#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 1.98 0.00 1.61 1.11 -1.24 -4.31 116.67 115.83 2png s ASP 2 Ca 0.00 0.87 0.00 0.00 0.18 0.00 0.00 52.55 53.60 2png s ASP 2 Cb 0.00 -1.32 0.00 0.00 1.07 0.00 0.00 42.92 42.67 2png s ASP 2 CO 0.00 -3.49 0.00 0.61 1.18 0.00 0.00 175.17 173.47 2png n GLY 3 N -1.28 1.75 0.12 0.21 0.00 -1.26 -4.66 105.19 100.07 2png n GLY 3 Ca 0.09 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 2png n GLY 3 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2png h GLU 4 N 0.00 0.23 -3.35 1.61 4.81 -2.05 -3.39 114.58 112.44 2png h GLU 4 Ca 0.00 -0.39 -0.73 0.00 -0.13 0.00 0.00 59.36 58.11 2png h GLU 4 Cb 0.00 0.15 -0.34 0.00 0.63 0.00 0.00 28.75 29.19 2png h GLU 4 CO 0.00 1.19 0.06 0.00 -0.73 0.00 0.00 179.01 179.52 2png n ALA 5 N -2.96 3.94 -1.79 2.92 0.00 -1.26 -5.01 120.51 116.35 2png n ALA 5 Ca -0.24 -4.62 -0.41 0.00 0.00 0.00 0.00 53.44 48.16 2png n ALA 5 Cb 0.88 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.41 4.16 0.14 0.00 0.74 -1.26 -3.64 119.66 118.38 2png s GLN 6 Ca 0.29 2.51 -0.31 0.00 0.05 0.00 0.00 55.36 57.89 2png s GLN 6 Cb -0.07 -3.02 -0.11 0.00 1.10 0.00 0.00 33.01 30.91 2png s GLN 6 CO -0.11 -0.53 1.82 0.50 -0.55 0.00 0.00 175.29 176.42 2png s ARG 7 N -1.17 4.13 0.47 1.67 3.52 -1.26 -4.93 118.95 121.39 2png s ARG 7 Ca 0.58 2.61 -0.24 0.00 -0.13 0.00 0.00 55.73 58.54 2png s ARG 7 Cb -0.46 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.33 2png s ARG 7 CO 0.53 -0.84 1.42 -0.51 -0.81 0.00 0.00 175.30 175.09 2png s ASP 8 N 2.53 5.73 0.50 -2.12 1.01 -1.26 -4.90 116.67 118.15 2png s ASP 8 Ca 0.80 2.90 0.28 0.00 0.71 0.00 0.00 52.55 57.24 2png s ASP 8 Cb -0.47 -2.65 1.23 0.00 1.01 0.00 0.00 42.92 42.05 2png s ASP 8 CO 0.36 -1.27 1.95 -0.07 0.21 0.00 0.00 175.17 176.35 2png h LEU 9 N 2.13 0.00 -0.21 1.23 3.38 -1.87 -1.13 115.31 118.83 2png h LEU 9 Ca -0.51 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.24 2png h LEU 9 Cb 1.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.03 2png h LEU 9 CO 0.60 0.14 -0.85 0.58 0.09 0.00 0.00 178.44 179.00 2png h VAL 10 N 0.00 1.34 -0.27 1.22 2.07 -1.83 0.47 116.25 119.25 2png h VAL 10 Ca -0.00 -2.19 -0.12 0.00 0.82 0.00 0.00 66.70 65.21 2png h VAL 10 Cb 0.55 2.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 2png h VAL 10 CO 0.02 0.67 0.15 0.29 0.02 0.00 0.00 177.57 178.72 2png n LYS 11 N -3.84 1.55 0.07 1.57 4.01 -0.47 -2.02 118.16 119.03 2png n LYS 11 Ca -0.07 -0.91 0.00 0.00 -0.51 0.00 0.00 58.31 56.82 2png n LYS 11 Cb 0.78 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 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 0.05 2.75 -0.03 7.82 0.00 -0.97 -4.75 120.51 125.38 2png n ALA 12 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2png n ALA 12 Cb 0.78 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.13 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 1.47 0.00 0.00 2.07 -0.15 -1.49 116.25 118.15 2png h VAL 13 Ca 0.00 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 2png h VAL 13 Cb 0.00 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2png h VAL 13 CO 0.00 0.42 -0.40 0.00 0.02 0.00 0.00 177.57 177.61 2png h ALA 14 N 0.40 1.16 0.00 1.67 0.00 -1.44 -1.61 119.26 119.44 2png h ALA 14 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2png h ALA 14 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2png h ALA 14 CO 0.02 0.50 -0.13 1.25 0.00 0.00 0.00 179.25 180.89 2png h HIS 15 N 0.00 0.00 -0.43 0.00 6.17 -1.20 0.25 115.15 119.94 2png h HIS 15 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 60.99 2png h HIS 15 Cb 0.80 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.71 2png h HIS 15 CO 0.00 0.13 -0.09 0.82 0.71 0.00 0.00 177.93 179.50 2png h ILE 16 N 0.00 1.25 0.00 6.26 1.08 -0.24 -2.93 117.51 122.93 2png h ILE 16 Ca -0.00 -1.13 -0.18 0.00 -0.39 0.00 0.00 64.86 63.16 2png h ILE 16 Cb 0.50 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 2png h ILE 16 CO 0.02 0.39 -1.23 -0.07 -0.69 0.00 0.00 178.15 176.57 2png h LEU 17 N 0.69 0.00 -0.09 1.44 3.38 -1.33 -3.48 115.31 115.92 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 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2png h LEU 17 CO 0.03 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.86 2png n GLY 18 N 1.38 0.65 2.98 0.83 0.00 0.61 -5.12 105.19 106.53 2png n GLY 18 Ca -0.07 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.39 0.46 0.00 -0.61 -4.36 0.32 -4.97 121.20 110.65 2png s ILE 19 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 2png s ILE 19 Cb 0.00 -0.42 0.00 0.00 1.25 0.00 0.00 42.46 43.29 2png s ILE 19 CO 0.00 0.02 0.00 -1.14 0.24 0.00 0.00 174.94 174.06 2png n ARG 20 N 2.65 0.00 0.10 0.37 0.63 -1.26 -3.41 116.66 115.74 2png n ARG 20 Ca -0.15 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.60 2png n ARG 20 Cb 0.57 -0.27 -0.12 0.00 0.45 0.00 0.00 32.46 33.10 2png n ARG 20 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2png h ASP 21 N 0.00 0.58 -0.98 6.15 3.04 -2.00 -3.47 116.42 119.75 2png h ASP 21 Ca 0.00 -0.58 -0.39 0.00 -3.24 0.00 0.00 57.03 52.82 2png h ASP 21 Cb 0.00 -0.19 -0.15 0.00 -1.04 0.00 0.00 39.33 37.95 2png h ASP 21 CO 0.00 1.42 -0.36 0.18 -2.04 0.00 0.00 179.24 178.45 2png n LEU 22 N -3.65 -1.34 -4.56 0.15 7.99 -1.26 -4.87 117.00 109.45 2png n LEU 22 Ca -0.10 0.47 -0.41 0.00 -0.01 0.00 0.00 56.01 55.96 2png n LEU 22 Cb 0.99 -2.78 -0.02 0.00 -0.11 0.00 0.00 43.42 41.50 2png n LEU 22 CO 0.55 -1.06 1.59 0.00 -1.51 0.00 0.00 177.39 176.97 2png s ALA 23 N -2.62 2.84 0.00 -1.18 0.00 -1.26 -2.01 121.76 117.53 2png s ALA 23 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.55 2png s ALA 23 Cb 0.00 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2png s ALA 23 CO 0.00 -3.55 0.00 0.41 0.00 0.00 0.00 175.76 172.62 2png n GLY 24 N 6.56 1.21 3.84 0.00 0.00 -1.26 -5.12 105.19 110.42 2png n GLY 24 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.47 4.85 0.19 -0.61 1.09 -0.85 -5.07 121.20 120.34 2png s ILE 25 Ca 0.00 -0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 58.53 2png s ILE 25 Cb 0.00 -3.40 -0.08 0.00 -1.06 0.00 0.00 42.46 37.92 2png s ILE 25 CO 0.00 0.05 1.11 0.20 -0.10 0.00 0.00 174.94 176.20 2png s ASN 26 N -2.69 7.25 0.00 3.58 0.01 -1.26 -4.89 114.94 116.94 2png s ASN 26 Ca 0.32 2.12 0.15 0.00 -0.71 0.00 0.00 52.86 54.74 2png s ASN 26 Cb -0.12 -2.61 0.27 0.00 0.41 0.00 0.00 41.25 39.21 2png s ASN 26 CO 0.25 -0.23 1.17 0.18 -1.51 0.00 0.00 177.10 176.96 2png n LEU 27 N 2.27 2.77 -3.19 0.60 4.77 -1.26 -4.49 117.00 118.46 2png n LEU 27 Ca 0.02 -1.52 -0.23 0.00 -0.03 0.00 0.00 56.01 54.25 2png n LEU 27 Cb 0.46 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2png n LEU 27 CO 0.54 0.62 -0.12 -0.67 -1.33 0.00 0.00 177.39 176.42 2png n ASP 28 N 0.85 1.86 -3.67 -1.43 2.03 -1.26 -4.66 116.55 110.27 2png n ASP 28 Ca 0.12 -3.11 -0.15 0.00 0.52 0.00 0.00 54.79 52.17 2png n ASP 28 Cb 0.43 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 40.13 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 -2.21 -0.39 0.58 1.67 0.01 -1.26 -5.12 113.70 106.97 2png s SER 29 Ca 0.40 0.39 -0.20 0.00 1.31 0.00 0.00 55.95 57.86 2png s SER 29 Cb 0.24 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2png s SER 29 CO -0.09 -0.48 1.24 -0.44 0.41 0.00 0.00 173.24 173.88 2png s SER 30 N -1.13 5.24 0.58 2.44 0.01 -1.26 -3.88 113.70 115.69 2png s SER 30 Ca -0.11 2.47 0.29 0.00 1.31 0.00 0.00 55.95 59.91 2png s SER 30 Cb -0.03 -2.61 1.77 0.00 0.21 0.00 0.00 66.02 65.36 2png s SER 30 CO 0.06 -1.57 2.23 0.25 0.41 0.00 0.00 173.24 174.63 2png h LEU 31 N 1.07 0.00 -0.23 2.44 5.85 -0.73 -0.63 115.31 123.08 2png h LEU 31 Ca -0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 2png h LEU 31 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2png h LEU 31 CO 0.56 0.02 0.12 0.00 -0.34 0.00 0.00 178.44 178.79 2png h ALA 32 N 1.98 0.29 -0.06 1.25 0.00 -1.36 -1.95 119.26 119.42 2png h ALA 32 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2png h ALA 32 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2png h ALA 32 CO 0.00 -0.17 -0.02 -0.44 0.00 0.00 0.00 179.25 178.63 2png h ASP 33 N 0.25 0.08 0.11 0.00 5.19 -1.39 -1.97 116.42 118.68 2png h ASP 33 Ca 0.08 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2png h ASP 33 Cb 0.08 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2png h ASP 33 CO -0.01 0.12 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.10 2png h LEU 34 N 0.09 -0.12 0.00 1.55 3.38 -1.34 -3.46 115.31 115.40 2png h LEU 34 Ca 0.02 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2png h LEU 34 Cb 0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2png h LEU 34 CO 0.00 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.55 2png n GLY 35 N 0.38 0.00 3.08 0.83 0.00 -0.78 -5.13 105.19 103.58 2png n GLY 35 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2png n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2png s LEU 36 N 0.00 1.85 0.00 0.99 2.96 -0.90 -4.76 118.68 118.82 2png s LEU 36 Ca 0.00 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2png s LEU 36 Cb 0.00 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2png s LEU 36 CO 0.00 0.02 0.00 -0.67 -1.32 0.00 0.00 176.35 174.38 2png n ASP 37 N 4.30 0.00 0.00 3.68 2.03 -1.26 -4.21 116.55 121.09 2png n ASP 37 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2png n ASP 37 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2png n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2png n SER 38 N 0.00 0.00 -0.04 1.67 7.64 -1.26 -4.95 113.62 116.68 2png n SER 38 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2png n SER 38 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 2png n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2png h LEU 39 N 0.00 0.65 0.00 -3.43 5.85 -1.98 -2.87 115.31 113.52 2png h LEU 39 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2png h LEU 39 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2png h LEU 39 CO 0.00 0.88 0.00 0.23 -0.34 0.00 0.00 178.44 179.21 2png n MET 40 N -4.11 0.57 0.00 1.25 2.81 -1.26 -1.33 117.12 115.05 2png n MET 40 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2png n MET 40 Cb 0.43 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 0.08 0.00 0.17 3.03 0.00 -1.11 -4.66 105.19 102.71 2png n GLY 41 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 1.31 -0.04 1.61 2.07 -1.16 -2.51 116.25 117.53 2png h VAL 42 Ca 0.00 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 2png h VAL 42 Cb 0.87 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2png h VAL 42 CO 0.00 0.38 -0.20 -0.08 0.02 0.00 0.00 177.57 177.70 2png h GLU 43 N 0.23 0.06 -0.35 1.57 4.81 -1.50 -1.61 114.58 117.79 2png h GLU 43 Ca 0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2png h GLU 43 Cb 0.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2png h GLU 43 CO 0.04 0.26 0.18 0.28 -0.73 0.00 0.00 179.01 179.04 2png h VAL 44 N 0.05 1.15 -0.76 0.32 2.07 -1.74 -2.05 116.25 115.29 2png h VAL 44 Ca 0.01 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2png h VAL 44 Cb 0.38 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2png h VAL 44 CO 0.03 0.15 0.48 0.03 0.02 0.00 0.00 177.57 178.28 2png h ARG 45 N 0.44 0.91 0.00 1.57 3.08 -0.88 -0.49 114.38 119.01 2png h ARG 45 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2png h ARG 45 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2png h ARG 45 CO -0.02 0.60 0.00 1.04 -1.07 0.00 0.00 179.97 180.52 2png n GLN 46 N -4.62 0.58 -0.06 0.04 6.02 -0.72 0.09 117.38 118.71 2png n GLN 46 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 2png n GLN 46 Cb 0.08 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 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 -0.99 1.31 -0.03 5.09 5.41 -0.45 -4.42 119.36 125.27 2png n ILE 47 Ca 0.14 0.07 -0.14 0.00 1.00 0.00 0.00 62.75 63.82 2png n ILE 47 Cb 0.06 -2.00 -0.11 0.00 -0.71 0.00 0.00 39.64 36.88 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 -0.69 0.13 -1.09 1.39 -0.00 -0.83 -1.95 115.31 112.27 2png h LEU 48 Ca -0.16 -0.67 -0.05 0.00 -0.00 0.00 0.00 57.88 57.00 2png h LEU 48 Cb 0.93 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 2png h LEU 48 CO -0.09 0.78 0.05 -0.08 -0.00 0.00 0.00 178.44 179.10 2png h GLU 49 N -0.51 0.70 0.15 1.13 4.81 0.73 0.10 114.58 121.69 2png h GLU 49 Ca -0.01 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2png h GLU 49 Cb 0.78 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2png h GLU 49 CO 0.02 0.68 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.82 2png h ARG 50 N 0.67 -0.19 0.14 1.92 9.65 -1.58 -2.70 114.38 122.29 2png h ARG 50 Ca 0.14 0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.68 2png h ARG 50 Cb 0.34 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2png h ARG 50 CO 0.01 0.25 -1.91 0.93 2.80 0.00 0.00 179.97 182.04 2png h GLU 51 N -0.87 0.30 -0.01 0.20 4.39 -1.34 -3.39 114.58 113.85 2png h GLU 51 Ca -0.02 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2png h GLU 51 Cb 0.53 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2png h GLU 51 CO 0.03 1.23 -0.09 0.72 -1.16 0.00 0.00 179.01 179.74 2png n HIS 52 N -3.51 0.00 -1.29 4.33 8.25 0.18 -4.98 115.22 118.21 2png n HIS 52 Ca -0.29 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.07 2png n HIS 52 Cb 1.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.12 2png n HIS 52 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2png n ASP 53 N 0.20 -4.38 -4.46 0.41 9.92 -0.21 -4.94 116.55 113.09 2png n ASP 53 Ca 0.05 0.25 -0.43 0.00 -0.53 0.00 0.00 54.79 54.13 2png n ASP 53 Cb 0.23 -2.76 -0.04 0.00 -0.64 0.00 0.00 41.12 37.92 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2png s LEU 54 N -2.26 4.45 -0.94 0.64 1.02 -0.89 -4.82 118.68 115.87 2png s LEU 54 Ca 0.00 -0.89 -0.23 0.00 0.02 0.00 0.00 54.13 53.03 2png s LEU 54 Cb 0.00 -2.49 0.06 0.00 0.02 0.00 0.00 46.19 43.78 2png s LEU 54 CO 0.00 -1.33 1.35 -0.69 0.02 0.00 0.00 176.35 175.70 2png s VAL 55 N 3.83 4.03 -0.52 -1.59 1.01 -1.26 -1.53 120.40 124.37 2png s VAL 55 Ca 0.22 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2png s VAL 55 Cb -0.17 -4.98 0.09 0.00 0.00 0.00 0.00 36.38 31.32 2png s VAL 55 CO 0.12 -1.84 0.53 -0.76 0.00 0.00 0.00 175.10 173.15 2png s LEU 56 N 4.70 5.55 0.76 3.92 1.43 -1.26 -5.04 118.68 128.74 2png s LEU 56 Ca 0.41 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 2png s LEU 56 Cb -0.03 -2.27 0.05 0.00 0.03 0.00 0.00 46.19 43.97 2png s LEU 56 CO -0.05 -0.83 1.09 -2.84 0.23 0.00 0.00 176.35 173.95 2png s PRO 57 N 2.05 2.39 0.53 1.29 0.02 -1.26 -4.52 135.00 135.50 2png s PRO 57 Ca 0.08 0.63 0.25 0.00 0.02 0.00 0.00 61.00 61.98 2png s PRO 57 Cb -0.24 -1.95 1.48 0.00 0.02 0.00 0.00 34.50 33.81 2png s PRO 57 CO 0.07 -1.41 2.12 0.82 -0.33 0.00 0.00 177.00 178.28 2png h ILE 58 N -0.93 0.68 -0.67 2.83 5.03 -1.97 -0.66 117.51 121.83 2png h ILE 58 Ca -0.46 -0.34 0.15 0.00 -0.12 0.00 0.00 64.86 64.08 2png h ILE 58 Cb 1.26 1.21 -0.04 0.00 -3.03 0.00 0.00 36.82 36.22 2png h ILE 58 CO 0.60 0.08 0.46 0.03 -0.68 0.00 0.00 178.15 178.64 2png h ARG 59 N 0.00 0.26 0.00 2.37 -0.00 -2.00 0.13 114.38 115.13 2png h ARG 59 Ca -0.00 -0.02 -0.29 0.00 -0.50 0.00 0.00 59.98 59.17 2png h ARG 59 Cb 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 29.97 30.06 2png h ARG 59 CO 0.01 0.17 -2.10 0.39 0.00 0.00 0.00 179.97 178.44 2png n GLU 60 N -4.44 0.97 0.17 0.04 1.02 -0.52 -4.50 120.64 113.37 2png n GLU 60 Ca 0.12 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.33 2png n GLU 60 Cb 0.55 -1.40 0.32 0.00 -0.02 0.00 0.00 31.44 30.89 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 1.29 0.00 2.62 2.07 -0.86 -3.08 116.25 118.29 2png h VAL 61 Ca -0.43 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2png h VAL 61 Cb 1.82 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2png h VAL 61 CO -0.02 0.40 0.00 -1.14 0.02 0.00 0.00 177.57 176.83 2png n ARG 62 N -4.06 0.01 -0.12 1.57 0.63 0.41 -1.33 116.66 113.76 2png n ARG 62 Ca -0.02 0.30 0.04 0.00 -0.92 0.00 0.00 57.85 57.25 2png n ARG 62 Cb 0.44 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.95 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 -1.49 2.91 -2.41 -0.14 0.00 -1.16 -1.28 117.38 113.81 2png n GLN 63 Ca 0.03 -1.88 -0.43 0.00 0.00 0.00 0.00 57.00 54.72 2png n GLN 63 Cb 0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 30.24 29.16 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 -1.00 4.24 0.00 2.61 1.43 -0.44 -4.48 118.68 121.03 2png s LEU 64 Ca 0.16 1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 55.00 2png s LEU 64 Cb 0.08 -3.55 -0.26 0.00 0.03 0.00 0.00 46.19 42.49 2png s LEU 64 CO 0.11 -0.68 3.57 0.35 0.23 0.00 0.00 176.35 179.92 2png n THR 65 N 4.98 2.94 0.00 5.49 -2.24 -1.25 -2.03 114.28 122.17 2png n THR 65 Ca 0.13 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2png n THR 65 Cb 0.45 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 2.51 0.00 0.21 3.22 -0.00 -1.26 -3.71 117.00 117.97 2png n LEU 66 Ca 0.42 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.51 2png n LEU 66 Cb 0.90 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.78 2png n LEU 66 CO 0.12 0.00 0.78 0.03 -0.00 0.00 0.00 177.39 178.32 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.88 -1.56 114.38 115.37 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 0.28 -0.02 -0.22 0.56 0.00 0.00 179.97 180.57 2png h LYS 68 N 0.00 0.00 -0.98 0.04 3.64 -1.89 -0.89 116.57 116.49 2png h LYS 68 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2png h LYS 68 Cb 0.70 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 2png h LYS 68 CO 0.04 0.02 0.63 -0.07 -2.27 0.00 0.00 179.45 177.80 2png h LEU 69 N 0.00 1.03 -1.30 5.20 -0.00 -1.59 -1.10 115.31 117.55 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 0.15 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2png h LEU 69 CO 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 178.44 179.11 2png n GLN 70 N -4.50 1.84 -0.01 1.13 10.64 -0.35 -1.22 117.38 124.90 2png n GLN 70 Ca 0.14 -1.28 0.02 0.00 -1.83 0.00 0.00 57.00 54.05 2png n GLN 70 Cb 0.16 -1.34 -0.12 0.00 -0.86 0.00 0.00 30.24 28.07 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 0.52 0.65 -0.23 2.61 4.07 -0.52 -4.05 120.64 123.70 2png n GLU 71 Ca 0.14 0.01 0.07 0.00 -0.06 0.00 0.00 57.16 57.32 2png n GLU 71 Cb 0.33 -1.64 0.19 0.00 -0.06 0.00 0.00 31.44 30.26 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2png n MET 72 N -2.62 2.87 0.00 5.31 2.81 -0.60 -4.60 117.12 120.29 2png n MET 72 Ca -0.13 -2.19 0.10 0.00 -1.81 0.00 0.00 57.70 53.67 2png n MET 72 Cb 0.81 -1.35 0.59 0.00 -0.71 0.00 0.00 33.22 32.55 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 0.67 0.00 -3.52 7.83 3.41 -0.36 -4.84 113.62 116.81 2png n SER 73 Ca 0.14 -1.38 -0.24 0.00 -0.26 0.00 0.00 58.87 57.13 2png n SER 73 Cb 0.48 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.81 -6.16 -4.43 4.04 7.64 -1.26 -4.79 113.62 107.85 2png n SER 74 Ca 0.15 -0.51 -0.44 0.00 1.01 0.00 0.00 58.87 59.08 2png n SER 74 Cb 0.07 -4.87 -0.09 0.00 -1.01 0.00 0.00 64.21 58.31 2png n SER 74 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2png s LYS 75 N -6.23 2.99 -0.23 1.43 2.47 -1.26 -4.45 119.74 114.46 2png s LYS 75 Ca 0.54 -1.12 -0.02 0.00 -1.56 0.00 0.00 55.97 53.81 2png s LYS 75 Cb -0.24 -4.05 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 2png s LYS 75 CO 0.67 -0.90 0.24 0.00 0.16 0.00 0.00 175.35 175.52 2png n ALA 76 N 5.28 -2.22 -3.15 3.13 0.00 -1.26 -5.09 120.51 117.20 2png n ALA 76 Ca -0.11 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2png n ALA 76 Cb 0.46 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.12 -0.34 -0.69 0.00 0.00 -1.26 -5.10 107.32 97.82 2png s GLY 77 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.83 2png s GLY 77 CO 0.27 -0.18 0.49 -0.56 0.00 0.00 0.00 173.10 173.12 2png s SER 78 N -2.80 5.01 -0.05 1.64 0.01 -1.26 -4.74 113.70 111.50 2png s SER 78 Ca 0.03 -3.46 0.02 0.00 1.31 0.00 0.00 55.95 53.85 2png s SER 78 Cb 0.01 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 2png s SER 78 CO -0.11 -0.19 -0.02 -0.90 0.41 0.00 0.00 173.24 172.43 2png n ASP 79 N 2.57 3.66 0.00 2.44 5.75 -1.26 -4.78 116.55 124.93 2png n ASP 79 Ca 0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 2png n ASP 79 Cb 0.35 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2png n ASP 79 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2png n THR 80 N -2.47 0.00 -3.78 2.12 5.66 -1.26 -5.03 114.28 109.52 2png n THR 80 Ca -0.09 -0.08 -0.13 0.00 -3.05 0.00 0.00 64.05 60.70 2png n THR 80 Cb 0.63 0.55 -0.11 0.00 -1.55 0.00 0.00 70.33 69.85 2png n THR 80 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2png s GLU 81 N -1.65 0.39 -1.09 1.09 -1.05 -1.26 -5.09 118.70 110.04 2png s GLU 81 Ca 0.00 0.24 -0.12 0.00 -0.15 0.00 0.00 54.97 54.94 2png s GLU 81 Cb 0.00 0.18 0.23 0.00 -0.44 0.00 0.00 34.13 34.10 2png s GLU 81 CO 0.00 -0.07 1.15 -1.17 0.95 0.00 0.00 175.26 176.13 2png s LEU 82 N -0.19 5.95 -0.49 1.83 2.96 -1.26 -4.16 118.68 123.33 2png s LEU 82 Ca -0.03 -3.19 0.03 0.00 -0.22 0.00 0.00 54.13 50.72 2png s LEU 82 Cb -0.03 -2.28 0.13 0.00 0.50 0.00 0.00 46.19 44.51 2png s LEU 82 CO 0.01 -0.51 0.23 0.00 -1.32 0.00 0.00 176.35 174.76 2png s ALA 83 N 0.00 3.25 -0.25 5.97 0.00 -1.26 -5.03 121.76 124.44 2png s ALA 83 Ca 0.32 -3.12 -0.03 0.00 0.00 0.00 0.00 51.96 49.14 2png s ALA 83 Cb -0.08 -2.16 0.14 0.00 0.00 0.00 0.00 23.12 21.02 2png s ALA 83 CO -0.06 -1.96 0.43 0.00 0.00 0.00 0.00 175.76 174.17 2png s ALA 84 N -0.02 -1.34 -1.27 0.00 0.00 -1.26 -4.84 121.76 113.04 2png s ALA 84 Ca 0.16 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 2png s ALA 84 Cb -0.24 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.14 2png s ALA 84 CO -0.02 -1.22 1.95 -2.30 0.00 0.00 0.00 175.76 174.16 2png n PRO 85 N 5.38 2.63 0.00 0.00 -0.02 -1.26 -4.60 135.00 137.14 2png n PRO 85 Ca -0.04 -2.76 0.13 0.00 -2.02 0.00 0.00 63.50 58.81 2png n PRO 85 Cb 0.50 -3.39 0.32 0.00 -0.02 0.00 0.00 33.50 30.91 2png n PRO 85 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2png n LYS 86 N 7.48 1.09 -3.39 -0.52 2.85 -1.26 -4.70 118.16 119.71 2png n LYS 86 Ca 0.49 -0.71 -0.44 0.00 -1.05 0.00 0.00 58.31 56.60 2png n LYS 86 Cb 0.43 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.25 2png n LYS 86 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2png s SER 87 N -2.40 6.12 0.06 -5.58 0.01 -1.26 -4.83 113.70 105.82 2png s SER 87 Ca 0.25 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2png s SER 87 Cb 0.19 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2png s SER 87 CO 0.49 -0.68 0.00 0.29 0.41 0.00 0.00 173.24 173.76 2png n LYS 88 N 5.19 0.00 0.00 12.44 5.02 -1.26 -5.24 118.16 134.31 2png n LYS 88 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2png n LYS 88 Cb 0.43 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 2png n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97