0.04 2.89 1.02 0.22 -4.67 120.64 120.39 2png n GLU 60 Ca -0.01 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 2png n GLU 60 Cb 0.03 -1.11 0.08 0.00 -0.02 0.00 0.00 31.44 30.42 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 1.35 0.00 2.62 2.07 0.11 -3.17 116.25 119.23 2png h VAL 61 Ca -0.08 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2png h VAL 61 Cb 0.92 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2png h VAL 61 CO 0.00 0.58 0.00 -1.14 0.02 0.00 0.00 177.57 177.03 2png n ARG 62 N -3.91 0.10 -0.11 1.57 0.63 0.11 -1.18 116.66 113.86 2png n ARG 62 Ca -0.03 0.21 0.04 0.00 -0.92 0.00 0.00 57.85 57.15 2png n ARG 62 Cb 0.62 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 32.14 2png n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2png n GLN 63 N -1.39 2.39 -2.18 -0.14 0.00 -1.20 -0.38 117.38 114.48 2png n GLN 63 Ca 0.05 -1.77 -0.42 0.00 0.00 0.00 0.00 57.00 54.86 2png n GLN 63 Cb 0.14 -1.21 -0.03 0.00 0.00 0.00 0.00 30.24 29.14 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 -0.95 4.28 -0.03 2.61 1.43 -0.33 -4.28 118.68 121.40 2png s LEU 64 Ca 0.17 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2png s LEU 64 Cb 0.09 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2png s LEU 64 CO 0.12 -0.83 1.44 0.35 0.23 0.00 0.00 176.35 177.67 2png n THR 65 N 5.26 1.53 0.00 5.49 -2.24 -1.25 -1.16 114.28 121.91 2png n THR 65 Ca 0.15 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2png n THR 65 Cb 0.44 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.78 0.00 0.05 3.22 -0.00 -1.26 -3.94 117.00 115.85 2png n LEU 66 Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.18 2png n LEU 66 Cb 0.55 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.40 2png n LEU 66 CO 0.04 0.00 0.81 0.54 -0.00 0.00 0.00 177.39 178.78 2png n ARG 67 N 0.00 0.15 0.19 1.96 5.12 -1.26 -2.75 116.66 120.07 2png n ARG 67 Ca 0.00 0.11 0.06 0.00 -1.93 0.00 0.00 57.85 56.08 2png n ARG 67 Cb 0.00 -1.66 0.52 0.00 -1.16 0.00 0.00 32.46 30.16 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 0.10 -0.94 5.56 3.64 -1.87 -2.55 116.57 120.51 2png h LYS 68 Ca 0.00 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.51 2png h LYS 68 Cb 0.64 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 2png h LYS 68 CO 0.00 0.17 0.60 -0.07 -2.27 0.00 0.00 179.45 177.88 2png h LEU 69 N 0.10 0.73 -1.11 5.20 -0.00 -1.86 0.31 115.31 118.69 2png h LEU 69 Ca 0.02 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2png h LEU 69 Cb 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2png h LEU 69 CO 0.01 0.35 0.00 0.00 -0.00 0.00 0.00 178.44 178.80 2png n GLN 70 N -4.60 1.74 -0.04 1.13 10.64 -0.96 -1.74 117.38 123.54 2png n GLN 70 Ca 0.19 -1.10 -0.02 0.00 -1.83 0.00 0.00 57.00 54.24 2png n GLN 70 Cb 0.47 -1.42 -0.09 0.00 -0.86 0.00 0.00 30.24 28.34 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 0.32 1.61 -0.61 2.61 4.07 -0.08 -4.38 120.64 124.18 2png n GLU 71 Ca 0.17 -0.04 0.02 0.00 -0.06 0.00 0.00 57.16 57.25 2png n GLU 71 Cb 0.34 -1.30 0.23 0.00 -0.06 0.00 0.00 31.44 30.65 2png n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2png n MET 72 N -2.29 2.42 -0.03 5.31 0.00 -0.16 -4.66 117.12 117.71 2png n MET 72 Ca -0.14 -2.98 -0.12 0.00 0.00 0.00 0.00 57.70 54.46 2png n MET 72 Cb 0.72 -1.84 -0.07 0.00 0.00 0.00 0.00 33.22 32.04 2png n MET 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2png h SER 73 N 1.40 0.16 -5.14 3.17 4.64 -1.54 -3.47 113.55 112.77 2png h SER 73 Ca 0.11 -0.27 -0.41 0.00 -0.47 0.00 0.00 61.79 60.76 2png h SER 73 Cb 1.58 -0.04 0.10 0.00 -0.31 0.00 0.00 62.40 63.72 2png h SER 73 CO 0.32 0.40 -0.65 -0.24 -0.87 0.00 0.00 176.83 175.79 2png n SER 74 N -4.84 -6.28 0.12 4.97 2.88 -1.26 -4.88 113.62 104.32 2png n SER 74 Ca -0.06 -0.41 -0.02 0.00 -1.33 0.00 0.00 58.87 57.04 2png n SER 74 Cb 0.18 -5.01 0.18 0.00 -0.75 0.00 0.00 64.21 58.81 2png n SER 74 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2png h LYS 75 N -2.03 0.13 -3.43 -1.46 1.57 -1.94 -3.33 116.57 106.08 2png h LYS 75 Ca -0.55 -0.08 -0.67 0.00 -1.87 0.00 0.00 60.65 57.48 2png h LYS 75 Cb 1.37 0.01 -0.38 0.00 0.08 0.00 0.00 32.23 33.30 2png h LYS 75 CO 0.57 0.65 -0.49 0.00 -0.57 0.00 0.00 179.45 179.61 2png s ALA 76 N -3.80 3.51 -1.58 3.86 0.00 -1.26 -4.51 121.76 117.97 2png s ALA 76 Ca -0.03 -3.35 0.00 0.00 0.00 0.00 0.00 51.96 48.58 2png s ALA 76 Cb 0.13 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.85 2png s ALA 76 CO 0.77 -2.07 0.80 0.41 0.00 0.00 0.00 175.76 175.68 2png n GLY 77 N 3.13 0.08 0.03 0.00 0.00 -1.25 -2.83 105.19 104.35 2png n GLY 77 Ca 0.08 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2png n GLY 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2png n SER 78 N -0.27 0.31 -3.45 1.61 3.41 -1.26 -4.94 113.62 109.04 2png n SER 78 Ca 0.00 -0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 2png n SER 78 Cb 0.12 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 64.03 2png n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2png n ASP 79 N -1.37 -4.27 -0.71 4.04 2.03 -1.13 -4.90 116.55 110.24 2png n ASP 79 Ca 0.08 -0.76 0.12 0.00 0.52 0.00 0.00 54.79 54.75 2png n ASP 79 Cb 0.33 -4.67 0.34 0.00 -0.72 0.00 0.00 41.12 36.39 2png n ASP 79 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2png n THR 80 N -3.80 0.18 -2.41 5.18 -2.24 -1.26 -4.67 114.28 105.26 2png n THR 80 Ca -0.17 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 60.81 2png n THR 80 Cb 0.64 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 2png n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2png s GLU 81 N -1.82 3.24 -0.08 -0.78 0.41 -1.26 -4.95 118.70 113.46 2png s GLU 81 Ca 0.34 -0.69 0.05 0.00 -0.41 0.00 0.00 54.97 54.26 2png s GLU 81 Cb 0.20 -5.05 -0.01 0.00 -1.78 0.00 0.00 34.13 27.49 2png s GLU 81 CO 0.30 -2.50 -0.24 -1.17 -0.49 0.00 0.00 175.26 171.16 2png s LEU 82 N 6.50 2.09 -0.15 1.80 2.96 -1.26 -5.09 118.68 125.52 2png s LEU 82 Ca 0.51 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.66 2png s LEU 82 Cb -0.04 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 2png s LEU 82 CO -0.02 0.21 0.73 0.00 -1.32 0.00 0.00 176.35 175.95 2png s ALA 83 N 0.04 3.48 0.09 5.97 0.00 -1.26 -5.05 121.76 125.02 2png s ALA 83 Ca -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2png s ALA 83 Cb -0.15 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2png s ALA 83 CO 0.06 -0.49 0.17 0.00 0.00 0.00 0.00 175.76 175.50 2png s ALA 84 N 1.75 3.82 -1.13 0.00 0.00 -1.26 -4.98 121.76 119.96 2png s ALA 84 Ca 0.35 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.41 2png s ALA 84 Cb -0.17 -1.65 0.26 0.00 0.00 0.00 0.00 23.12 21.56 2png s ALA 84 CO 0.13 0.74 1.00 -0.35 0.00 0.00 0.00 175.76 177.28 2png n PRO 85 N 0.19 2.10 -3.02 0.00 -0.05 -1.26 -3.91 135.00 129.05 2png n PRO 85 Ca -0.07 -1.02 -0.15 0.00 -0.05 0.00 0.00 63.50 62.22 2png n PRO 85 Cb 0.52 -1.59 0.01 0.00 -0.05 0.00 0.00 33.50 32.39 2png n PRO 85 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 2png n LYS 86 N 0.22 1.01 -4.29 0.54 4.81 -1.26 -5.09 118.16 114.10 2png n LYS 86 Ca 0.09 -3.03 -0.30 0.00 -0.87 0.00 0.00 58.31 54.20 2png n LYS 86 Cb 0.46 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 33.95 2png n LYS 86 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2png s SER 87 N -2.26 4.39 -0.20 3.14 0.01 -1.25 -5.11 113.70 112.42 2png s SER 87 Ca 0.34 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 2png s SER 87 Cb 0.36 -0.86 0.01 0.00 0.21 0.00 0.00 66.02 65.74 2png s SER 87 CO -0.06 0.20 -0.12 -1.59 0.41 0.00 0.00 173.24 172.07 2png s LYS 88 N -2.05 3.11 0.00 12.44 -2.85 -1.26 -5.12 119.74 124.02 2png s LYS 88 Ca 0.20 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 2png s LYS 88 Cb -0.11 -2.79 0.00 0.00 -2.06 0.00 0.00 37.83 32.87 2png s LYS 88 CO 0.12 -0.23 0.40 -1.71 0.10 0.00 0.00 175.35 174.03