#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 -1.42 0.00 1.61 9.92 -1.26 -4.96 116.55 120.44 2png n ASP 2 Ca 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2png n ASP 2 Cb 0.00 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 2png n ASP 2 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2png n GLY 3 N -2.76 0.51 0.00 0.44 0.00 -1.26 -4.91 105.19 97.21 2png n GLY 3 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2png n GLY 3 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2png n GLU 4 N -2.50 1.65 -2.82 1.61 0.28 -1.26 -5.01 120.64 112.59 2png n GLU 4 Ca 0.00 -0.22 -0.43 0.00 -0.16 0.00 0.00 57.16 56.35 2png n GLU 4 Cb 0.08 -0.67 -0.04 0.00 1.43 0.00 0.00 31.44 32.24 2png n GLU 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2png s ALA 5 N -0.30 3.38 -0.26 -1.84 0.00 -1.26 -5.00 121.76 116.48 2png s ALA 5 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2png s ALA 5 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2png s ALA 5 CO 0.00 -1.67 0.19 -1.14 0.00 0.00 0.00 175.76 173.15 2png s GLN 6 N 3.49 4.01 -0.01 0.00 0.74 -1.26 -5.06 119.66 121.57 2png s GLN 6 Ca 0.37 -0.27 -0.30 0.00 0.05 0.00 0.00 55.36 55.21 2png s GLN 6 Cb -0.12 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 2png s GLN 6 CO 0.20 -0.09 1.17 0.50 -0.55 0.00 0.00 175.29 176.52 2png s ARG 7 N 1.49 4.41 0.48 1.67 3.52 -1.26 -4.98 118.95 124.28 2png s ARG 7 Ca 0.08 1.67 -0.24 0.00 -0.13 0.00 0.00 55.73 57.11 2png s ARG 7 Cb -0.15 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 2png s ARG 7 CO 0.08 -0.32 1.36 0.34 -0.81 0.00 0.00 175.30 175.95 2png s ASP 8 N 1.25 5.73 0.49 -2.12 2.15 -1.26 -4.86 116.67 118.05 2png s ASP 8 Ca 0.56 2.76 0.15 0.00 0.43 0.00 0.00 52.55 56.45 2png s ASP 8 Cb -0.26 -2.64 1.17 0.00 -0.30 0.00 0.00 42.92 40.90 2png s ASP 8 CO 0.25 -1.26 2.09 -0.07 -0.17 0.00 0.00 175.17 176.01 2png h LEU 9 N 2.01 0.14 -0.20 -1.34 3.38 -1.90 -0.86 115.31 116.55 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 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.00 2png h LEU 9 CO 0.60 0.10 -0.86 0.58 0.09 0.00 0.00 178.44 178.94 2png h VAL 10 N 0.17 1.34 -0.08 1.22 2.07 -1.86 0.38 116.25 119.48 2png h VAL 10 Ca 0.10 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2png h VAL 10 Cb 0.21 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2png h VAL 10 CO -0.02 0.67 0.00 0.29 0.02 0.00 0.00 177.57 178.54 2png n LYS 11 N -3.84 1.21 0.00 1.57 4.01 -0.51 -1.76 118.16 118.84 2png n LYS 11 Ca -0.07 -0.32 -0.00 0.00 -0.51 0.00 0.00 58.31 57.41 2png n LYS 11 Cb 0.79 -1.12 -0.00 0.00 -0.51 0.00 0.00 35.03 34.19 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 -0.28 2.61 0.07 7.82 0.00 -0.45 -4.58 120.51 125.70 2png n ALA 12 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2png n ALA 12 Cb 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.01 0.96 -0.01 0.00 2.07 -0.35 -1.74 116.25 117.17 2png h VAL 13 Ca 0.00 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 2png h VAL 13 Cb 0.01 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2png h VAL 13 CO 0.00 0.20 -0.40 0.00 0.02 0.00 0.00 177.57 177.39 2png h ALA 14 N 0.02 1.33 0.00 1.67 0.00 -1.50 -2.02 119.26 118.76 2png h ALA 14 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2png h ALA 14 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2png h ALA 14 CO 0.04 0.50 0.00 1.25 0.00 0.00 0.00 179.25 181.04 2png h HIS 15 N 0.01 0.00 -0.47 0.00 6.17 -1.12 0.26 115.15 120.00 2png h HIS 15 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 2png h HIS 15 Cb 0.71 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.63 2png h HIS 15 CO 0.00 0.00 -0.17 0.82 0.71 0.00 0.00 177.93 179.29 2png h ILE 16 N 0.00 1.27 0.00 6.26 1.08 -0.54 -3.17 117.51 122.41 2png h ILE 16 Ca 0.00 -1.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.13 2png h ILE 16 Cb 0.58 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2png h ILE 16 CO 0.00 0.45 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.72 2png h LEU 17 N 0.80 0.10 0.00 1.44 3.38 -1.37 -3.48 115.31 116.18 2png h LEU 17 Ca 0.12 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2png h LEU 17 Cb 0.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2png h LEU 17 CO 0.05 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2png n GLY 18 N 1.11 1.21 3.53 0.83 0.00 0.66 -5.14 105.19 107.39 2png n GLY 18 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.21 2.96 0.00 -0.61 -4.36 0.22 -4.94 121.20 113.26 2png s ILE 19 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2png s ILE 19 Cb 0.00 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2png s ILE 19 CO 0.00 -0.13 0.00 -1.14 0.24 0.00 0.00 174.94 173.91 2png n ARG 20 N 0.06 0.00 0.02 0.37 0.63 -1.26 -2.68 116.66 113.79 2png n ARG 20 Ca -0.11 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.69 2png n ARG 20 Cb 0.56 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.33 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 0.18 -5.63 6.15 5.19 -1.98 -3.49 116.42 116.84 2png h ASP 21 Ca 0.00 -0.31 -0.10 0.00 -0.62 0.00 0.00 57.03 56.00 2png h ASP 21 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2png h ASP 21 CO 0.00 1.27 -0.32 0.18 -3.12 0.00 0.00 179.24 177.26 2png n LEU 22 N -3.28 -6.01 0.13 1.55 7.99 -1.26 -4.93 117.00 111.19 2png n LEU 22 Ca -0.17 -0.12 -0.23 0.00 -0.01 0.00 0.00 56.01 55.48 2png n LEU 22 Cb 1.03 -2.98 -0.15 0.00 -0.11 0.00 0.00 43.42 41.21 2png n LEU 22 CO 0.47 -1.04 -0.27 0.00 -1.51 0.00 0.00 177.39 175.04 2png h ALA 23 N 0.92 -0.05 -0.61 -1.18 0.00 -2.01 -3.38 119.26 112.95 2png h ALA 23 Ca -0.13 -0.93 -0.30 0.00 0.00 0.00 0.00 54.91 53.56 2png h ALA 23 Cb 1.08 0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 2png h ALA 23 CO 0.29 0.81 -1.11 0.41 0.00 0.00 0.00 179.25 179.66 2png n GLY 24 N 1.71 2.14 3.45 0.00 0.00 -1.26 -5.05 105.19 106.18 2png n GLY 24 Ca -0.17 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.75 2.79 0.09 -0.61 -1.09 -1.26 -5.09 121.20 112.28 2png s ILE 25 Ca 0.29 -1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 57.37 2png s ILE 25 Cb 0.36 -2.13 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 2png s ILE 25 CO -0.02 0.43 0.99 0.20 -1.23 0.00 0.00 174.94 175.32 2png s ASN 26 N -1.15 7.42 0.00 3.58 0.01 -1.26 -4.90 114.94 118.64 2png s ASN 26 Ca 0.13 1.80 0.22 0.00 -0.71 0.00 0.00 52.86 54.30 2png s ASN 26 Cb -0.10 -2.58 0.53 0.00 0.41 0.00 0.00 41.25 39.50 2png s ASN 26 CO 0.03 -0.15 1.45 0.18 -1.51 0.00 0.00 177.10 177.10 2png n LEU 27 N 3.10 3.31 -0.65 0.60 4.77 -1.26 -3.62 117.00 123.25 2png n LEU 27 Ca 0.04 -1.52 0.07 0.00 -0.03 0.00 0.00 56.01 54.57 2png n LEU 27 Cb 0.49 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 2png n LEU 27 CO 0.52 0.76 0.54 0.47 -1.33 0.00 0.00 177.39 178.35 2png n ASP 28 N 1.35 2.53 -4.74 -1.43 8.00 -1.26 -4.31 116.55 116.69 2png n ASP 28 Ca 0.20 -1.74 -0.40 0.00 0.71 0.00 0.00 54.79 53.56 2png n ASP 28 Cb 0.56 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.12 7.36 0.54 -2.24 0.01 -1.24 -5.00 113.70 112.02 2png s SER 29 Ca 0.21 1.62 -0.19 0.00 1.31 0.00 0.00 55.95 58.91 2png s SER 29 Cb 0.13 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2png s SER 29 CO 0.19 0.01 1.09 -0.44 0.41 0.00 0.00 173.24 174.50 2png s SER 30 N -0.20 5.87 0.54 2.44 0.01 -1.26 -4.18 113.70 116.92 2png s SER 30 Ca 0.42 2.04 0.21 0.00 1.31 0.00 0.00 55.95 59.93 2png s SER 30 Cb -0.22 -2.57 1.46 0.00 0.21 0.00 0.00 66.02 64.90 2png s SER 30 CO 0.26 -1.11 2.17 0.25 0.41 0.00 0.00 173.24 175.22 2png h LEU 31 N 1.12 0.00 -0.83 2.44 5.85 -0.10 0.13 115.31 123.91 2png h LEU 31 Ca -0.49 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 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 0.57 0.00 -0.30 0.00 -0.34 0.00 0.00 178.44 178.37 2png h ALA 32 N 1.97 0.95 -0.11 1.25 0.00 -1.77 0.41 119.26 121.96 2png h ALA 32 Ca 0.02 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 2png h ALA 32 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2png h ALA 32 CO -0.00 0.38 -0.73 0.22 0.00 0.00 0.00 179.25 179.12 2png h ASP 33 N 0.00 0.63 -0.01 0.00 3.58 -1.06 -2.99 116.42 116.56 2png h ASP 33 Ca -0.00 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 2png h ASP 33 Cb 0.91 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 2png h ASP 33 CO 0.04 1.16 0.00 -0.07 -2.88 0.00 0.00 179.24 177.49 2png h LEU 34 N 0.36 0.03 0.00 2.28 4.07 -1.26 -3.49 115.31 117.30 2png h LEU 34 Ca -0.03 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2png h LEU 34 Cb 1.32 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.06 2png h LEU 34 CO 0.13 0.31 0.00 0.61 -1.08 0.00 0.00 178.44 178.42 2png n GLY 35 N -0.30 0.05 3.66 0.83 0.00 0.11 -5.04 105.19 104.51 2png n GLY 35 Ca -0.08 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 4.15 0.00 0.99 0.05 -1.21 -4.97 118.68 117.69 2png s LEU 36 Ca 0.00 1.19 -0.01 0.00 0.05 0.00 0.00 54.13 55.36 2png s LEU 36 Cb 0.00 -3.28 -0.00 0.00 -2.05 0.00 0.00 46.19 40.85 2png s LEU 36 CO 0.00 -0.46 0.79 -2.24 -0.55 0.00 0.00 176.35 173.88 2png h ASP 37 N 7.42 -0.03 0.00 1.48 2.03 -1.95 -3.47 116.42 121.90 2png h ASP 37 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2png h ASP 37 Cb 1.11 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2png h ASP 37 CO 0.86 -0.01 0.00 -1.20 -1.03 0.00 0.00 179.24 177.86 2png n SER 38 N -2.10 -0.71 -0.08 4.15 7.64 -1.26 -4.91 113.62 116.35 2png n SER 38 Ca -0.00 0.19 -0.04 0.00 1.01 0.00 0.00 58.87 60.03 2png n SER 38 Cb 0.01 0.96 0.19 0.00 -1.01 0.00 0.00 64.21 64.36 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 0.68 0.00 -3.43 5.85 -1.97 0.11 115.31 116.55 2png h LEU 39 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 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 0.77 0.00 0.23 -0.34 0.00 0.00 178.44 179.10 2png n MET 40 N -4.22 0.25 0.00 1.25 2.81 -1.26 -0.78 117.12 115.18 2png n MET 40 Ca 0.02 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2png n MET 40 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.42 0.00 0.15 3.03 0.00 -0.42 -4.71 105.19 102.82 2png n GLY 41 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 1.41 -0.59 1.61 2.07 -0.50 -2.99 116.25 117.25 2png h VAL 42 Ca 0.00 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 2png h VAL 42 Cb 0.91 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 2png h VAL 42 CO 0.00 0.55 0.21 -0.08 0.02 0.00 0.00 177.57 178.26 2png h GLU 43 N -0.04 0.87 -0.03 1.57 4.81 -1.19 -1.07 114.58 119.50 2png h GLU 43 Ca -0.04 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2png h GLU 43 Cb 1.14 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 2png h GLU 43 CO 0.10 0.74 -0.10 0.28 -0.73 0.00 0.00 179.01 179.29 2png h VAL 44 N 0.85 0.73 -0.51 0.32 2.07 -1.72 0.60 116.25 118.59 2png h VAL 44 Ca 0.20 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 2png h VAL 44 Cb 0.21 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2png h VAL 44 CO -0.01 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.78 2png h ARG 45 N -0.16 0.33 -0.29 1.57 3.08 -1.18 -1.95 114.38 115.78 2png h ARG 45 Ca 0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2png h ARG 45 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2png h ARG 45 CO -0.13 0.22 0.14 1.96 -1.07 0.00 0.00 179.97 181.08 2png h GLN 46 N 0.34 0.43 0.05 0.04 4.20 -0.48 -0.70 115.11 118.98 2png h GLN 46 Ca 0.25 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2png h GLN 46 Cb 0.29 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2png h GLN 46 CO -0.27 0.41 -0.05 0.82 -0.67 0.00 0.00 178.83 179.07 2png h ILE 47 N 0.34 0.88 -0.30 2.54 2.04 -0.44 -1.36 117.51 121.21 2png h ILE 47 Ca 0.10 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 2png h ILE 47 Cb 0.13 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2png h ILE 47 CO -0.01 0.00 -0.38 -0.07 0.00 0.00 0.00 178.15 177.69 2png h LEU 48 N -0.11 0.73 -1.10 1.44 -0.00 -1.33 -1.19 115.31 113.75 2png h LEU 48 Ca 0.00 -0.32 -0.08 0.00 -0.00 0.00 0.00 57.88 57.48 2png h LEU 48 Cb 0.11 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 2png h LEU 48 CO -0.02 1.03 -0.24 -0.08 -0.00 0.00 0.00 178.44 179.14 2png h GLU 49 N 0.57 0.35 0.00 1.13 4.81 -0.65 0.27 114.58 121.07 2png h GLU 49 Ca 0.05 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2png h GLU 49 Cb 0.91 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2png h GLU 49 CO 0.08 0.57 -0.68 0.00 -0.73 0.00 0.00 179.01 178.25 2png h ARG 50 N 0.31 0.00 -0.25 1.92 3.08 -1.11 -3.30 114.38 115.03 2png h ARG 50 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2png h ARG 50 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2png h ARG 50 CO 0.04 0.29 -0.12 0.93 -1.07 0.00 0.00 179.97 180.04 2png h GLU 51 N -1.00 0.52 0.00 0.04 4.39 -1.33 -3.34 114.58 113.86 2png h GLU 51 Ca -0.10 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2png h GLU 51 Cb 0.71 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2png h GLU 51 CO -0.06 0.78 -0.05 0.72 -1.16 0.00 0.00 179.01 179.25 2png n HIS 52 N -4.48 0.00 -3.47 4.33 8.25 -1.17 -5.03 115.22 113.65 2png n HIS 52 Ca -0.04 -0.35 -0.19 0.00 -0.26 0.00 0.00 57.72 56.89 2png n HIS 52 Cb 0.35 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.40 -6.14 -4.06 0.41 2.03 -0.51 -5.00 116.55 102.88 2png n ASP 53 Ca 0.02 -0.68 -0.32 0.00 0.52 0.00 0.00 54.79 54.33 2png n ASP 53 Cb 0.42 -3.79 -0.16 0.00 -0.72 0.00 0.00 41.12 36.88 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 -5.26 2.53 -0.91 -2.67 1.02 0.85 -4.93 118.68 109.32 2png s LEU 54 Ca 0.22 -0.93 -0.22 0.00 0.02 0.00 0.00 54.13 53.22 2png s LEU 54 Cb -0.07 -1.41 0.08 0.00 0.02 0.00 0.00 46.19 44.82 2png s LEU 54 CO 0.82 -0.10 1.24 -0.69 0.02 0.00 0.00 176.35 177.64 2png s VAL 55 N 1.28 4.28 -0.39 -1.59 1.01 -1.26 -2.23 120.40 121.49 2png s VAL 55 Ca -0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2png s VAL 55 Cb -0.16 -4.88 0.11 0.00 0.00 0.00 0.00 36.38 31.45 2png s VAL 55 CO -0.09 -1.69 0.16 -0.22 0.00 0.00 0.00 175.10 173.26 2png s LEU 56 N 4.02 5.08 0.00 3.92 2.96 -1.26 -5.08 118.68 128.31 2png s LEU 56 Ca 0.36 -2.11 0.04 0.00 -0.22 0.00 0.00 54.13 52.21 2png s LEU 56 Cb -0.05 -1.76 0.10 0.00 0.50 0.00 0.00 46.19 44.98 2png s LEU 56 CO -0.05 -0.48 0.72 -0.81 -1.32 0.00 0.00 176.35 174.42 2png n PRO 57 N 4.43 0.39 0.22 0.98 -0.05 -1.26 -4.07 135.00 135.64 2png n PRO 57 Ca 0.00 -2.39 0.07 0.00 -0.05 0.00 0.00 63.50 61.12 2png n PRO 57 Cb 0.41 -0.35 0.52 0.00 -0.05 0.00 0.00 33.50 34.04 2png n PRO 57 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 2png h ILE 58 N -0.21 1.00 0.00 0.52 5.03 -1.96 0.86 117.51 122.76 2png h ILE 58 Ca -0.24 -0.79 0.00 0.00 -0.12 0.00 0.00 64.86 63.70 2png h ILE 58 Cb 1.01 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 36.24 2png h ILE 58 CO 0.30 0.22 0.00 -2.11 -0.68 0.00 0.00 178.15 175.88 2png n ARG 59 N -4.05 0.06 -0.02 2.37 0.00 -1.26 -0.25 116.66 113.52 2png n ARG 59 Ca -0.02 0.28 -0.05 0.00 -0.00 0.00 0.00 57.85 58.07 2png n ARG 59 Cb 0.29 -1.50 -0.02 0.00 -0.00 0.00 0.00 32.46 31.24 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 -1.37 0.25 -0.29 2.89 -0.58 -0.10 -4.78 120.64 116.66 2png n GLU 60 Ca 0.03 0.10 0.07 0.00 -0.42 0.00 0.00 57.16 56.93 2png n GLU 60 Cb 0.06 -0.93 0.22 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.46 0.73 0.00 2.62 2.07 -0.65 -1.02 116.25 119.53 2png h VAL 61 Ca -0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2png h VAL 61 Cb 0.50 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2png h VAL 61 CO -0.01 0.11 -0.08 -0.09 0.02 0.00 0.00 177.57 177.52 2png h ARG 62 N 0.62 0.00 -0.09 1.57 2.43 -0.86 -0.66 114.38 117.38 2png h ARG 62 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2png h ARG 62 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2png h ARG 62 CO -0.36 0.08 0.00 1.04 -1.51 0.00 0.00 179.97 179.22 2png n GLN 63 N -3.37 2.28 -2.33 0.20 3.00 -0.41 -2.53 117.38 114.21 2png n GLN 63 Ca -0.01 -1.87 -0.33 0.00 -0.01 0.00 0.00 57.00 54.78 2png n GLN 63 Cb 0.25 -1.47 -0.02 0.00 0.00 0.00 0.00 30.24 29.00 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 -1.91 3.64 0.00 1.08 1.43 -0.26 -4.75 118.68 117.91 2png s LEU 64 Ca 0.31 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2png s LEU 64 Cb 0.21 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2png s LEU 64 CO 0.31 -0.78 0.00 0.35 0.23 0.00 0.00 176.35 176.45 2png n THR 65 N -1.57 0.00 0.11 5.49 -2.24 -1.26 0.03 114.28 114.84 2png n THR 65 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2png n THR 65 Cb 0.53 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.37 -0.94 0.11 3.22 -0.00 -1.26 -4.11 117.00 113.65 2png n LEU 66 Ca 0.00 0.39 0.13 0.00 -0.00 0.00 0.00 56.01 56.53 2png n LEU 66 Cb 0.00 1.03 0.42 0.00 -0.00 0.00 0.00 43.42 44.87 2png n LEU 66 CO 0.00 -0.46 0.88 0.54 -0.00 0.00 0.00 177.39 178.36 2png n ARG 67 N -3.10 0.25 0.29 1.96 5.12 -1.26 -1.81 116.66 118.12 2png n ARG 67 Ca 0.00 0.25 0.18 0.00 -1.93 0.00 0.00 57.85 56.35 2png n ARG 67 Cb 0.00 -1.82 0.80 0.00 -1.16 0.00 0.00 32.46 30.28 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 -0.25 5.56 3.64 -1.89 -2.28 116.57 121.36 2png h LYS 68 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2png h LYS 68 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2png h LYS 68 CO 0.00 0.02 0.16 -0.07 -2.27 0.00 0.00 179.45 177.28 2png h LEU 69 N 0.00 0.29 -1.29 5.20 -0.00 -1.69 -1.59 115.31 116.24 2png h LEU 69 Ca -0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 2png h LEU 69 Cb 0.40 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 2png h LEU 69 CO 0.00 0.24 -0.22 0.06 -0.00 0.00 0.00 178.44 178.52 2png h GLN 70 N 0.32 0.00 0.00 1.13 3.07 -1.57 0.18 115.11 118.24 2png h GLN 70 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2png h GLN 70 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.55 2png h GLN 70 CO -0.02 0.22 0.00 0.39 0.09 0.00 0.00 178.83 179.51 2png n GLU 71 N -3.47 0.20 -0.05 0.06 -0.58 -0.92 -2.63 120.64 113.25 2png n GLU 71 Ca -0.00 0.21 0.02 0.00 -0.42 0.00 0.00 57.16 56.96 2png n GLU 71 Cb 0.39 -1.75 0.05 0.00 -0.57 0.00 0.00 31.44 29.56 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2png n MET 72 N -2.10 2.83 0.12 3.49 2.81 -0.62 -4.61 117.12 119.03 2png n MET 72 Ca 0.05 -1.73 -0.01 0.00 -1.81 0.00 0.00 57.70 54.20 2png n MET 72 Cb 0.38 -1.12 0.03 0.00 -0.71 0.00 0.00 33.22 31.80 2png n MET 72 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2png h SER 73 N 0.44 0.00 -5.85 7.83 0.87 -0.45 -3.49 113.55 112.91 2png h SER 73 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2png h SER 73 Cb 0.61 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2png h SER 73 CO 0.01 0.68 -0.70 -0.24 -0.53 0.00 0.00 176.83 176.04 2png n SER 74 N -3.36 -6.85 0.08 6.23 2.88 -1.26 -4.88 113.62 106.46 2png n SER 74 Ca 0.01 0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.57 2png n SER 74 Cb 0.77 -3.84 -0.07 0.00 -0.75 0.00 0.00 64.21 60.32 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 1.53 0.00 0.00 -1.46 6.56 -1.94 -3.46 116.57 117.80 2png h LYS 75 Ca -0.24 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.82 2png h LYS 75 Cb 1.17 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.70 2png h LYS 75 CO 0.24 0.85 -0.48 0.00 -2.06 0.00 0.00 179.45 178.01 2png n ALA 76 N -2.32 0.66 -2.86 3.86 0.00 -1.26 -5.08 120.51 113.51 2png n ALA 76 Ca 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 53.44 51.28 2png n ALA 76 Cb 0.87 1.51 0.05 0.00 0.00 0.00 0.00 19.45 21.88 2png n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 77 N -0.77 1.28 3.77 0.00 0.00 -1.26 -5.10 105.19 103.11 2png n GLY 77 Ca 0.01 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.58 7.31 -0.20 1.61 0.01 -1.26 -5.04 113.70 114.55 2png s SER 78 Ca 0.28 2.02 -0.01 0.00 1.31 0.00 0.00 55.95 59.56 2png s SER 78 Cb 0.29 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2png s SER 78 CO -0.09 -0.10 -0.14 -0.62 0.41 0.00 0.00 173.24 172.70 2png s ASP 79 N -1.29 3.62 -0.60 2.44 2.15 -1.26 -5.06 116.67 116.67 2png s ASP 79 Ca 0.47 -0.63 -0.27 0.00 0.43 0.00 0.00 52.55 52.56 2png s ASP 79 Cb -0.25 -1.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.79 2png s ASP 79 CO 0.31 -0.02 1.67 0.42 -0.17 0.00 0.00 175.17 177.38 2png s THR 80 N 1.34 3.51 -0.94 1.71 -4.23 -1.26 -4.91 115.64 110.86 2png s THR 80 Ca 0.04 0.35 -0.18 0.00 -1.18 0.00 0.00 61.69 60.73 2png s THR 80 Cb -0.14 -4.18 0.15 0.00 1.34 0.00 0.00 72.50 69.67 2png s THR 80 CO -0.09 -1.08 1.10 -0.70 -0.54 0.00 0.00 174.62 173.31 2png s GLU 81 N 6.41 3.64 -0.17 3.99 2.12 -1.26 -4.99 118.70 128.44 2png s GLU 81 Ca 0.60 -1.93 -0.02 0.00 0.36 0.00 0.00 54.97 53.97 2png s GLU 81 Cb -0.12 -4.86 -0.01 0.00 0.26 0.00 0.00 34.13 29.40 2png s GLU 81 CO 0.22 -1.70 -0.07 -0.51 -0.54 0.00 0.00 175.26 172.65 2png s LEU 82 N 2.22 2.90 -0.52 2.70 1.43 -1.26 -5.05 118.68 121.10 2png s LEU 82 Ca 0.31 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 2png s LEU 82 Cb -0.05 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2png s LEU 82 CO -0.09 0.09 1.58 0.00 0.23 0.00 0.00 176.35 178.15 2png s ALA 83 N 0.84 2.70 0.14 4.21 0.00 -1.26 -4.99 121.76 123.41 2png s ALA 83 Ca -0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 2png s ALA 83 Cb -0.15 -4.12 -0.07 0.00 0.00 0.00 0.00 23.12 18.79 2png s ALA 83 CO 0.01 -3.04 0.52 0.00 0.00 0.00 0.00 175.76 173.25 2png s ALA 84 N 6.79 3.60 0.17 0.00 0.00 -1.26 -5.02 121.76 126.05 2png s ALA 84 Ca 0.61 -0.19 -0.34 0.00 0.00 0.00 0.00 51.96 52.05 2png s ALA 84 Cb -0.13 -2.47 -0.14 0.00 0.00 0.00 0.00 23.12 20.38 2png s ALA 84 CO 0.26 0.48 1.52 -2.30 0.00 0.00 0.00 175.76 175.72 2png n PRO 85 N 0.74 2.03 0.10 0.00 -0.02 -1.26 -4.87 135.00 131.73 2png n PRO 85 Ca -0.05 0.73 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 2png n PRO 85 Cb 0.52 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 2png n PRO 85 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2png h LYS 86 N 5.44 0.28 -2.35 -0.52 1.57 -2.04 -3.43 116.57 115.52 2png h LYS 86 Ca -0.45 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 57.77 2png h LYS 86 Cb 1.27 0.18 -0.27 0.00 0.08 0.00 0.00 32.23 33.48 2png h LYS 86 CO 0.85 1.22 -0.37 -1.54 -0.57 0.00 0.00 179.45 179.04 2png s SER 87 N -7.15 -0.26 -0.04 0.86 1.04 -1.26 -5.07 113.70 101.81 2png s SER 87 Ca -0.04 0.91 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 2png s SER 87 Cb 0.07 1.39 -0.01 0.00 0.10 0.00 0.00 66.02 67.57 2png s SER 87 CO 0.88 -0.24 0.11 0.11 0.98 0.00 0.00 173.24 175.08 2png h LYS 88 N 8.16 -0.06 0.00 4.02 1.57 -2.00 -3.55 116.57 124.71 2png h LYS 88 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2png h LYS 88 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2png h LYS 88 CO 0.15 -0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.26