#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 5.97 -0.02 1.61 1.01 -1.26 -4.73 116.67 119.25 2png s ASP 2 Ca 0.00 -3.05 -0.00 0.00 0.71 0.00 0.00 52.55 50.21 2png s ASP 2 Cb 0.00 -1.99 -0.01 0.00 1.01 0.00 0.00 42.92 41.93 2png s ASP 2 CO 0.00 -0.38 -0.02 0.61 0.21 0.00 0.00 175.17 175.60 2png n GLY 3 N 3.31 -0.02 3.61 0.21 0.00 -1.26 -4.98 105.19 106.06 2png n GLY 3 Ca 0.14 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 3.46 -0.56 1.61 0.41 -1.26 -4.92 118.70 115.40 2png s GLU 4 Ca -0.02 1.42 -0.27 0.00 -0.41 0.00 0.00 54.97 55.68 2png s GLU 4 Cb 0.01 -4.14 0.03 0.00 -1.78 0.00 0.00 34.13 28.24 2png s GLU 4 CO 0.04 -1.70 1.14 0.00 -0.49 0.00 0.00 175.26 174.24 2png s ALA 5 N 6.35 3.04 0.11 5.21 0.00 -1.26 -4.97 121.76 130.23 2png s ALA 5 Ca 0.76 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 2png s ALA 5 Cb -0.22 -3.96 -0.07 0.00 0.00 0.00 0.00 23.12 18.86 2png s ALA 5 CO 0.33 -2.57 1.35 -1.14 0.00 0.00 0.00 175.76 173.73 2png s GLN 6 N 4.70 4.35 0.94 0.00 2.00 -1.26 -5.01 119.66 125.39 2png s GLN 6 Ca 0.41 2.01 -0.12 0.00 -2.00 0.00 0.00 55.36 55.66 2png s GLN 6 Cb -0.08 -3.27 0.16 0.00 0.80 0.00 0.00 33.01 30.62 2png s GLN 6 CO 0.25 -0.39 1.11 -0.98 -0.50 0.00 0.00 175.29 174.78 2png s ARG 7 N 1.05 0.89 0.05 1.67 1.70 -1.26 -4.97 118.95 118.07 2png s ARG 7 Ca 0.63 0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 56.04 2png s ARG 7 Cb -0.35 -1.80 -0.05 0.00 -0.57 0.00 0.00 34.95 32.18 2png s ARG 7 CO 0.30 -2.40 0.89 0.34 -1.08 0.00 0.00 175.30 173.35 2png s ASP 8 N -3.74 7.34 0.50 -2.89 -1.08 -1.26 -4.93 116.67 110.60 2png s ASP 8 Ca 0.64 1.61 0.31 0.00 -0.52 0.00 0.00 52.55 54.59 2png s ASP 8 Cb -0.17 -2.53 1.18 0.00 -1.46 0.00 0.00 42.92 39.94 2png s ASP 8 CO 0.55 -0.10 1.90 -0.07 0.52 0.00 0.00 175.17 177.97 2png h LEU 9 N 6.05 0.00 -0.15 -1.34 3.38 -1.90 -1.71 115.31 119.65 2png h LEU 9 Ca -0.42 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 2png h LEU 9 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2png h LEU 9 CO 0.73 0.00 -0.63 0.58 0.09 0.00 0.00 178.44 179.21 2png h VAL 10 N 0.00 1.12 -0.11 1.22 2.07 -1.85 0.21 116.25 118.92 2png h VAL 10 Ca 0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2png h VAL 10 Cb 0.56 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2png h VAL 10 CO 0.00 0.61 0.00 0.29 0.02 0.00 0.00 177.57 178.49 2png n LYS 11 N -3.32 1.33 0.00 1.57 4.76 -0.65 -2.43 118.16 119.42 2png n LYS 11 Ca 0.01 -0.50 0.00 0.00 -2.87 0.00 0.00 58.31 54.95 2png n LYS 11 Cb 0.76 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 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 -0.19 2.74 0.06 7.82 0.00 -1.01 -4.57 120.51 125.36 2png n ALA 12 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2png n ALA 12 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 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 1.02 -0.18 0.00 2.07 -0.72 -0.89 116.25 117.55 2png h VAL 13 Ca 0.00 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 2png h VAL 13 Cb 0.00 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2png h VAL 13 CO 0.00 0.09 -0.32 0.00 0.02 0.00 0.00 177.57 177.36 2png h ALA 14 N 0.64 1.11 0.00 1.67 0.00 -1.61 -2.18 119.26 118.89 2png h ALA 14 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2png h ALA 14 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2png h ALA 14 CO 0.02 0.56 -0.12 1.25 0.00 0.00 0.00 179.25 180.96 2png h HIS 15 N 0.32 0.00 -0.40 0.00 6.17 -1.06 0.28 115.15 120.47 2png h HIS 15 Ca 0.04 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.07 2png h HIS 15 Cb 0.72 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.64 2png h HIS 15 CO 0.02 0.12 0.07 0.82 0.71 0.00 0.00 177.93 179.66 2png h ILE 16 N 0.00 1.24 0.00 6.26 1.08 -0.50 -2.78 117.51 122.80 2png h ILE 16 Ca -0.00 -0.86 -0.06 0.00 -0.39 0.00 0.00 64.86 63.54 2png h ILE 16 Cb 0.41 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2png h ILE 16 CO 0.02 0.30 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.40 2png h LEU 17 N 0.51 0.00 0.00 1.44 3.38 -1.22 -3.47 115.31 115.95 2png h LEU 17 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2png h LEU 17 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2png h LEU 17 CO 0.01 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.45 2png n GLY 18 N 0.61 1.21 3.71 0.83 0.00 0.42 -5.10 105.19 106.87 2png n GLY 18 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 4.33 0.00 -0.61 -4.36 0.69 -4.92 121.20 114.32 2png s ILE 19 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.85 2png s ILE 19 Cb 0.00 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.77 2png s ILE 19 CO 0.00 0.37 0.00 -1.14 0.24 0.00 0.00 174.94 174.41 2png n ARG 20 N 1.33 0.00 0.10 0.37 0.63 -1.26 -2.52 116.66 115.30 2png n ARG 20 Ca -0.14 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.62 2png n ARG 20 Cb 0.53 -0.07 -0.11 0.00 0.45 0.00 0.00 32.46 33.26 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 0.58 -1.62 6.15 5.19 -1.98 -3.48 116.42 121.27 2png h ASP 21 Ca 0.00 -0.55 -0.32 0.00 -0.62 0.00 0.00 57.03 55.54 2png h ASP 21 Cb 0.00 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.26 2png h ASP 21 CO 0.00 1.39 -0.36 0.18 -3.12 0.00 0.00 179.24 177.34 2png n LEU 22 N -3.67 -1.48 -4.57 1.55 7.99 -1.26 -4.88 117.00 110.68 2png n LEU 22 Ca -0.10 0.16 -0.34 0.00 -0.01 0.00 0.00 56.01 55.72 2png n LEU 22 Cb 0.96 -2.32 -0.04 0.00 -0.11 0.00 0.00 43.42 41.91 2png n LEU 22 CO 0.54 -0.45 1.60 0.00 -1.51 0.00 0.00 177.39 177.58 2png s ALA 23 N -2.70 2.34 0.00 -1.18 0.00 -1.26 -1.70 121.76 117.25 2png s ALA 23 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 49.71 2png s ALA 23 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2png s ALA 23 CO 0.00 -4.35 0.00 0.41 0.00 0.00 0.00 175.76 171.82 2png n GLY 24 N 6.09 1.10 3.83 0.00 0.00 -1.26 -5.11 105.19 109.84 2png n GLY 24 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.58 4.68 -0.70 -0.61 -1.09 -0.69 -4.99 121.20 116.21 2png s ILE 25 Ca 0.00 1.11 -0.26 0.00 -2.23 0.00 0.00 60.65 59.27 2png s ILE 25 Cb 0.00 -3.81 0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2png s ILE 25 CO 0.00 0.23 1.20 0.20 -1.23 0.00 0.00 174.94 175.34 2png s ASN 26 N -1.66 6.20 0.00 3.58 -0.87 -1.26 -4.83 114.94 116.09 2png s ASN 26 Ca 0.41 -0.49 0.31 0.00 -1.57 0.00 0.00 52.86 51.51 2png s ASN 26 Cb -0.16 -2.53 1.73 0.00 -0.02 0.00 0.00 41.25 40.27 2png s ASN 26 CO 0.20 -1.71 2.14 0.18 -2.57 0.00 0.00 177.10 175.34 2png n LEU 27 N 8.92 0.00 -0.55 0.60 4.77 -1.26 -2.15 117.00 127.33 2png n LEU 27 Ca 0.02 0.13 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 2png n LEU 27 Cb 0.48 -0.13 0.45 0.00 -2.33 0.00 0.00 43.42 41.90 2png n LEU 27 CO 0.70 -0.00 0.83 -0.67 -1.33 0.00 0.00 177.39 176.91 2png n ASP 28 N -1.13 1.71 -4.83 -1.43 2.03 -1.26 -4.69 116.55 106.95 2png n ASP 28 Ca 0.19 -1.59 -0.36 0.00 0.52 0.00 0.00 54.79 53.56 2png n ASP 28 Cb 0.17 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2png s SER 29 N -1.92 6.93 0.73 1.67 0.01 -0.91 -5.03 113.70 115.18 2png s SER 29 Ca 0.36 1.23 -0.11 0.00 1.31 0.00 0.00 55.95 58.74 2png s SER 29 Cb 0.20 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 64.11 2png s SER 29 CO 0.32 0.07 1.08 -0.44 0.41 0.00 0.00 173.24 174.68 2png s SER 30 N -1.69 5.16 0.51 2.44 0.01 -1.26 -4.12 113.70 114.75 2png s SER 30 Ca 0.40 1.33 0.24 0.00 1.31 0.00 0.00 55.95 59.23 2png s SER 30 Cb -0.16 -2.15 1.39 0.00 0.21 0.00 0.00 66.02 65.31 2png s SER 30 CO 0.20 -1.55 2.08 0.25 0.41 0.00 0.00 173.24 174.63 2png h LEU 31 N -0.80 0.00 -0.72 2.44 5.85 0.11 0.13 115.31 122.31 2png h LEU 31 Ca -0.45 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 2png h LEU 31 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2png h LEU 31 CO 0.60 0.12 -0.35 0.00 -0.34 0.00 0.00 178.44 178.47 2png h ALA 32 N 1.88 0.91 -0.10 1.25 0.00 -1.22 0.67 119.26 122.66 2png h ALA 32 Ca -0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 2png h ALA 32 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2png h ALA 32 CO 0.02 0.44 -0.62 -0.44 0.00 0.00 0.00 179.25 178.64 2png h ASP 33 N 0.00 0.41 -0.17 0.00 3.32 -1.01 -2.85 116.42 116.12 2png h ASP 33 Ca -0.00 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.69 2png h ASP 33 Cb 0.98 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2png h ASP 33 CO 0.05 0.93 -0.36 -0.07 -1.72 0.00 0.00 179.24 178.06 2png h LEU 34 N 0.26 0.62 0.00 1.55 4.07 -1.26 -3.49 115.31 117.06 2png h LEU 34 Ca -0.01 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.40 2png h LEU 34 Cb 1.15 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.72 2png h LEU 34 CO 0.10 1.06 0.00 0.61 -1.08 0.00 0.00 178.44 179.13 2png n GLY 35 N 0.43 0.58 3.63 0.83 0.00 0.21 -5.01 105.19 105.86 2png n GLY 35 Ca -0.06 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 3.84 -0.00 0.99 0.05 -1.12 -4.92 118.68 117.52 2png s LEU 36 Ca 0.00 0.92 -0.02 0.00 0.05 0.00 0.00 54.13 55.08 2png s LEU 36 Cb 0.00 -3.54 -0.01 0.00 -2.05 0.00 0.00 46.19 40.58 2png s LEU 36 CO 0.00 -1.01 0.57 0.44 -0.55 0.00 0.00 176.35 175.80 2png h ASP 37 N 8.59 -0.07 0.00 1.48 3.32 -1.94 -3.48 116.42 124.33 2png h ASP 37 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2png h ASP 37 Cb 1.07 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2png h ASP 37 CO 1.06 -0.02 0.00 -0.24 -1.72 0.00 0.00 179.24 178.32 2png n SER 38 N -2.35 0.00 -0.23 6.45 2.88 -1.26 -4.92 113.62 114.20 2png n SER 38 Ca -0.01 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 2png n SER 38 Cb 0.03 0.17 0.06 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.69 -1.67 2.46 5.85 -1.98 0.25 115.31 120.91 2png h LEU 39 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2png h LEU 39 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2png h LEU 39 CO 0.00 0.49 0.00 0.23 -0.34 0.00 0.00 178.44 178.82 2png n MET 40 N -4.67 0.72 0.00 1.25 2.81 -1.26 -0.37 117.12 115.59 2png n MET 40 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2png n MET 40 Cb 0.05 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.48 0.00 0.07 3.03 0.00 -0.29 -4.74 105.19 103.74 2png n GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 1.63 -0.25 1.61 2.07 -0.08 -2.97 116.25 118.25 2png h VAL 42 Ca 0.00 -2.21 -0.06 0.00 0.82 0.00 0.00 66.70 65.25 2png h VAL 42 Cb 0.02 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2png h VAL 42 CO 0.00 0.55 -0.08 -0.08 0.02 0.00 0.00 177.57 177.98 2png h GLU 43 N -0.99 0.40 -0.00 1.57 4.81 -0.92 0.58 114.58 120.02 2png h GLU 43 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2png h GLU 43 Cb 0.90 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2png h GLU 43 CO 0.00 0.50 0.00 0.28 -0.73 0.00 0.00 179.01 179.06 2png h VAL 44 N 0.38 1.01 -0.42 0.32 2.07 -1.68 -1.43 116.25 116.50 2png h VAL 44 Ca 0.08 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2png h VAL 44 Cb 0.39 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2png h VAL 44 CO 0.02 0.01 0.24 0.03 0.02 0.00 0.00 177.57 177.89 2png h ARG 45 N -0.01 0.47 0.00 1.57 3.08 -1.13 -1.02 114.38 117.35 2png h ARG 45 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2png h ARG 45 Cb 0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2png h ARG 45 CO -0.00 0.31 -0.02 1.96 -1.07 0.00 0.00 179.97 181.15 2png h GLN 46 N 0.49 0.00 0.00 0.04 4.20 -0.55 0.37 115.11 119.66 2png h GLN 46 Ca 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 2png h GLN 46 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2png h GLN 46 CO -0.09 0.02 -0.05 0.82 -0.67 0.00 0.00 178.83 178.86 2png h ILE 47 N 0.00 0.06 -0.29 2.54 2.04 -0.52 -3.29 117.51 118.06 2png h ILE 47 Ca -0.00 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 2png h ILE 47 Cb 0.06 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2png h ILE 47 CO 0.00 0.02 0.02 -0.07 0.00 0.00 0.00 178.15 178.13 2png h LEU 48 N -1.00 0.48 0.09 1.44 -0.00 -0.89 -1.18 115.31 114.25 2png h LEU 48 Ca -0.00 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2png h LEU 48 Cb 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2png h LEU 48 CO -0.00 0.64 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.96 2png h GLU 49 N 0.30 -0.12 0.00 1.13 4.81 0.34 -0.72 114.58 120.32 2png h GLU 49 Ca 0.08 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2png h GLU 49 Cb 0.38 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2png h GLU 49 CO 0.01 0.04 -0.02 0.00 -0.73 0.00 0.00 179.01 178.31 2png h ARG 50 N -0.25 0.00 0.00 1.92 3.08 -1.62 -1.78 114.38 115.73 2png h ARG 50 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 2png h ARG 50 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2png h ARG 50 CO 0.02 0.00 -1.76 0.39 -1.07 0.00 0.00 179.97 177.55 2png n GLU 51 N -2.87 2.18 0.00 0.04 1.02 -0.45 -4.78 120.64 115.79 2png n GLU 51 Ca 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2png n GLU 51 Cb 0.50 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2png n GLU 51 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2png n HIS 52 N -2.41 0.00 -3.13 -0.32 8.25 -0.52 -4.84 115.22 112.25 2png n HIS 52 Ca -0.18 -0.09 -0.04 0.00 -0.26 0.00 0.00 57.72 57.14 2png n HIS 52 Cb 0.86 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.98 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 -0.09 -7.46 -3.72 0.41 2.03 -0.39 -4.96 116.55 102.36 2png n ASP 53 Ca 0.00 -0.25 -0.29 0.00 0.52 0.00 0.00 54.79 54.77 2png n ASP 53 Cb 0.44 -5.21 -0.15 0.00 -0.72 0.00 0.00 41.12 35.48 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 -4.37 1.77 -0.56 -2.67 1.02 -0.78 -4.91 118.68 108.17 2png s LEU 54 Ca 0.11 -1.36 -0.14 0.00 0.02 0.00 0.00 54.13 52.76 2png s LEU 54 Cb -0.02 -0.74 0.14 0.00 0.02 0.00 0.00 46.19 45.59 2png s LEU 54 CO 0.75 -0.38 0.51 -0.69 0.02 0.00 0.00 176.35 176.55 2png s VAL 55 N 1.73 5.07 -0.41 -1.59 1.01 -1.26 -2.04 120.40 122.91 2png s VAL 55 Ca 0.06 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.25 2png s VAL 55 Cb -0.17 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.02 2png s VAL 55 CO -0.21 -0.87 0.26 -0.76 0.00 0.00 0.00 175.10 173.51 2png s LEU 56 N 1.37 5.05 0.00 3.92 2.01 -1.26 -4.99 118.68 124.78 2png s LEU 56 Ca 0.05 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 52.88 2png s LEU 56 Cb -0.27 -2.02 0.00 0.00 0.01 0.00 0.00 46.19 43.91 2png s LEU 56 CO 0.01 -0.50 0.96 -2.65 1.01 0.00 0.00 176.35 175.18 2png n PRO 57 N 4.98 0.73 0.00 1.29 -0.02 -1.26 -4.78 135.00 135.94 2png n PRO 57 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2png n PRO 57 Cb 0.44 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2png n PRO 57 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2png n ILE 58 N 0.96 0.00 0.30 4.25 -0.00 -1.26 -4.63 119.36 118.98 2png n ILE 58 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 62.75 62.94 2png n ILE 58 Cb 0.36 0.00 0.98 0.00 -0.00 0.00 0.00 39.64 40.99 2png n ILE 58 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 2png h ARG 59 N 0.00 0.00 -0.21 0.38 -0.00 -2.01 0.29 114.38 112.82 2png h ARG 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2png h ARG 59 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2png h ARG 59 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.36 2png n GLU 60 N -2.89 2.71 -0.02 0.08 1.02 -1.26 -4.55 120.64 115.72 2png n GLU 60 Ca -0.02 -2.23 -0.02 0.00 -0.02 0.00 0.00 57.16 54.87 2png n GLU 60 Cb 0.11 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 2png n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2png n VAL 61 N -0.22 0.24 0.21 2.62 0.31 0.63 -4.68 118.33 117.44 2png n VAL 61 Ca 0.13 -0.12 0.14 0.00 -0.01 0.00 0.00 64.34 64.48 2png n VAL 61 Cb 0.55 -0.76 0.75 0.00 -0.91 0.00 0.00 33.84 33.46 2png n VAL 61 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2png h ARG 62 N 0.00 0.00 -0.03 5.55 3.08 -0.85 -0.38 114.38 121.75 2png h ARG 62 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2png h ARG 62 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2png h ARG 62 CO -0.01 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.93 2png n GLN 63 N -2.46 2.02 -2.29 0.04 3.00 -1.26 -0.70 117.38 115.72 2png n GLN 63 Ca -0.02 -1.80 -0.43 0.00 -0.01 0.00 0.00 57.00 54.74 2png n GLN 63 Cb 0.05 -1.42 -0.02 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 -1.81 3.90 0.00 1.08 1.43 -0.15 -4.55 118.68 118.58 2png s LEU 64 Ca 0.25 1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 54.71 2png s LEU 64 Cb 0.18 -3.54 -0.17 0.00 0.03 0.00 0.00 46.19 42.70 2png s LEU 64 CO 0.27 -1.14 2.82 0.35 0.23 0.00 0.00 176.35 178.88 2png n THR 65 N 6.26 2.38 0.00 5.49 -2.24 -1.26 -1.54 114.28 123.37 2png n THR 65 Ca 0.16 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2png n THR 65 Cb 0.46 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 2.28 0.00 0.02 3.22 -0.00 -1.26 -3.55 117.00 117.70 2png n LEU 66 Ca 0.27 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.42 2png n LEU 66 Cb 0.70 0.00 0.57 0.00 -0.00 0.00 0.00 43.42 44.69 2png n LEU 66 CO 0.10 0.00 0.94 0.54 -0.00 0.00 0.00 177.39 178.97 2png n ARG 67 N 0.00 0.05 0.25 1.96 5.12 -1.26 -2.03 116.66 120.75 2png n ARG 67 Ca 0.00 0.05 0.16 0.00 -1.93 0.00 0.00 57.85 56.12 2png n ARG 67 Cb 0.00 -1.56 0.54 0.00 -1.16 0.00 0.00 32.46 30.29 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 -0.60 5.56 3.64 -1.88 -2.49 116.57 120.80 2png h LYS 68 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2png h LYS 68 Cb 0.53 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2png h LYS 68 CO 0.00 0.00 0.40 -0.07 -2.27 0.00 0.00 179.45 177.51 2png h LEU 69 N 0.00 0.60 -0.91 5.20 -0.00 -1.72 0.40 115.31 118.88 2png h LEU 69 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2png h LEU 69 Cb 0.63 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2png h LEU 69 CO 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 2png n GLN 70 N -4.46 1.58 -0.10 1.13 10.64 -0.94 -1.81 117.38 123.42 2png n GLN 70 Ca 0.07 -0.89 -0.13 0.00 -1.83 0.00 0.00 57.00 54.22 2png n GLN 70 Cb 0.14 -1.29 -0.12 0.00 -0.86 0.00 0.00 30.24 28.11 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 0.16 0.79 -0.95 2.61 2.13 -0.42 -4.41 120.64 120.56 2png n GLU 71 Ca 0.12 0.08 -0.09 0.00 0.66 0.00 0.00 57.16 57.93 2png n GLU 71 Cb 0.24 -1.44 0.23 0.00 0.27 0.00 0.00 31.44 30.74 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 -2.95 2.54 0.18 5.31 2.81 -0.00 -4.55 117.12 120.45 2png n MET 72 Ca -0.35 -3.07 0.05 0.00 -1.81 0.00 0.00 57.70 52.52 2png n MET 72 Cb 0.97 -2.03 0.33 0.00 -0.71 0.00 0.00 33.22 31.79 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 1.49 0.00 -5.03 7.83 4.64 -1.56 -3.48 113.55 117.43 2png h SER 73 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2png h SER 73 Cb 2.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.26 2png h SER 73 CO 0.68 0.39 -0.10 -0.24 -0.87 0.00 0.00 176.83 176.69 2png n SER 74 N -3.61 -7.05 -4.57 4.97 2.88 -1.26 -4.87 113.62 100.11 2png n SER 74 Ca -0.01 0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.34 2png n SER 74 Cb 0.50 -4.75 -0.09 0.00 -0.75 0.00 0.00 64.21 59.12 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2png s LYS 75 N -2.87 2.06 -0.21 -1.46 1.02 -1.26 -4.75 119.74 112.28 2png s LYS 75 Ca 0.05 -1.41 -0.09 0.00 0.02 0.00 0.00 55.97 54.54 2png s LYS 75 Cb -0.01 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 35.16 2png s LYS 75 CO 0.65 0.39 0.12 0.00 -0.92 0.00 0.00 175.35 175.59 2png s ALA 76 N -2.04 3.55 -0.15 5.17 0.00 -1.26 -4.94 121.76 122.09 2png s ALA 76 Ca 0.28 -0.79 0.15 0.00 0.00 0.00 0.00 51.96 51.60 2png s ALA 76 Cb -0.07 -2.14 0.33 0.00 0.00 0.00 0.00 23.12 21.24 2png s ALA 76 CO 0.17 0.02 1.17 0.41 0.00 0.00 0.00 175.76 177.52 2png n GLY 77 N 3.85 4.62 2.82 0.00 0.00 -1.26 -4.95 105.19 110.26 2png n GLY 77 Ca -0.16 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 2png n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2png s SER 78 N -2.88 3.88 -0.06 1.61 1.04 -1.26 -4.95 113.70 111.08 2png s SER 78 Ca 0.33 -1.45 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 2png s SER 78 Cb 0.30 -0.98 -0.28 0.00 0.10 0.00 0.00 66.02 65.16 2png s SER 78 CO -0.02 -0.35 0.92 -0.78 0.98 0.00 0.00 173.24 173.99 2png h ASP 79 N 8.03 0.35 -3.66 7.02 3.58 -2.05 -3.41 116.42 126.27 2png h ASP 79 Ca -0.14 -0.91 -0.70 0.00 0.42 0.00 0.00 57.03 55.71 2png h ASP 79 Cb 1.05 -0.11 -0.28 0.00 1.72 0.00 0.00 39.33 41.71 2png h ASP 79 CO 0.44 1.23 -0.60 -0.89 -2.88 0.00 0.00 179.24 176.54 2png s THR 80 N -2.60 3.89 0.96 2.25 2.01 -1.26 -5.08 115.64 115.80 2png s THR 80 Ca -0.15 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.67 2png s THR 80 Cb 0.00 -3.18 0.16 0.00 0.01 0.00 0.00 72.50 69.50 2png s THR 80 CO 0.79 -0.16 1.09 -1.83 -0.69 0.00 0.00 174.62 173.82 2png s GLU 81 N 1.43 0.77 -0.12 4.92 -1.05 -1.26 -4.97 118.70 118.42 2png s GLU 81 Ca -0.01 0.73 -0.24 0.00 -0.15 0.00 0.00 54.97 55.31 2png s GLU 81 Cb -0.19 -1.76 -0.03 0.00 -0.44 0.00 0.00 34.13 31.71 2png s GLU 81 CO 0.03 -2.56 0.75 -0.51 0.95 0.00 0.00 175.26 173.92 2png s LEU 82 N -6.40 4.25 0.12 1.83 2.01 -1.26 -4.87 118.68 114.35 2png s LEU 82 Ca 0.65 1.16 0.25 0.00 0.01 0.00 0.00 54.13 56.19 2png s LEU 82 Cb -0.19 -3.13 0.52 0.00 0.01 0.00 0.00 46.19 43.40 2png s LEU 82 CO 0.58 -0.24 1.47 0.00 1.01 0.00 0.00 176.35 179.17 2png n ALA 83 N 4.46 2.82 -2.40 4.21 0.00 -1.26 -4.68 120.51 123.66 2png n ALA 83 Ca 0.01 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 2png n ALA 83 Cb 0.50 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.12 3.26 -0.48 0.00 0.00 -1.26 -4.93 121.76 115.23 2png s ALA 84 Ca 0.08 0.48 -0.40 0.00 0.00 0.00 0.00 51.96 52.11 2png s ALA 84 Cb 0.14 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.89 2png s ALA 84 CO 0.68 -0.04 2.19 -2.30 0.00 0.00 0.00 175.76 176.28 2png n PRO 85 N 3.03 0.36 -0.05 0.00 -0.02 -1.26 -4.82 135.00 132.24 2png n PRO 85 Ca 0.02 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 2png n PRO 85 Cb 0.50 -1.83 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 2png n PRO 85 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2png n LYS 86 N 7.79 0.68 -3.04 -0.52 3.00 -1.26 -4.55 118.16 120.26 2png n LYS 86 Ca 0.51 0.20 -0.15 0.00 -0.00 0.00 0.00 58.31 58.87 2png n LYS 86 Cb 0.06 -1.67 0.01 0.00 0.00 0.00 0.00 35.03 33.42 2png n LYS 86 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2png n SER 87 N -3.14 -0.23 0.00 3.14 3.41 -1.26 -4.92 113.62 110.63 2png n SER 87 Ca -0.29 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 2png n SER 87 Cb 1.06 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 2png n SER 87 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2png n LYS 88 N 0.37 0.00 0.00 4.33 4.81 -1.26 -5.28 118.16 121.13 2png n LYS 88 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2png n LYS 88 Cb 0.67 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.67 2png n LYS 88 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66