#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 0.54 0.00 1.61 8.00 -1.26 -4.96 116.55 120.48 2png n ASP 2 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2png n ASP 2 Cb 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2png n GLY 3 N 1.48 2.05 3.21 0.44 0.00 -1.26 -4.67 105.19 106.44 2png n GLY 3 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 2png n GLY 3 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2png s GLU 4 N 0.00 0.33 -0.01 1.61 2.56 -1.26 -5.02 118.70 116.91 2png s GLU 4 Ca 0.00 0.76 0.21 0.00 0.00 0.00 0.00 54.97 55.94 2png s GLU 4 Cb 0.00 -0.01 -0.25 0.00 2.00 0.00 0.00 34.13 35.87 2png s GLU 4 CO 0.00 -0.18 0.78 0.00 -0.56 0.00 0.00 175.26 175.30 2png n ALA 5 N 4.44 4.15 -2.43 6.30 0.00 -1.26 -4.86 120.51 126.84 2png n ALA 5 Ca -0.21 -0.57 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 2png n ALA 5 Cb 0.54 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.16 4.25 0.05 0.00 0.74 -1.26 -5.01 119.66 115.28 2png s GLN 6 Ca 0.03 1.65 0.01 0.00 0.05 0.00 0.00 55.36 57.10 2png s GLN 6 Cb 0.15 -3.73 0.01 0.00 1.10 0.00 0.00 33.01 30.54 2png s GLN 6 CO 0.88 -0.67 0.06 2.89 -0.55 0.00 0.00 175.29 177.90 2png n ARG 7 N 6.41 1.20 -1.74 1.67 1.85 -1.26 -5.03 116.66 119.76 2png n ARG 7 Ca 0.13 -0.31 -0.42 0.00 -1.00 0.00 0.00 57.85 56.25 2png n ARG 7 Cb 0.45 0.01 -0.03 0.00 -1.05 0.00 0.00 32.46 31.84 2png n ARG 7 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2png s ASP 8 N -1.32 6.42 0.57 2.89 1.01 -1.26 -4.86 116.67 120.12 2png s ASP 8 Ca 0.04 2.79 0.26 0.00 0.71 0.00 0.00 52.55 56.36 2png s ASP 8 Cb -0.00 -2.58 1.67 0.00 1.01 0.00 0.00 42.92 43.02 2png s ASP 8 CO 0.03 -0.98 2.22 -0.07 0.21 0.00 0.00 175.17 176.58 2png h LEU 9 N 7.76 0.00 -1.48 1.23 3.38 -1.90 -0.03 115.31 124.27 2png h LEU 9 Ca -0.44 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2png h LEU 9 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2png h LEU 9 CO 0.95 0.00 -0.08 0.58 0.09 0.00 0.00 178.44 179.98 2png h VAL 10 N 0.00 0.23 0.00 1.22 2.07 -1.85 0.51 116.25 118.43 2png h VAL 10 Ca 0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2png h VAL 10 Cb 0.02 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2png h VAL 10 CO -0.00 0.08 0.00 0.29 0.02 0.00 0.00 177.57 177.96 2png n LYS 11 N -3.24 0.04 -0.01 1.57 4.76 -0.03 -2.07 118.16 119.18 2png n LYS 11 Ca 0.00 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.43 2png n LYS 11 Cb 0.32 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.48 1.97 -0.01 7.82 0.00 -0.56 -4.41 120.51 123.85 2png n ALA 12 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 2png n ALA 12 Cb 0.31 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.42 1.10 0.00 0.00 2.07 -0.14 -1.63 116.25 117.23 2png h VAL 13 Ca 0.00 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 2png h VAL 13 Cb 0.42 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2png h VAL 13 CO 0.00 0.09 -0.39 0.00 0.02 0.00 0.00 177.57 177.29 2png h ALA 14 N 0.93 1.28 0.00 1.67 0.00 -1.58 -1.62 119.26 119.93 2png h ALA 14 Ca 0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2png h ALA 14 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2png h ALA 14 CO -0.00 0.49 -0.21 1.25 0.00 0.00 0.00 179.25 180.77 2png h HIS 15 N 0.00 0.00 -0.05 0.00 6.17 -0.91 0.22 115.15 120.58 2png h HIS 15 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.97 2png h HIS 15 Cb 0.72 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 2png h HIS 15 CO 0.00 0.21 -0.47 0.82 0.71 0.00 0.00 177.93 179.20 2png h ILE 16 N 0.00 1.34 -0.00 6.26 1.08 -0.38 -2.47 117.51 123.34 2png h ILE 16 Ca -0.00 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2png h ILE 16 Cb 0.53 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2png h ILE 16 CO 0.03 0.48 -0.24 0.18 -0.69 0.00 0.00 178.15 177.91 2png n LEU 17 N -3.97 0.42 0.00 1.44 4.77 -0.14 -4.90 117.00 114.61 2png n LEU 17 Ca -0.02 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2png n LEU 17 Cb 0.51 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2png n LEU 17 CO 0.41 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2png n GLY 18 N 1.42 0.65 0.00 -0.72 0.00 -0.59 -5.05 105.19 100.91 2png n GLY 18 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2png n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2png n ILE 19 N -2.59 0.00 0.00 -0.61 -5.35 0.58 -4.96 119.36 106.42 2png n ILE 19 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2png n ILE 19 Cb 0.01 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 2png n ILE 19 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2png n ARG 20 N 0.00 0.00 -2.79 6.28 0.63 -1.26 -2.22 116.66 117.30 2png n ARG 20 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2png n ARG 20 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2png n ARG 20 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2png s ASP 21 N 0.00 7.14 -0.10 6.15 1.11 -1.26 -4.90 116.67 124.82 2png s ASP 21 Ca 0.00 1.40 0.14 0.00 0.18 0.00 0.00 52.55 54.27 2png s ASP 21 Cb 0.00 -2.51 0.23 0.00 1.07 0.00 0.00 42.92 41.71 2png s ASP 21 CO 0.00 -0.37 1.13 0.18 1.18 0.00 0.00 175.17 177.28 2png n LEU 22 N 4.81 2.36 0.18 1.23 7.99 -1.26 -4.56 117.00 127.74 2png n LEU 22 Ca 0.06 -2.78 0.14 0.00 -0.01 0.00 0.00 56.01 53.41 2png n LEU 22 Cb 0.49 -0.32 0.49 0.00 -0.11 0.00 0.00 43.42 43.97 2png n LEU 22 CO 0.50 0.65 0.89 0.00 -1.51 0.00 0.00 177.39 177.93 2png h ALA 23 N 0.14 1.00 -0.05 -1.18 0.00 -2.02 -3.05 119.26 114.10 2png h ALA 23 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2png h ALA 23 Cb 0.89 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.30 2png h ALA 23 CO 0.01 0.00 -1.01 0.41 0.00 0.00 0.00 179.25 178.67 2png n GLY 24 N 0.39 1.07 3.01 0.00 0.00 -1.26 -5.06 105.19 103.35 2png n GLY 24 Ca 0.03 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.44 0.77 -0.19 -0.61 -1.09 -1.15 -5.09 121.20 113.39 2png s ILE 25 Ca 0.31 -0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.07 2png s ILE 25 Cb 0.36 -0.67 -0.04 0.00 -1.58 0.00 0.00 42.46 40.54 2png s ILE 25 CO -0.15 0.23 1.77 0.20 -1.23 0.00 0.00 174.94 175.76 2png s ASN 26 N 0.04 6.22 -0.06 3.58 -0.87 -1.26 -4.79 114.94 117.79 2png s ASN 26 Ca -0.01 1.79 0.19 0.00 -1.57 0.00 0.00 52.86 53.26 2png s ASN 26 Cb -0.07 -2.53 0.63 0.00 -0.02 0.00 0.00 41.25 39.26 2png s ASN 26 CO 0.00 -1.37 1.53 0.00 -2.57 0.00 0.00 177.10 174.70 2png n LEU 27 N 8.93 4.18 -0.95 0.60 -0.00 -1.26 -4.01 117.00 124.49 2png n LEU 27 Ca 0.21 -2.26 0.12 0.00 -0.00 0.00 0.00 56.01 54.08 2png n LEU 27 Cb 0.45 -0.50 0.21 0.00 -0.00 0.00 0.00 43.42 43.58 2png n LEU 27 CO 0.66 0.85 0.69 0.47 -0.00 0.00 0.00 177.39 180.06 2png n ASP 28 N 1.12 2.92 -4.80 1.45 8.00 -1.26 -4.51 116.55 119.47 2png n ASP 28 Ca 0.23 -1.93 -0.36 0.00 0.71 0.00 0.00 54.79 53.44 2png n ASP 28 Cb 0.73 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.78 7.16 0.32 -2.24 0.01 -1.26 -4.99 113.70 110.92 2png s SER 29 Ca 0.33 1.59 -0.27 0.00 1.31 0.00 0.00 55.95 58.91 2png s SER 29 Cb 0.21 -2.49 -0.09 0.00 0.21 0.00 0.00 66.02 63.86 2png s SER 29 CO 0.31 -0.03 1.02 -0.44 0.41 0.00 0.00 173.24 174.51 2png s SER 30 N -1.67 7.18 0.51 2.44 0.01 -1.26 -4.12 113.70 116.79 2png s SER 30 Ca 0.47 2.05 0.19 0.00 1.31 0.00 0.00 55.95 59.97 2png s SER 30 Cb -0.17 -2.60 1.28 0.00 0.21 0.00 0.00 66.02 64.74 2png s SER 30 CO 0.22 -0.19 2.07 0.25 0.41 0.00 0.00 173.24 176.00 2png h LEU 31 N 3.30 0.05 -0.54 2.44 5.85 -0.79 -0.28 115.31 125.34 2png h LEU 31 Ca -0.47 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2png h LEU 31 Cb 1.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2png h LEU 31 CO 0.65 0.03 0.27 0.00 -0.34 0.00 0.00 178.44 179.05 2png h ALA 32 N 1.86 0.70 -0.35 1.25 0.00 -1.32 -1.22 119.26 120.17 2png h ALA 32 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2png h ALA 32 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2png h ALA 32 CO -0.01 0.25 -0.17 0.22 0.00 0.00 0.00 179.25 179.54 2png h ASP 33 N 0.73 0.64 -0.16 0.00 3.58 -1.35 -2.85 116.42 117.01 2png h ASP 33 Ca 0.19 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2png h ASP 33 Cb 0.10 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2png h ASP 33 CO -0.03 0.82 0.08 -0.07 -2.88 0.00 0.00 179.24 177.17 2png h LEU 34 N 0.58 0.20 0.00 2.28 3.38 -1.18 -3.46 115.31 117.11 2png h LEU 34 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2png h LEU 34 Cb 0.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2png h LEU 34 CO 0.04 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2png n GLY 35 N -0.83 0.00 3.60 0.83 0.00 -0.98 -5.11 105.19 102.69 2png n GLY 35 Ca -0.04 0.00 -0.43 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 3.58 0.00 0.99 2.96 -0.50 -4.55 118.68 121.16 2png s LEU 36 Ca 0.00 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2png s LEU 36 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2png s LEU 36 CO 0.00 -1.43 0.00 -0.67 -1.32 0.00 0.00 176.35 172.93 2png n ASP 37 N 8.76 1.28 0.00 3.68 2.03 -1.26 -4.46 116.55 126.58 2png n ASP 37 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2png n ASP 37 Cb 0.48 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2png n ASP 37 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2png n SER 38 N -1.18 0.00 -0.24 1.67 2.88 -1.26 -4.98 113.62 110.51 2png n SER 38 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2png n SER 38 Cb 0.14 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.88 0.00 2.46 6.46 -1.97 -1.74 115.31 121.41 2png h LEU 39 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2png h LEU 39 Cb 0.00 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 2png h LEU 39 CO 0.00 0.63 0.00 0.23 -0.62 0.00 0.00 178.44 178.68 2png n MET 40 N -4.43 0.65 0.00 1.25 2.81 -1.26 -2.52 117.12 113.62 2png n MET 40 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2png n MET 40 Cb 0.06 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.16 0.00 0.20 3.03 0.00 -0.72 -4.68 105.19 103.19 2png n GLY 41 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.69 -0.29 1.61 2.07 -1.09 -0.19 116.25 119.04 2png h VAL 42 Ca 0.00 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2png h VAL 42 Cb 0.30 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2png h VAL 42 CO 0.00 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 177.55 2png h GLU 43 N -0.73 0.46 -0.02 1.57 4.81 -1.84 -1.80 114.58 117.04 2png h GLU 43 Ca -0.04 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2png h GLU 43 Cb 0.49 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2png h GLU 43 CO 0.07 0.54 0.01 0.28 -0.73 0.00 0.00 179.01 179.19 2png h VAL 44 N 0.44 1.02 -0.80 0.32 2.07 -1.78 -1.05 116.25 116.48 2png h VAL 44 Ca 0.09 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.67 2png h VAL 44 Cb 0.39 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 2png h VAL 44 CO 0.02 0.02 0.42 0.03 0.02 0.00 0.00 177.57 178.08 2png h ARG 45 N 0.01 0.66 0.00 1.57 3.08 -0.51 0.01 114.38 119.20 2png h ARG 45 Ca 0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2png h ARG 45 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2png h ARG 45 CO -0.00 0.44 -0.18 1.96 -1.07 0.00 0.00 179.97 181.11 2png h GLN 46 N 0.68 0.00 0.05 0.04 4.20 -0.70 0.92 115.11 120.30 2png h GLN 46 Ca 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 2png h GLN 46 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2png h GLN 46 CO -0.29 0.18 -0.03 0.82 -0.67 0.00 0.00 178.83 178.85 2png h ILE 47 N 0.00 0.97 0.00 2.54 2.04 0.25 -3.07 117.51 120.24 2png h ILE 47 Ca -0.00 -1.55 -0.13 0.00 1.00 0.00 0.00 64.86 64.17 2png h ILE 47 Cb 0.48 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2png h ILE 47 CO 0.02 0.31 -0.63 -0.07 0.00 0.00 0.00 178.15 177.78 2png h LEU 48 N -0.95 0.00 0.00 1.44 -0.00 -1.09 -1.20 115.31 113.52 2png h LEU 48 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2png h LEU 48 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2png h LEU 48 CO 0.01 0.63 -0.75 -0.08 -0.00 0.00 0.00 178.44 178.24 2png h GLU 49 N 0.00 0.00 0.00 1.13 4.81 -0.87 -2.77 114.58 116.88 2png h GLU 49 Ca -0.01 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 2png h GLU 49 Cb 1.11 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 2png h GLU 49 CO 0.08 0.00 -2.22 0.54 -0.73 0.00 0.00 179.01 176.68 2png n ARG 50 N -2.25 0.47 -0.13 1.92 1.74 -1.14 -4.57 116.66 112.71 2png n ARG 50 Ca 0.02 0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 57.20 2png n ARG 50 Cb 0.47 -1.30 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 2png n ARG 50 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2png h GLU 51 N -0.68 0.90 -5.34 5.56 4.39 -1.40 -3.43 114.58 114.58 2png h GLU 51 Ca -0.54 -0.36 -0.39 0.00 0.34 0.00 0.00 59.36 58.41 2png h GLU 51 Cb 1.52 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.97 2png h GLU 51 CO -0.30 1.01 -0.73 -1.01 -1.16 0.00 0.00 179.01 176.81 2png s HIS 52 N -4.70 1.46 -1.28 4.33 3.76 -1.26 -5.03 115.29 112.57 2png s HIS 52 Ca -0.10 -0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 54.05 2png s HIS 52 Cb 0.13 -0.72 0.15 0.00 1.11 0.00 0.00 32.58 33.25 2png s HIS 52 CO 0.85 0.20 1.75 -0.40 -0.85 0.00 0.00 174.74 176.29 2png n ASP 53 N -0.07 5.00 -4.47 1.40 5.75 -1.26 -4.06 116.55 118.84 2png n ASP 53 Ca -0.11 -3.02 -0.24 0.00 -0.01 0.00 0.00 54.79 51.41 2png n ASP 53 Cb 0.60 -1.55 -0.10 0.00 -1.03 0.00 0.00 41.12 39.03 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2png s LEU 54 N 1.04 2.58 -0.32 -2.12 1.02 -1.04 -5.05 118.68 114.78 2png s LEU 54 Ca 0.43 -1.00 -0.01 0.00 0.02 0.00 0.00 54.13 53.57 2png s LEU 54 Cb 0.05 -1.12 0.11 0.00 0.02 0.00 0.00 46.19 45.25 2png s LEU 54 CO 0.00 0.05 0.12 -0.69 0.02 0.00 0.00 176.35 175.85 2png s VAL 55 N -2.38 0.76 -0.43 -1.59 1.01 -1.26 -3.57 120.40 112.94 2png s VAL 55 Ca 0.29 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.73 2png s VAL 55 Cb -0.05 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.83 2png s VAL 55 CO 0.14 -0.72 0.28 -0.76 0.00 0.00 0.00 175.10 174.04 2png s LEU 56 N 1.54 5.25 0.96 3.92 1.43 -1.26 -5.09 118.68 125.42 2png s LEU 56 Ca 0.11 -1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 51.54 2png s LEU 56 Cb -0.18 -2.00 0.17 0.00 0.03 0.00 0.00 46.19 44.20 2png s LEU 56 CO -0.23 -0.56 1.15 -2.84 0.23 0.00 0.00 176.35 174.10 2png s PRO 57 N 1.43 0.73 0.44 1.29 0.02 -1.26 -4.71 135.00 132.94 2png s PRO 57 Ca 0.03 0.19 0.11 0.00 0.02 0.00 0.00 61.00 61.36 2png s PRO 57 Cb -0.23 -1.80 0.99 0.00 0.02 0.00 0.00 34.50 33.48 2png s PRO 57 CO 0.02 -2.46 2.05 0.82 -0.33 0.00 0.00 177.00 177.10 2png h ILE 58 N -1.69 1.09 0.00 2.83 5.03 -1.97 0.82 117.51 123.63 2png h ILE 58 Ca -0.50 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 63.95 2png h ILE 58 Cb 1.32 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 36.01 2png h ILE 58 CO 0.56 0.11 0.00 -2.11 -0.68 0.00 0.00 178.15 176.02 2png n ARG 59 N -4.44 0.43 -0.02 2.37 0.00 -1.26 -0.67 116.66 113.08 2png n ARG 59 Ca -0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 57.85 57.85 2png n ARG 59 Cb 0.13 -1.50 -0.01 0.00 -0.00 0.00 0.00 32.46 31.08 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 -1.06 0.17 -0.23 2.89 -0.58 0.08 -4.77 120.64 117.14 2png n GLU 60 Ca 0.11 0.07 0.04 0.00 -0.42 0.00 0.00 57.16 56.95 2png n GLU 60 Cb 0.07 -0.70 0.15 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.32 0.58 0.00 2.62 2.07 -0.84 -0.56 116.25 119.81 2png h VAL 61 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2png h VAL 61 Cb 0.32 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2png h VAL 61 CO 0.00 0.05 0.00 -1.14 0.02 0.00 0.00 177.57 176.50 2png n ARG 62 N -5.13 0.07 0.00 1.57 0.63 0.16 -1.52 116.66 112.44 2png n ARG 62 Ca 0.12 0.27 0.08 0.00 -0.92 0.00 0.00 57.85 57.41 2png n ARG 62 Cb 0.40 -1.62 0.03 0.00 0.45 0.00 0.00 32.46 31.72 2png n ARG 62 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2png n GLN 63 N -1.75 1.56 -2.43 -0.14 3.00 -0.23 -1.08 117.38 116.32 2png n GLN 63 Ca 0.04 -1.13 -0.41 0.00 -0.01 0.00 0.00 57.00 55.49 2png n GLN 63 Cb 0.21 -1.31 -0.04 0.00 0.00 0.00 0.00 30.24 29.10 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 -1.83 4.50 -0.27 1.08 1.43 -0.58 -4.61 118.68 118.41 2png s LEU 64 Ca 0.17 2.24 -0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2png s LEU 64 Cb 0.14 -3.62 0.21 0.00 0.03 0.00 0.00 46.19 42.96 2png s LEU 64 CO 0.34 -0.25 1.88 0.35 0.23 0.00 0.00 176.35 178.89 2png n THR 65 N 1.83 2.53 0.00 5.49 -2.24 -1.26 -0.59 114.28 120.05 2png n THR 65 Ca 0.01 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 2png n THR 65 Cb 0.45 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 0.31 0.00 0.00 3.22 -0.00 -1.26 -4.16 117.00 115.12 2png n LEU 66 Ca 0.27 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.39 2png n LEU 66 Cb 0.67 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.64 2png n LEU 66 CO 0.32 0.00 0.86 0.54 -0.00 0.00 0.00 177.39 179.12 2png n ARG 67 N 0.00 0.27 0.17 1.96 5.12 -1.26 -1.21 116.66 121.71 2png n ARG 67 Ca 0.00 0.08 0.06 0.00 -1.93 0.00 0.00 57.85 56.06 2png n ARG 67 Cb 0.00 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 29.92 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 -0.84 5.56 3.64 -1.90 -3.27 116.57 119.76 2png h LYS 68 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2png h LYS 68 Cb 0.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 2png h LYS 68 CO 0.00 0.31 0.55 -0.07 -2.27 0.00 0.00 179.45 177.97 2png h LEU 69 N 0.00 0.72 -0.99 5.20 -0.00 -1.51 0.04 115.31 118.78 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 1.20 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2png h LEU 69 CO 0.04 0.43 0.00 0.00 -0.00 0.00 0.00 178.44 178.91 2png n GLN 70 N -4.52 1.63 -0.00 1.13 10.64 -1.23 -1.30 117.38 123.72 2png n GLN 70 Ca 0.14 -0.97 0.01 0.00 -1.83 0.00 0.00 57.00 54.36 2png n GLN 70 Cb 0.32 -1.23 -0.03 0.00 -0.86 0.00 0.00 30.24 28.45 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 0.28 0.64 -0.75 2.61 1.02 -0.37 -4.47 120.64 119.59 2png n GLU 71 Ca 0.10 -0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 2png n GLU 71 Cb 0.23 -1.09 0.27 0.00 -0.02 0.00 0.00 31.44 30.84 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2png n MET 72 N -1.71 3.12 -0.20 3.49 2.81 -0.14 -4.15 117.12 120.35 2png n MET 72 Ca -0.01 -3.02 0.02 0.00 -1.81 0.00 0.00 57.70 52.88 2png n MET 72 Cb 0.18 -2.00 0.10 0.00 -0.71 0.00 0.00 33.22 30.79 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 -0.44 1.91 0.00 7.83 3.41 -0.42 -4.78 113.62 121.14 2png n SER 73 Ca 0.31 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 2png n SER 73 Cb 1.12 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.14 0.00 -3.50 4.04 7.64 -1.26 -4.87 113.62 115.81 2png n SER 74 Ca 0.07 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.69 2png n SER 74 Cb 0.41 -0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 63.40 2png n SER 74 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2png s LYS 75 N -0.03 0.24 0.47 1.43 -2.85 -1.26 -4.96 119.74 112.78 2png s LYS 75 Ca 0.00 -0.50 0.26 0.00 -1.00 0.00 0.00 55.97 54.73 2png s LYS 75 Cb 0.00 -1.06 1.01 0.00 -2.06 0.00 0.00 37.83 35.72 2png s LYS 75 CO 0.00 -1.04 1.86 0.00 0.10 0.00 0.00 175.35 176.27 2png h ALA 76 N 8.28 1.02 -3.00 0.59 0.00 -1.88 -3.43 119.26 120.84 2png h ALA 76 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2png h ALA 76 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2png h ALA 76 CO 0.40 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.27 2png n GLY 77 N 0.15 5.40 3.77 0.00 0.00 -1.26 -4.98 105.19 108.27 2png n GLY 77 Ca 0.00 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 2png n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2png s SER 78 N 1.00 6.34 0.23 1.61 0.01 -1.26 -4.91 113.70 116.72 2png s SER 78 Ca 0.00 2.46 -0.08 0.00 1.31 0.00 0.00 55.95 59.65 2png s SER 78 Cb 0.00 -2.62 0.25 0.00 0.21 0.00 0.00 66.02 63.86 2png s SER 78 CO 0.00 -0.81 1.87 0.44 0.41 0.00 0.00 173.24 175.14 2png h ASP 79 N 2.50 0.87 0.82 2.44 5.19 -1.95 -1.21 116.42 125.08 2png h ASP 79 Ca -0.49 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2png h ASP 79 Cb 1.24 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.56 2png h ASP 79 CO 0.62 0.59 0.00 0.35 -3.12 0.00 0.00 179.24 177.68 2png n THR 80 N -4.58 0.01 -0.12 0.35 -2.24 -1.26 -3.55 114.28 102.89 2png n THR 80 Ca 0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 2png n THR 80 Cb 0.10 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 67.70 2png n THR 80 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2png n GLU 81 N -1.41 0.67 -3.63 -0.78 1.02 -0.54 -4.83 120.64 111.14 2png n GLU 81 Ca 0.10 0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 2png n GLU 81 Cb 0.30 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 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 -6.18 4.23 -0.64 -4.62 2.01 -0.67 -4.60 118.68 108.21 2png s LEU 82 Ca -0.27 0.39 -0.08 0.00 0.01 0.00 0.00 54.13 54.18 2png s LEU 82 Cb 0.08 -2.24 0.01 0.00 0.01 0.00 0.00 46.19 44.05 2png s LEU 82 CO 0.65 0.15 0.65 0.00 1.01 0.00 0.00 176.35 178.81 2png n ALA 83 N 3.49 -2.68 -2.17 4.21 0.00 -1.26 -4.82 120.51 117.28 2png n ALA 83 Ca -0.14 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2png n ALA 83 Cb 0.52 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.76 3.31 0.15 0.00 0.00 -1.26 -4.98 121.76 116.22 2png s ALA 84 Ca 0.11 0.71 -0.33 0.00 0.00 0.00 0.00 51.96 52.45 2png s ALA 84 Cb -0.02 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 2png s ALA 84 CO 0.79 -0.13 1.71 -0.35 0.00 0.00 0.00 175.76 177.77 2png n PRO 85 N 2.62 2.49 -1.92 0.00 -0.04 -1.26 -4.84 135.00 132.04 2png n PRO 85 Ca 0.03 0.90 -0.33 0.00 -0.04 0.00 0.00 63.50 64.06 2png n PRO 85 Cb 0.47 -2.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 2png n PRO 85 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2png s LYS 86 N 1.67 2.43 0.00 0.54 2.20 -1.26 -4.10 119.74 121.22 2png s LYS 86 Ca 0.80 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 2png s LYS 86 Cb -0.58 -4.64 0.00 0.00 -1.51 0.00 0.00 37.83 31.10 2png s LYS 86 CO 0.37 -3.16 0.00 0.43 -0.36 0.00 0.00 175.35 172.63 2png n SER 87 N 14.14 0.00 -0.07 1.43 7.64 -1.26 -4.90 113.62 130.61 2png n SER 87 Ca 0.31 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.98 2png n SER 87 Cb 0.50 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.58 2png n SER 87 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2png n LYS 88 N -0.97 0.68 0.00 1.43 5.02 -1.26 -5.32 118.16 117.75 2png n LYS 88 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2png n LYS 88 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 2png n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17