#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 -0.45 0.12 1.61 -4.77 -1.26 -5.03 116.67 106.89 2png s ASP 2 Ca 0.00 0.44 0.17 0.00 -3.30 0.00 0.00 52.55 49.85 2png s ASP 2 Cb 0.00 0.38 -0.08 0.00 -1.09 0.00 0.00 42.92 42.13 2png s ASP 2 CO 0.00 -0.46 0.99 1.23 0.70 0.00 0.00 175.17 177.63 2png h GLY 3 N 2.61 0.00 -4.22 2.12 0.00 -2.09 -3.47 103.07 98.01 2png h GLY 3 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2png h GLY 3 CO 0.33 0.00 0.03 -1.83 0.00 0.00 0.00 176.54 175.07 2png s GLU 4 N -2.96 0.92 0.35 4.80 1.03 -1.26 -5.15 118.70 116.42 2png s GLU 4 Ca -0.01 0.14 0.07 0.00 0.03 0.00 0.00 54.97 55.20 2png s GLU 4 Cb 0.08 0.43 -0.01 0.00 -0.80 0.00 0.00 34.13 33.83 2png s GLU 4 CO 0.79 -0.27 0.47 0.00 -1.33 0.00 0.00 175.26 174.92 2png s ALA 5 N -1.16 4.25 -0.15 -0.84 0.00 -1.26 -5.05 121.76 117.55 2png s ALA 5 Ca -0.11 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.05 2png s ALA 5 Cb -0.02 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2png s ALA 5 CO 0.08 -0.06 1.12 -1.14 0.00 0.00 0.00 175.76 175.76 2png s GLN 6 N -4.18 4.31 0.36 0.00 0.74 -1.26 -5.01 119.66 114.62 2png s GLN 6 Ca 0.46 1.51 -0.01 0.00 0.05 0.00 0.00 55.36 57.37 2png s GLN 6 Cb -0.09 -3.63 0.07 0.00 1.10 0.00 0.00 33.01 30.46 2png s GLN 6 CO 0.31 -0.53 0.50 2.89 -0.55 0.00 0.00 175.29 177.90 2png n ARG 7 N 5.83 0.21 -3.05 1.67 1.85 -1.26 -5.09 116.66 116.82 2png n ARG 7 Ca 0.11 -1.31 -0.28 0.00 -1.00 0.00 0.00 57.85 55.38 2png n ARG 7 Cb 0.46 -0.34 -0.02 0.00 -1.05 0.00 0.00 32.46 31.51 2png n ARG 7 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2png s ASP 8 N -3.01 6.40 0.25 2.89 2.15 -1.26 -4.99 116.67 119.10 2png s ASP 8 Ca 0.33 0.84 0.13 0.00 0.43 0.00 0.00 52.55 54.28 2png s ASP 8 Cb -0.02 -2.20 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2png s ASP 8 CO 0.22 -0.35 1.43 -0.07 -0.17 0.00 0.00 175.17 176.22 2png h LEU 9 N 1.09 0.00 -0.38 -1.34 3.38 -1.88 -2.94 115.31 113.24 2png h LEU 9 Ca -0.48 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 2png h LEU 9 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2png h LEU 9 CO 0.64 0.61 -0.60 0.58 0.09 0.00 0.00 178.44 179.76 2png h VAL 10 N 0.00 1.16 0.00 1.22 2.07 -1.86 0.39 116.25 119.22 2png h VAL 10 Ca -0.01 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2png h VAL 10 Cb 1.44 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2png h VAL 10 CO 0.08 0.59 0.00 0.29 0.02 0.00 0.00 177.57 178.55 2png n LYS 11 N -3.43 0.94 0.01 1.57 4.01 -1.12 -2.41 118.16 117.72 2png n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2png n LYS 11 Cb 0.70 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.83 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 -0.89 3.00 0.06 7.82 0.00 -0.89 -4.53 120.51 125.08 2png n ALA 12 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2png n ALA 12 Cb 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 0.98 -0.06 0.00 2.07 -0.40 -0.41 116.25 118.43 2png h VAL 13 Ca 0.00 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 2png h VAL 13 Cb 0.00 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2png h VAL 13 CO 0.00 0.03 -0.49 0.00 0.02 0.00 0.00 177.57 177.14 2png h ALA 14 N 0.80 1.07 -0.49 1.67 0.00 -1.60 -2.55 119.26 118.17 2png h ALA 14 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2png h ALA 14 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2png h ALA 14 CO 0.01 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.24 2png h HIS 15 N 0.12 0.77 -0.80 0.00 6.17 -1.02 0.23 115.15 120.63 2png h HIS 15 Ca 0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.01 2png h HIS 15 Cb 0.91 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 30.57 2png h HIS 15 CO 0.01 0.67 0.48 0.82 0.71 0.00 0.00 177.93 180.62 2png h ILE 16 N 0.72 1.22 -0.00 6.26 1.08 -0.68 -2.50 117.51 123.61 2png h ILE 16 Ca 0.16 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2png h ILE 16 Cb 0.31 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 2png h ILE 16 CO 0.00 0.23 -0.22 0.18 -0.69 0.00 0.00 178.15 177.65 2png n LEU 17 N -4.38 0.64 0.00 1.44 4.77 -0.56 -4.91 117.00 114.00 2png n LEU 17 Ca 0.09 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2png n LEU 17 Cb 0.06 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2png n LEU 17 CO 0.37 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2png n GLY 18 N 1.36 0.61 3.40 -0.72 0.00 -0.40 -5.06 105.19 104.37 2png n GLY 18 Ca 0.11 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 1.85 0.00 -0.61 -4.36 0.66 -5.00 121.20 111.74 2png s ILE 19 Ca 0.00 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 2png s ILE 19 Cb 0.00 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.49 2png s ILE 19 CO 0.00 -0.47 0.00 -1.14 0.24 0.00 0.00 174.94 173.57 2png n ARG 20 N -0.49 0.00 0.00 0.37 0.63 -1.26 -3.03 116.66 112.88 2png n ARG 20 Ca -0.07 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.68 2png n ARG 20 Cb 0.61 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.38 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 0.30 -1.76 6.15 3.04 -1.97 -3.48 116.42 118.70 2png h ASP 21 Ca 0.00 -0.93 -0.39 0.00 -3.24 0.00 0.00 57.03 52.47 2png h ASP 21 Cb 0.00 -0.10 -0.09 0.00 -1.04 0.00 0.00 39.33 38.10 2png h ASP 21 CO 0.00 1.33 -0.42 0.18 -2.04 0.00 0.00 179.24 178.28 2png n LEU 22 N -4.24 -1.63 0.01 0.15 7.99 -1.26 -4.84 117.00 113.18 2png n LEU 22 Ca -0.16 0.25 0.13 0.00 -0.01 0.00 0.00 56.01 56.23 2png n LEU 22 Cb 0.73 -2.73 0.51 0.00 -0.11 0.00 0.00 43.42 41.82 2png n LEU 22 CO 0.42 -0.64 0.83 0.00 -1.51 0.00 0.00 177.39 176.48 2png n ALA 23 N -0.14 2.59 -2.57 -1.18 0.00 -1.26 -3.67 120.51 114.27 2png n ALA 23 Ca -0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 2png n ALA 23 Cb 0.65 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 1.47 1.57 2.90 0.00 0.00 -1.26 -5.09 105.19 104.79 2png n GLY 24 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.00 0.02 -0.41 -0.61 1.09 -1.24 -5.09 121.20 113.96 2png s ILE 25 Ca 0.15 -0.20 -0.28 0.00 -1.10 0.00 0.00 60.65 59.22 2png s ILE 25 Cb 0.32 -0.07 -0.02 0.00 -1.06 0.00 0.00 42.46 41.63 2png s ILE 25 CO -0.09 -0.11 1.78 0.20 -0.10 0.00 0.00 174.94 176.63 2png s ASN 26 N -0.32 5.77 0.00 3.58 0.02 -1.26 -4.79 114.94 117.93 2png s ASN 26 Ca -0.04 1.02 0.16 0.00 -1.02 0.00 0.00 52.86 52.99 2png s ASN 26 Cb -0.02 -2.53 0.52 0.00 0.02 0.00 0.00 41.25 39.24 2png s ASN 26 CO -0.00 -1.86 1.40 0.00 0.02 0.00 0.00 177.10 176.66 2png n LEU 27 N 10.81 1.97 0.03 0.60 -0.00 -1.26 -3.72 117.00 125.43 2png n LEU 27 Ca 0.22 -0.92 0.12 0.00 -0.00 0.00 0.00 56.01 55.43 2png n LEU 27 Cb 0.48 -0.20 0.24 0.00 -0.00 0.00 0.00 43.42 43.95 2png n LEU 27 CO 0.69 0.46 0.45 0.47 -0.00 0.00 0.00 177.39 179.46 2png n ASP 28 N 0.55 0.56 -4.71 1.45 9.92 -1.26 -3.78 116.55 119.29 2png n ASP 28 Ca 0.15 0.02 -0.42 0.00 -0.53 0.00 0.00 54.79 54.00 2png n ASP 28 Cb 0.34 0.12 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 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 -3.65 6.87 0.43 -2.24 0.01 -1.24 -4.80 113.70 109.07 2png s SER 29 Ca 0.09 2.21 -0.22 0.00 1.31 0.00 0.00 55.95 59.34 2png s SER 29 Cb 0.15 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 2png s SER 29 CO 0.69 -0.65 1.03 -0.44 0.41 0.00 0.00 173.24 174.28 2png s SER 30 N 1.38 6.67 0.55 2.44 0.01 -1.26 -2.32 113.70 121.16 2png s SER 30 Ca 0.64 1.95 0.22 0.00 1.31 0.00 0.00 55.95 60.07 2png s SER 30 Cb -0.34 -2.57 1.46 0.00 0.21 0.00 0.00 66.02 64.78 2png s SER 30 CO 0.29 -0.55 2.13 -0.07 0.41 0.00 0.00 173.24 175.45 2png h LEU 31 N 2.14 0.00 -1.26 2.44 4.07 -1.00 0.71 115.31 122.40 2png h LEU 31 Ca -0.49 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.43 2png h LEU 31 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 2png h LEU 31 CO 0.61 0.00 -0.19 0.00 -1.08 0.00 0.00 178.44 177.79 2png h ALA 32 N 1.91 1.05 0.01 1.53 0.00 -1.71 0.15 119.26 122.20 2png h ALA 32 Ca 0.06 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2png h ALA 32 Cb 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.05 2png h ALA 32 CO -0.00 0.23 -0.76 0.22 0.00 0.00 0.00 179.25 178.94 2png h ASP 33 N 0.00 0.65 0.06 0.00 3.58 -1.15 -3.31 116.42 116.25 2png h ASP 33 Ca -0.00 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.69 2png h ASP 33 Cb 0.67 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2png h ASP 33 CO 0.02 1.33 -0.07 -0.07 -2.88 0.00 0.00 179.24 177.57 2png h LEU 34 N 0.03 -0.19 0.00 2.28 3.38 -1.04 -3.46 115.31 116.30 2png h LEU 34 Ca -0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2png h LEU 34 Cb 1.46 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2png h LEU 34 CO 0.15 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2png n GLY 35 N -1.18 0.00 3.55 0.83 0.00 -0.08 -5.09 105.19 103.22 2png n GLY 35 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 3.27 -0.39 0.99 2.96 0.32 -4.41 118.68 121.42 2png s LEU 36 Ca 0.00 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2png s LEU 36 Cb 0.00 -2.56 0.29 0.00 0.50 0.00 0.00 46.19 44.42 2png s LEU 36 CO 0.00 -1.89 1.18 -0.67 -1.32 0.00 0.00 176.35 173.65 2png n ASP 37 N 10.04 -1.81 0.00 3.68 2.03 -1.26 -4.76 116.55 124.47 2png n ASP 37 Ca 0.16 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 53.03 2png n ASP 37 Cb 0.50 1.26 0.00 0.00 -0.72 0.00 0.00 41.12 42.16 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2png n SER 38 N 1.13 0.02 0.28 1.67 3.41 -1.26 -4.97 113.62 113.90 2png n SER 38 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 2png n SER 38 Cb 0.70 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.44 2png n SER 38 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2png h LEU 39 N 0.00 0.00 -1.41 1.04 5.85 -1.98 -3.24 115.31 115.56 2png h LEU 39 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2png h LEU 39 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2png h LEU 39 CO 0.00 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.33 2png n MET 40 N -4.17 0.23 0.00 1.25 2.81 -1.26 -1.41 117.12 114.57 2png n MET 40 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2png n MET 40 Cb 0.09 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.59 0.14 0.20 3.03 0.00 -1.24 -4.77 105.19 103.15 2png n GLY 41 Ca 0.00 -0.08 -0.12 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 1.28 -0.39 1.61 2.07 -1.44 -0.64 116.25 118.74 2png h VAL 42 Ca 0.00 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 2png h VAL 42 Cb 0.00 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2png h VAL 42 CO 0.00 0.38 -0.20 -0.08 0.02 0.00 0.00 177.57 177.69 2png h GLU 43 N 0.39 0.75 0.23 1.57 4.81 -1.54 -1.50 114.58 119.30 2png h GLU 43 Ca 0.08 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2png h GLU 43 Cb 0.60 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2png h GLU 43 CO 0.04 0.89 -0.21 0.28 -0.73 0.00 0.00 179.01 179.28 2png h VAL 44 N 0.66 0.55 -1.01 0.32 2.07 -1.71 -0.86 116.25 116.28 2png h VAL 44 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 2png h VAL 44 Cb 0.69 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2png h VAL 44 CO 0.05 0.00 0.65 -0.09 0.02 0.00 0.00 177.57 178.20 2png h ARG 45 N -0.46 1.16 -0.62 1.57 2.43 -0.96 -1.76 114.38 115.73 2png h ARG 45 Ca -0.01 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2png h ARG 45 Cb 0.42 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2png h ARG 45 CO -0.03 0.77 0.16 1.96 -1.51 0.00 0.00 179.97 181.32 2png h GLN 46 N 1.20 0.99 -0.51 0.20 4.20 -0.65 0.36 115.11 120.90 2png h GLN 46 Ca 0.43 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2png h GLN 46 Cb 0.14 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2png h GLN 46 CO -0.16 0.90 0.17 0.82 -0.67 0.00 0.00 178.83 179.88 2png h ILE 47 N 0.91 1.20 0.00 2.54 2.04 -0.37 0.19 117.51 124.02 2png h ILE 47 Ca 0.20 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2png h ILE 47 Cb 0.34 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2png h ILE 47 CO 0.00 0.25 -0.35 -0.07 0.00 0.00 0.00 178.15 177.98 2png h LEU 48 N 0.73 0.00 -0.01 1.44 3.38 -1.03 -3.28 115.31 116.54 2png h LEU 48 Ca 0.17 -0.82 -0.11 0.00 0.09 0.00 0.00 57.88 57.21 2png h LEU 48 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2png h LEU 48 CO -0.01 1.11 -0.44 -0.08 0.09 0.00 0.00 178.44 179.11 2png h GLU 49 N -1.00 0.31 0.00 1.13 4.22 0.22 0.11 114.58 119.57 2png h GLU 49 Ca -0.10 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.02 2png h GLU 49 Cb 1.04 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2png h GLU 49 CO -0.06 1.02 0.00 -2.13 -2.18 0.00 0.00 179.01 175.66 2png n ARG 50 N -4.35 0.10 -0.06 1.92 0.63 0.65 -1.13 116.66 114.41 2png n ARG 50 Ca -0.10 0.20 -0.11 0.00 -0.92 0.00 0.00 57.85 56.92 2png n ARG 50 Cb 0.59 -1.64 -0.04 0.00 0.45 0.00 0.00 32.46 31.83 2png n ARG 50 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2png n GLU 51 N -1.81 0.38 -0.08 -0.14 -0.58 -1.23 -4.85 120.64 112.33 2png n GLU 51 Ca 0.05 0.16 0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2png n GLU 51 Cb 0.29 -1.16 0.08 0.00 -0.57 0.00 0.00 31.44 30.09 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 -4.08 0.15 -1.34 -0.32 8.25 0.30 -4.98 115.22 113.20 2png n HIS 52 Ca -0.18 -0.67 -0.12 0.00 -0.26 0.00 0.00 57.72 56.49 2png n HIS 52 Cb 0.49 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.61 -4.73 -4.56 0.41 8.00 -0.28 -4.91 116.55 109.86 2png n ASP 53 Ca 0.08 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.46 2png n ASP 53 Cb 0.44 -3.27 -0.03 0.00 -0.02 0.00 0.00 41.12 38.24 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2png s LEU 54 N -2.69 3.27 -1.02 0.64 1.02 -0.80 -4.79 118.68 114.32 2png s LEU 54 Ca 0.00 -0.22 -0.18 0.00 0.02 0.00 0.00 54.13 53.75 2png s LEU 54 Cb 0.00 -2.78 0.13 0.00 0.02 0.00 0.00 46.19 43.56 2png s LEU 54 CO 0.00 -1.73 1.25 -0.69 0.02 0.00 0.00 176.35 175.20 2png s VAL 55 N 5.58 4.69 -0.43 -1.59 1.01 -1.26 -2.18 120.40 126.23 2png s VAL 55 Ca 0.39 -1.75 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 2png s VAL 55 Cb -0.08 -4.85 0.10 0.00 0.00 0.00 0.00 36.38 31.55 2png s VAL 55 CO 0.19 -1.60 0.26 -0.76 0.00 0.00 0.00 175.10 173.19 2png s LEU 56 N 2.72 5.30 0.85 3.92 1.43 -1.26 -5.09 118.68 126.55 2png s LEU 56 Ca 0.37 -1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 51.57 2png s LEU 56 Cb -0.04 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.36 2png s LEU 56 CO -0.07 -0.58 1.13 -2.84 0.23 0.00 0.00 176.35 174.23 2png s PRO 57 N 1.31 1.61 0.23 1.29 0.02 -1.26 -4.52 135.00 133.68 2png s PRO 57 Ca 0.05 0.34 -0.07 0.00 0.02 0.00 0.00 61.00 61.34 2png s PRO 57 Cb -0.24 -1.89 0.28 0.00 0.02 0.00 0.00 34.50 32.67 2png s PRO 57 CO -0.01 -1.89 1.87 0.82 -0.33 0.00 0.00 177.00 177.46 2png h ILE 58 N -1.27 1.10 -0.02 2.83 5.03 -1.98 0.18 117.51 123.38 2png h ILE 58 Ca -0.49 -0.35 0.01 0.00 -0.12 0.00 0.00 64.86 63.91 2png h ILE 58 Cb 1.31 -0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 35.10 2png h ILE 58 CO 0.62 0.18 0.10 0.08 -0.68 0.00 0.00 178.15 178.46 2png h ARG 59 N 1.01 0.00 0.01 2.37 -0.00 -1.98 0.12 114.38 115.92 2png h ARG 59 Ca 0.35 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.99 2png h ARG 59 Cb 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 29.99 2png h ARG 59 CO -0.14 0.00 -1.87 0.39 -0.00 0.00 0.00 179.97 178.36 2png n GLU 60 N -3.21 0.60 0.27 0.08 -0.58 -0.11 -4.36 120.64 113.33 2png n GLU 60 Ca -0.02 0.41 0.11 0.00 -0.42 0.00 0.00 57.16 57.24 2png n GLU 60 Cb 0.18 -1.64 0.74 0.00 -0.57 0.00 0.00 31.44 30.15 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 -0.82 0.74 -0.07 2.62 2.07 -0.51 -2.16 116.25 118.12 2png h VAL 61 Ca -0.50 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2png h VAL 61 Cb 1.53 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2png h VAL 61 CO -0.25 0.06 0.08 0.03 0.02 0.00 0.00 177.57 177.51 2png h ARG 62 N 0.00 0.00 -0.03 1.57 3.08 -0.98 -1.05 114.38 116.97 2png h ARG 62 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2png h ARG 62 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2png h ARG 62 CO 0.01 0.00 -0.02 1.04 -1.07 0.00 0.00 179.97 179.92 2png n GLN 63 N -3.94 2.11 -2.37 0.04 3.00 -0.81 -2.04 117.38 113.37 2png n GLN 63 Ca -0.01 -1.65 -0.42 0.00 -0.01 0.00 0.00 57.00 54.91 2png n GLN 63 Cb 0.18 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.92 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 -2.03 4.39 -0.93 1.08 1.43 -0.40 -4.82 118.68 117.41 2png s LEU 64 Ca 0.30 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 2png s LEU 64 Cb 0.20 -3.59 0.24 0.00 0.03 0.00 0.00 46.19 43.07 2png s LEU 64 CO 0.32 -0.47 0.90 0.42 0.23 0.00 0.00 176.35 177.76 2png s THR 65 N 0.75 5.74 0.00 5.49 -4.23 -1.26 -1.75 115.64 120.38 2png s THR 65 Ca 0.58 -2.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 2png s THR 65 Cb -0.31 -4.53 0.00 0.00 1.34 0.00 0.00 72.50 69.00 2png s THR 65 CO 0.31 -1.10 0.00 -0.11 -0.54 0.00 0.00 174.62 173.19 2png n LEU 66 N 3.57 0.00 0.01 4.79 -0.00 -0.98 0.07 117.00 124.47 2png n LEU 66 Ca 0.18 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.27 2png n LEU 66 Cb 0.44 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 44.23 2png n LEU 66 CO 0.38 0.00 0.78 0.54 -0.00 0.00 0.00 177.39 179.09 2png n ARG 67 N 0.00 0.02 0.24 1.96 5.12 -1.25 -1.75 116.66 121.00 2png n ARG 67 Ca 0.00 0.22 0.13 0.00 -1.93 0.00 0.00 57.85 56.27 2png n ARG 67 Cb 0.00 -1.53 0.40 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.50 5.56 3.64 -0.65 -3.20 116.57 121.42 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 0.30 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 2png h LYS 68 CO 0.00 0.07 0.27 -0.07 -2.27 0.00 0.00 179.45 177.45 2png h LEU 69 N 0.00 0.41 -0.03 5.20 -0.00 -1.55 -1.71 115.31 117.62 2png h LEU 69 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2png h LEU 69 Cb 0.81 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2png h LEU 69 CO 0.01 0.28 0.00 0.00 -0.00 0.00 0.00 178.44 178.73 2png n GLN 70 N -4.86 0.02 0.14 1.13 10.64 -1.21 -0.75 117.38 122.50 2png n GLN 70 Ca 0.04 0.15 0.09 0.00 -1.83 0.00 0.00 57.00 55.45 2png n GLN 70 Cb 0.11 -1.53 0.05 0.00 -0.86 0.00 0.00 30.24 28.01 2png n GLN 70 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2png h GLU 71 N 0.00 0.00 -0.13 2.61 4.57 -1.41 -3.28 114.58 116.95 2png h GLU 71 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2png h GLU 71 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2png h GLU 71 CO 0.00 0.09 0.00 -1.33 -1.18 0.00 0.00 179.01 176.59 2png n MET 72 N -2.90 2.78 0.06 1.92 2.81 -0.70 -4.67 117.12 116.42 2png n MET 72 Ca 0.00 -1.87 0.13 0.00 -1.81 0.00 0.00 57.70 54.15 2png n MET 72 Cb 0.60 -1.19 0.48 0.00 -0.71 0.00 0.00 33.22 32.40 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 -0.28 0.46 -2.75 7.83 3.41 0.07 -4.98 113.62 117.39 2png n SER 73 Ca 0.07 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.22 2png n SER 73 Cb 0.39 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.95 -6.86 -3.38 4.04 7.64 -1.26 -4.83 113.62 107.03 2png n SER 74 Ca 0.06 1.34 -0.19 0.00 1.01 0.00 0.00 58.87 61.09 2png n SER 74 Cb 0.36 -4.98 -0.08 0.00 -1.01 0.00 0.00 64.21 58.50 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 -1.43 0.62 -0.08 1.43 2.47 -1.26 -5.04 119.74 116.45 2png s LYS 75 Ca -0.04 -0.93 0.02 0.00 -1.56 0.00 0.00 55.97 53.46 2png s LYS 75 Cb 0.00 -0.81 0.01 0.00 -1.46 0.00 0.00 37.83 35.57 2png s LYS 75 CO 0.71 -1.20 -0.14 0.00 0.16 0.00 0.00 175.35 174.88 2png s ALA 76 N 1.38 1.45 -0.49 3.13 0.00 -1.26 -4.99 121.76 120.99 2png s ALA 76 Ca 0.17 -0.54 0.18 0.00 0.00 0.00 0.00 51.96 51.77 2png s ALA 76 Cb -0.16 -0.65 -0.24 0.00 0.00 0.00 0.00 23.12 22.07 2png s ALA 76 CO -0.03 0.10 0.61 0.41 0.00 0.00 0.00 175.76 176.85 2png n GLY 77 N 3.86 -0.78 2.75 0.00 0.00 -1.26 -4.97 105.19 104.79 2png n GLY 77 Ca -0.21 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 2png n GLY 77 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2png n SER 78 N -1.75 -4.95 -4.50 1.61 2.88 -1.26 -4.93 113.62 100.72 2png n SER 78 Ca 0.00 -0.26 -0.42 0.00 -1.33 0.00 0.00 58.87 56.86 2png n SER 78 Cb 0.37 -3.74 -0.03 0.00 -0.75 0.00 0.00 64.21 60.07 2png n SER 78 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2png s ASP 79 N -2.91 6.40 -0.03 -3.46 1.01 -1.26 -4.67 116.67 111.75 2png s ASP 79 Ca 0.27 -1.35 0.03 0.00 0.71 0.00 0.00 52.55 52.22 2png s ASP 79 Cb -0.12 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2png s ASP 79 CO 0.34 -1.41 0.02 0.41 0.21 0.00 0.00 175.17 174.74 2png n THR 80 N 6.14 0.19 -0.02 -1.27 -1.04 -1.26 -4.44 114.28 112.59 2png n THR 80 Ca 0.16 -0.13 -0.02 0.00 -2.04 0.00 0.00 64.05 62.01 2png n THR 80 Cb 0.49 -0.67 -0.01 0.00 -1.82 0.00 0.00 70.33 68.31 2png n THR 80 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2png n GLU 81 N -2.04 0.08 -4.09 -2.82 1.02 -1.26 -4.76 120.64 106.77 2png n GLU 81 Ca -0.05 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.77 2png n GLU 81 Cb 0.52 -0.96 -0.11 0.00 -0.02 0.00 0.00 31.44 30.86 2png n GLU 81 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2png s LEU 82 N -5.41 3.47 -1.65 -4.62 1.02 -1.26 -4.45 118.68 105.78 2png s LEU 82 Ca -0.04 -0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.01 2png s LEU 82 Cb 0.01 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.35 2png s LEU 82 CO 0.07 0.11 0.11 0.00 0.02 0.00 0.00 176.35 176.66 2png n ALA 83 N 3.94 -0.71 -1.84 4.21 0.00 -1.26 -4.67 120.51 120.18 2png n ALA 83 Ca -0.17 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 2png n ALA 83 Cb 0.52 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 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 -3.01 3.31 -0.02 0.00 0.00 -1.26 -4.92 121.76 115.86 2png s ALA 84 Ca 0.06 0.49 0.32 0.00 0.00 0.00 0.00 51.96 52.82 2png s ALA 84 Cb -0.03 -3.11 1.35 0.00 0.00 0.00 0.00 23.12 21.33 2png s ALA 84 CO 0.07 0.22 1.94 -1.35 0.00 0.00 0.00 175.76 176.64 2png h PRO 85 N 3.68 0.00 -1.75 0.00 0.11 -1.93 -3.11 132.00 128.99 2png h PRO 85 Ca -0.46 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.27 2png h PRO 85 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 2png h PRO 85 CO 0.66 0.00 0.34 1.63 -0.21 0.00 0.00 178.00 180.42 2png n LYS 86 N -2.84 2.03 -3.15 1.05 4.01 -1.26 -4.46 118.16 113.54 2png n LYS 86 Ca 0.01 -1.80 0.04 0.00 -0.51 0.00 0.00 58.31 56.06 2png n LYS 86 Cb 0.26 -1.83 -0.00 0.00 -0.51 0.00 0.00 35.03 32.94 2png n LYS 86 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2png s SER 87 N 0.41 -1.25 0.00 4.39 0.15 -1.18 -5.03 113.70 111.19 2png s SER 87 Ca 0.44 0.31 0.07 0.00 0.70 0.00 0.00 55.95 57.47 2png s SER 87 Cb 0.30 1.86 0.10 0.00 -1.71 0.00 0.00 66.02 66.57 2png s SER 87 CO -0.09 -0.23 0.86 0.29 1.20 0.00 0.00 173.24 175.27 2png n LYS 88 N 5.37 0.91 0.00 5.44 5.02 -1.26 -4.89 118.16 128.75 2png n LYS 88 Ca 0.04 -1.21 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 2png n LYS 88 Cb 0.54 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2png n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97