#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 3.70 -1.13 1.61 8.00 -1.26 -3.92 116.55 123.55 2png n ASP 2 Ca 0.00 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.70 2png n ASP 2 Cb 0.00 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 39.54 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 4.59 0.80 3.08 0.44 0.00 -1.26 -5.05 105.19 107.78 2png n GLY 3 Ca 0.50 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.64 -0.15 1.61 2.02 -1.25 -4.98 118.70 118.57 2png s GLU 4 Ca 0.18 -0.69 -0.14 0.00 0.02 0.00 0.00 54.97 54.33 2png s GLU 4 Cb 0.20 -2.30 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 2png s GLU 4 CO -0.09 -0.19 -0.29 0.00 0.02 0.00 0.00 175.26 174.72 2png n ALA 5 N 4.59 1.33 -3.64 5.21 0.00 -1.26 -5.10 120.51 121.64 2png n ALA 5 Ca -0.19 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.49 2png n ALA 5 Cb 0.50 0.10 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.66 0.11 0.30 0.00 2.00 -1.26 -4.87 119.66 113.28 2png s GLN 6 Ca -0.26 0.03 -0.12 0.00 -2.00 0.00 0.00 55.36 53.01 2png s GLN 6 Cb 0.05 0.05 -0.08 0.00 0.80 0.00 0.00 33.01 33.84 2png s GLN 6 CO 0.36 -0.04 0.67 0.50 -0.50 0.00 0.00 175.29 176.28 2png s ARG 7 N -1.03 3.87 0.21 1.67 3.52 -1.26 -4.96 118.95 120.98 2png s ARG 7 Ca 0.08 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.83 2png s ARG 7 Cb -0.01 -2.51 -0.09 0.00 -1.56 0.00 0.00 34.95 30.78 2png s ARG 7 CO -0.07 0.18 1.36 -0.51 -0.81 0.00 0.00 175.30 175.45 2png s ASP 8 N -2.51 6.80 0.24 -2.12 1.01 -1.26 -4.87 116.67 113.96 2png s ASP 8 Ca 0.51 2.50 0.21 0.00 0.71 0.00 0.00 52.55 56.47 2png s ASP 8 Cb -0.11 -2.61 0.96 0.00 1.01 0.00 0.00 42.92 42.17 2png s ASP 8 CO 0.22 -0.60 1.64 0.18 0.21 0.00 0.00 175.17 176.82 2png n LEU 9 N 2.56 0.55 0.16 1.23 4.77 -1.26 -0.38 117.00 124.63 2png n LEU 9 Ca 0.07 0.67 0.04 0.00 -0.03 0.00 0.00 56.01 56.75 2png n LEU 9 Cb 0.42 -0.64 0.15 0.00 -2.33 0.00 0.00 43.42 41.02 2png n LEU 9 CO 0.59 -0.65 0.55 0.58 -1.33 0.00 0.00 177.39 177.12 2png h VAL 10 N 0.00 0.89 -0.48 4.08 2.07 -1.86 0.45 116.25 121.41 2png h VAL 10 Ca 0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2png h VAL 10 Cb 0.22 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2png h VAL 10 CO 0.00 0.46 0.00 0.29 0.02 0.00 0.00 177.57 178.34 2png n LYS 11 N -3.34 2.18 0.06 1.57 4.76 0.49 -2.47 118.16 121.40 2png n LYS 11 Ca 0.01 -1.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.71 2png n LYS 11 Cb 0.65 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 0.89 3.00 0.04 7.82 0.00 -1.10 -4.59 120.51 126.56 2png n ALA 12 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2png n ALA 12 Cb 0.43 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 0.00 2.07 -0.28 -2.86 116.25 116.17 2png h VAL 13 Ca 0.00 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2png h VAL 13 Cb 0.00 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2png h VAL 13 CO 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 2png h ALA 14 N -0.14 1.47 -0.15 1.67 0.00 -1.51 -1.15 119.26 119.45 2png h ALA 14 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2png h ALA 14 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2png h ALA 14 CO 0.03 0.18 -0.00 1.25 0.00 0.00 0.00 179.25 180.71 2png h HIS 15 N 0.00 0.22 0.00 0.00 2.76 -1.39 0.25 115.15 116.99 2png h HIS 15 Ca -0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2png h HIS 15 Cb 0.32 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 2png h HIS 15 CO 0.00 0.24 -0.16 0.82 -1.30 0.00 0.00 177.93 177.52 2png h ILE 16 N 0.22 0.38 -0.03 6.26 1.08 -0.97 -2.31 117.51 122.14 2png h ILE 16 Ca 0.05 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2png h ILE 16 Cb 0.16 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2png h ILE 16 CO 0.00 0.16 -0.07 0.18 -0.69 0.00 0.00 178.15 177.73 2png n LEU 17 N -3.28 2.79 -0.17 1.44 4.77 -0.19 -4.94 117.00 117.42 2png n LEU 17 Ca 0.01 -0.94 -0.02 0.00 -0.03 0.00 0.00 56.01 55.02 2png n LEU 17 Cb 0.42 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2png n LEU 17 CO 0.32 0.47 -0.02 0.61 -1.33 0.00 0.00 177.39 177.44 2png n GLY 18 N 1.35 0.55 3.50 -0.72 0.00 -0.24 -5.02 105.19 104.62 2png n GLY 18 Ca 0.13 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.08 2.79 0.00 -0.61 -4.36 0.70 -4.91 121.20 112.73 2png s ILE 19 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 2png s ILE 19 Cb 0.00 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.33 2png s ILE 19 CO 0.00 -0.16 0.00 -1.14 0.24 0.00 0.00 174.94 173.88 2png n ARG 20 N 0.01 0.00 0.08 0.37 0.63 -1.26 -3.34 116.66 113.15 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 -0.08 0.00 0.45 0.00 0.00 32.46 33.39 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 -0.18 -1.36 6.15 3.04 -1.98 -3.47 116.42 118.63 2png h ASP 21 Ca 0.00 -0.24 -0.37 0.00 -3.24 0.00 0.00 57.03 53.18 2png h ASP 21 Cb 0.00 0.05 -0.11 0.00 -1.04 0.00 0.00 39.33 38.23 2png h ASP 21 CO 0.00 0.16 -0.38 0.18 -2.04 0.00 0.00 179.24 177.16 2png n LEU 22 N -5.04 -1.47 0.06 0.15 7.99 -1.26 -4.87 117.00 112.56 2png n LEU 22 Ca -0.09 0.32 -0.03 0.00 -0.01 0.00 0.00 56.01 56.20 2png n LEU 22 Cb 0.22 -2.58 0.22 0.00 -0.11 0.00 0.00 43.42 41.16 2png n LEU 22 CO 0.32 -0.74 0.68 0.00 -1.51 0.00 0.00 177.39 176.14 2png h ALA 23 N 0.24 1.10 -0.12 -1.18 0.00 -2.01 -3.26 119.26 114.03 2png h ALA 23 Ca -0.39 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 2png h ALA 23 Cb 1.23 -0.10 -0.36 0.00 0.00 0.00 0.00 17.79 18.56 2png h ALA 23 CO 0.54 0.57 -0.95 0.41 0.00 0.00 0.00 179.25 179.82 2png n GLY 24 N -0.26 1.22 3.52 0.00 0.00 -1.26 -5.08 105.19 103.33 2png n GLY 24 Ca -0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.05 3.08 -0.13 -0.61 1.09 -1.23 -5.06 121.20 117.28 2png s ILE 25 Ca 0.27 -1.29 -0.34 0.00 -1.10 0.00 0.00 60.65 58.19 2png s ILE 25 Cb 0.33 -2.39 -0.12 0.00 -1.06 0.00 0.00 42.46 39.23 2png s ILE 25 CO -0.12 0.18 1.92 0.59 -0.10 0.00 0.00 174.94 177.41 2png n ASN 26 N 0.99 3.27 -0.06 3.58 4.13 -1.26 -4.85 115.26 121.06 2png n ASN 26 Ca -0.15 0.89 -0.06 0.00 1.68 0.00 0.00 54.58 56.95 2png n ASN 26 Cb 0.52 -1.35 -0.09 0.00 -1.54 0.00 0.00 39.78 37.32 2png n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2png n LEU 27 N 7.10 0.11 0.10 3.41 4.77 -1.26 -4.56 117.00 126.67 2png n LEU 27 Ca 0.25 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 2png n LEU 27 Cb 0.29 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2png n LEU 27 CO 0.74 0.31 0.23 -0.78 -1.33 0.00 0.00 177.39 176.56 2png h ASP 28 N 0.00 0.00 -3.91 -1.43 3.58 -2.00 -3.40 116.42 109.26 2png h ASP 28 Ca -0.32 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.64 2png h ASP 28 Cb 1.71 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.79 2png h ASP 28 CO 0.01 0.65 0.46 -0.44 -2.88 0.00 0.00 179.24 177.05 2png s SER 29 N -6.40 6.82 0.71 2.28 0.01 -1.26 -4.96 113.70 110.90 2png s SER 29 Ca 0.02 2.20 -0.15 0.00 1.31 0.00 0.00 55.95 59.34 2png s SER 29 Cb 0.08 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2png s SER 29 CO 0.78 -0.45 1.16 -0.44 0.41 0.00 0.00 173.24 174.69 2png s SER 30 N -1.23 4.54 0.30 2.44 0.01 -1.26 -4.25 113.70 114.24 2png s SER 30 Ca 0.54 2.17 0.05 0.00 1.31 0.00 0.00 55.95 60.02 2png s SER 30 Cb -0.28 -2.57 0.70 0.00 0.21 0.00 0.00 66.02 64.09 2png s SER 30 CO 0.35 -2.02 1.77 0.25 0.41 0.00 0.00 173.24 174.00 2png h LEU 31 N -0.25 0.74 -0.60 2.44 5.85 -0.25 0.11 115.31 123.35 2png h LEU 31 Ca -0.47 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 2png h LEU 31 Cb 1.27 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2png h LEU 31 CO 0.51 0.26 -0.03 0.00 -0.34 0.00 0.00 178.44 178.85 2png h ALA 32 N 1.63 0.81 -0.38 1.25 0.00 -1.78 -2.94 119.26 117.85 2png h ALA 32 Ca 0.56 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2png h ALA 32 Cb 0.86 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2png h ALA 32 CO -0.38 0.67 -0.10 0.22 0.00 0.00 0.00 179.25 179.65 2png h ASP 33 N 0.97 0.64 -1.00 0.00 3.58 -1.12 -1.78 116.42 117.70 2png h ASP 33 Ca 0.17 -0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.51 2png h ASP 33 Cb 0.59 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.40 2png h ASP 33 CO 0.04 0.78 0.65 -0.07 -2.88 0.00 0.00 179.24 177.75 2png h LEU 34 N 0.60 1.02 0.00 2.28 3.38 -1.06 -3.46 115.31 118.08 2png h LEU 34 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2png h LEU 34 Cb 0.53 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2png h LEU 34 CO 0.03 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2png n GLY 35 N -1.36 0.52 3.69 0.83 0.00 -0.68 -5.10 105.19 103.09 2png n GLY 35 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 4.30 -0.00 0.99 0.05 -1.15 -4.94 118.68 117.92 2png s LEU 36 Ca 0.00 1.95 -0.00 0.00 0.05 0.00 0.00 54.13 56.13 2png s LEU 36 Cb 0.00 -3.56 -0.00 0.00 -2.05 0.00 0.00 46.19 40.58 2png s LEU 36 CO 0.00 -0.63 -0.00 -0.67 -0.55 0.00 0.00 176.35 174.50 2png n ASP 37 N 5.17 0.02 0.11 1.48 -0.08 -1.26 -4.90 116.55 117.09 2png n ASP 37 Ca 0.12 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 2png n ASP 37 Cb 0.45 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.41 2png n ASP 37 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2png n SER 38 N -2.30 -1.14 -0.02 1.67 2.88 -1.26 -4.89 113.62 108.56 2png n SER 38 Ca -0.00 0.40 0.18 0.00 -1.33 0.00 0.00 58.87 58.12 2png n SER 38 Cb 0.00 1.23 0.64 0.00 -0.75 0.00 0.00 64.21 65.33 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 0.10 0.00 2.46 5.85 -1.98 0.74 115.31 122.48 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 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2png h LEU 39 CO 0.00 0.05 0.00 0.23 -0.34 0.00 0.00 178.44 178.38 2png n MET 40 N -4.41 0.13 -0.04 1.25 2.81 -1.26 0.15 117.12 115.75 2png n MET 40 Ca 0.10 0.20 -0.05 0.00 -1.81 0.00 0.00 57.70 56.15 2png n MET 40 Cb 0.55 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.50 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 -0.31 -0.31 0.15 3.03 0.00 0.21 -4.63 105.19 103.33 2png n GLY 41 Ca 0.05 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 1.39 -0.90 1.61 2.07 -0.87 -3.24 116.25 116.31 2png h VAL 42 Ca -0.21 -2.13 0.08 0.00 0.82 0.00 0.00 66.70 65.25 2png h VAL 42 Cb 1.44 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 33.70 2png h VAL 42 CO -0.00 0.63 0.58 -0.08 0.02 0.00 0.00 177.57 178.72 2png h GLU 43 N 0.02 0.95 0.53 1.57 4.57 -0.57 0.73 114.58 122.38 2png h GLU 43 Ca -0.09 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2png h GLU 43 Cb 1.42 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2png h GLU 43 CO 0.14 0.63 -0.37 0.28 -1.18 0.00 0.00 179.01 178.51 2png h VAL 44 N 0.98 0.24 -0.82 0.32 2.07 -1.76 -1.52 116.25 115.76 2png h VAL 44 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 2png h VAL 44 Cb 0.28 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2png h VAL 44 CO -0.16 0.00 0.52 -0.09 0.02 0.00 0.00 177.57 177.86 2png h ARG 45 N -0.87 1.09 -0.05 1.57 2.43 -1.42 -1.22 114.38 115.90 2png h ARG 45 Ca -0.06 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2png h ARG 45 Cb 0.73 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2png h ARG 45 CO 0.03 0.74 0.09 1.96 -1.51 0.00 0.00 179.97 181.28 2png h GLN 46 N 1.11 0.00 0.00 0.20 1.08 -0.38 0.31 115.11 117.43 2png h GLN 46 Ca 0.30 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2png h GLN 46 Cb -0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2png h GLN 46 CO -0.06 0.00 -0.10 0.82 -0.95 0.00 0.00 178.83 178.54 2png h ILE 47 N 0.00 0.08 -0.33 2.54 2.04 -0.21 -3.28 117.51 118.35 2png h ILE 47 Ca 0.02 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 2png h ILE 47 Cb 0.20 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2png h ILE 47 CO -0.00 0.03 0.11 -0.07 0.00 0.00 0.00 178.15 178.21 2png h LEU 48 N -1.00 0.48 -1.17 1.44 -0.00 -1.03 0.51 115.31 114.54 2png h LEU 48 Ca -0.00 -0.20 -0.06 0.00 -0.00 0.00 0.00 57.88 57.62 2png h LEU 48 Cb 0.14 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2png h LEU 48 CO -0.00 0.55 -0.07 -0.08 -0.00 0.00 0.00 178.44 178.84 2png h GLU 49 N 0.38 0.50 0.00 1.13 4.81 0.51 0.35 114.58 122.26 2png h GLU 49 Ca 0.11 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2png h GLU 49 Cb 0.24 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2png h GLU 49 CO -0.00 0.58 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.64 2png h ARG 50 N 0.47 0.00 -0.21 1.92 2.43 -1.55 -2.84 114.38 114.60 2png h ARG 50 Ca 0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2png h ARG 50 Cb 0.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2png h ARG 50 CO 0.02 0.11 -0.09 0.93 -1.51 0.00 0.00 179.97 179.43 2png h GLU 51 N -1.00 0.42 0.00 0.20 4.39 -0.96 -3.34 114.58 114.30 2png h GLU 51 Ca -0.01 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2png h GLU 51 Cb 0.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2png h GLU 51 CO -0.00 0.70 0.00 0.72 -1.16 0.00 0.00 179.01 179.27 2png n HIS 52 N -4.56 0.00 -3.19 4.33 8.25 -0.86 -5.01 115.22 114.17 2png n HIS 52 Ca -0.05 -0.12 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 2png n HIS 52 Cb 0.32 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.12 -2.79 -4.08 0.41 2.03 -0.56 -4.98 116.55 106.46 2png n ASP 53 Ca 0.00 -0.55 -0.35 0.00 0.52 0.00 0.00 54.79 54.41 2png n ASP 53 Cb 0.07 -4.50 -0.12 0.00 -0.72 0.00 0.00 41.12 35.86 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 -5.62 5.07 -1.00 -2.67 1.02 0.00 -4.88 118.68 110.61 2png s LEU 54 Ca 0.08 -2.45 -0.23 0.00 0.02 0.00 0.00 54.13 51.54 2png s LEU 54 Cb -0.01 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.44 2png s LEU 54 CO 0.63 -0.43 1.57 -0.69 0.02 0.00 0.00 176.35 177.46 2png s VAL 55 N 0.52 3.82 -0.43 -1.59 1.01 -1.26 -1.69 120.40 120.78 2png s VAL 55 Ca 0.13 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2png s VAL 55 Cb -0.22 -4.83 0.02 0.00 0.00 0.00 0.00 36.38 31.36 2png s VAL 55 CO -0.04 -1.71 0.63 -0.76 0.00 0.00 0.00 175.10 173.22 2png s LEU 56 N 6.14 4.49 0.69 3.92 1.43 -1.26 -5.04 118.68 129.05 2png s LEU 56 Ca 0.52 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 2png s LEU 56 Cb -0.01 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.50 2png s LEU 56 CO -0.07 -0.76 1.11 -2.84 0.23 0.00 0.00 176.35 174.02 2png s PRO 57 N 2.79 2.64 0.38 1.29 0.02 -1.26 -4.61 135.00 136.24 2png s PRO 57 Ca 0.22 1.37 0.09 0.00 0.02 0.00 0.00 61.00 62.70 2png s PRO 57 Cb -0.14 -1.93 0.75 0.00 0.02 0.00 0.00 34.50 33.20 2png s PRO 57 CO 0.18 -1.37 1.91 0.82 -0.33 0.00 0.00 177.00 178.21 2png h ILE 58 N -0.23 1.18 0.00 2.83 5.03 -1.97 -0.21 117.51 124.14 2png h ILE 58 Ca -0.46 -0.79 0.00 0.00 -0.12 0.00 0.00 64.86 63.49 2png h ILE 58 Cb 1.25 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 36.21 2png h ILE 58 CO 0.53 0.25 0.00 -2.11 -0.68 0.00 0.00 178.15 176.14 2png n ARG 59 N -4.27 0.05 -0.10 2.37 0.00 -1.26 0.14 116.66 113.59 2png n ARG 59 Ca -0.00 0.31 -0.20 0.00 -0.00 0.00 0.00 57.85 57.95 2png n ARG 59 Cb 0.27 -1.50 -0.07 0.00 -0.00 0.00 0.00 32.46 31.16 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 -1.38 0.40 -0.03 2.89 1.02 -0.23 -4.66 120.64 118.65 2png n GLU 60 Ca 0.02 0.17 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 2png n GLU 60 Cb 0.06 -1.18 0.48 0.00 -0.02 0.00 0.00 31.44 30.78 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 -0.65 0.98 0.00 2.62 2.07 -0.61 -2.01 116.25 118.65 2png h VAL 61 Ca -0.48 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2png h VAL 61 Cb 1.43 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2png h VAL 61 CO -0.28 0.08 -0.03 -0.09 0.02 0.00 0.00 177.57 177.26 2png h ARG 62 N 0.43 0.00 -0.18 1.57 2.43 -0.56 -0.83 114.38 117.24 2png h ARG 62 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2png h ARG 62 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2png h ARG 62 CO -0.05 0.03 0.00 1.04 -1.51 0.00 0.00 179.97 179.48 2png n GLN 63 N -3.78 2.32 -2.35 0.20 3.00 -0.76 -1.97 117.38 114.06 2png n GLN 63 Ca -0.03 -2.05 -0.42 0.00 -0.01 0.00 0.00 57.00 54.50 2png n GLN 63 Cb 0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.87 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 -1.72 4.36 0.50 1.08 1.43 -0.32 -4.59 118.68 119.42 2png s LEU 64 Ca 0.32 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.38 2png s LEU 64 Cb 0.21 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 2png s LEU 64 CO 0.30 -0.55 0.91 0.42 0.23 0.00 0.00 176.35 177.65 2png s THR 65 N 1.31 4.69 0.26 5.49 -4.23 -1.26 -0.69 115.64 121.21 2png s THR 65 Ca 0.60 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 61.94 2png s THR 65 Cb -0.31 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.00 2png s THR 65 CO 0.29 -0.76 1.79 0.25 -0.54 0.00 0.00 174.62 175.65 2png h LEU 66 N 0.67 0.65 -0.24 4.79 7.12 -1.78 0.21 115.31 126.73 2png h LEU 66 Ca -0.46 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.62 2png h LEU 66 Cb 1.19 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2png h LEU 66 CO 0.62 0.32 -0.10 -1.14 -0.13 0.00 0.00 178.44 178.01 2png n ARG 67 N -4.79 0.72 0.10 1.25 3.00 -1.26 -2.56 116.66 113.12 2png n ARG 67 Ca 0.16 -0.24 0.12 0.00 -0.00 0.00 0.00 57.85 57.89 2png n ARG 67 Cb 0.37 -1.49 0.14 0.00 0.00 0.00 0.00 32.46 31.47 2png n ARG 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2png h LYS 68 N 0.60 0.00 -1.01 -0.14 3.64 -0.95 -3.32 116.57 115.39 2png h LYS 68 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2png h LYS 68 Cb 0.35 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 2png h LYS 68 CO 0.00 0.00 0.65 -0.07 -2.27 0.00 0.00 179.45 177.76 2png h LEU 69 N 0.00 1.01 -0.31 5.20 -0.00 -1.19 0.68 115.31 120.71 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 0.85 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2png h LEU 69 CO 0.00 0.62 0.00 0.06 -0.00 0.00 0.00 178.44 179.12 2png h GLN 70 N 1.13 0.00 0.16 1.13 3.07 -1.76 -0.03 115.11 118.81 2png h GLN 70 Ca 0.45 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.85 2png h GLN 70 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2png h GLN 70 CO -0.20 0.00 -1.70 1.49 0.09 0.00 0.00 178.83 178.51 2png h GLU 71 N 0.00 0.34 -0.01 0.06 4.81 -1.28 -3.29 114.58 115.21 2png h GLU 71 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2png h GLU 71 Cb 0.62 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2png h GLU 71 CO 0.00 1.23 -0.08 -1.33 -0.73 0.00 0.00 179.01 178.10 2png n MET 72 N -3.53 0.96 -0.35 1.92 2.81 0.07 -4.20 117.12 114.80 2png n MET 72 Ca -0.22 -0.37 0.10 0.00 -1.81 0.00 0.00 57.70 55.40 2png n MET 72 Cb 1.06 -1.49 0.28 0.00 -0.71 0.00 0.00 33.22 32.36 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 0.90 0.80 -4.69 7.83 0.87 -1.07 -3.48 113.55 114.70 2png h SER 73 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2png h SER 73 Cb 0.34 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2png h SER 73 CO 0.00 0.34 -0.69 -1.20 -0.53 0.00 0.00 176.83 174.74 2png n SER 74 N -4.74 -6.71 0.10 6.23 7.64 -1.26 -4.87 113.62 110.01 2png n SER 74 Ca 0.21 0.97 0.06 0.00 1.01 0.00 0.00 58.87 61.12 2png n SER 74 Cb 0.48 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 2png n SER 74 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2png h LYS 75 N 2.20 0.00 -4.31 1.43 1.79 -1.92 -3.44 116.57 112.32 2png h LYS 75 Ca 0.00 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.74 2png h LYS 75 Cb 0.17 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.55 2png h LYS 75 CO 0.10 0.21 -0.39 0.00 -1.08 0.00 0.00 179.45 178.29 2png s ALA 76 N -3.10 3.41 -0.45 3.86 0.00 -1.26 -4.47 121.76 119.75 2png s ALA 76 Ca 0.01 -2.39 0.23 0.00 0.00 0.00 0.00 51.96 49.81 2png s ALA 76 Cb 0.08 -2.85 0.35 0.00 0.00 0.00 0.00 23.12 20.70 2png s ALA 76 CO 0.77 -1.83 1.56 0.78 0.00 0.00 0.00 175.76 177.04 2png h GLY 77 N 8.52 0.00 -5.53 0.00 0.00 -1.89 -3.44 103.07 100.72 2png h GLY 77 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 2png h GLY 77 CO 0.86 0.00 -0.24 -0.45 0.00 0.00 0.00 176.54 176.70 2png s SER 78 N -5.91 -0.59 -0.10 0.19 0.15 -1.26 -5.14 113.70 101.04 2png s SER 78 Ca 0.07 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.71 2png s SER 78 Cb 0.06 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.23 2png s SER 78 CO 0.68 -0.20 -0.04 1.51 1.20 0.00 0.00 173.24 176.39 2png s ASP 79 N 1.46 4.85 0.00 5.45 -4.77 -1.26 -4.99 116.67 117.41 2png s ASP 79 Ca -0.10 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.14 2png s ASP 79 Cb -0.08 -1.44 0.00 0.00 -1.09 0.00 0.00 42.92 40.31 2png s ASP 79 CO -0.14 0.31 0.00 1.07 0.70 0.00 0.00 175.17 177.11 2png n THR 80 N 2.61 0.00 -4.18 2.11 5.66 -1.26 -5.05 114.28 114.17 2png n THR 80 Ca -0.18 -0.27 -0.16 0.00 -3.05 0.00 0.00 64.05 60.39 2png n THR 80 Cb 0.53 0.86 -0.14 0.00 -1.55 0.00 0.00 70.33 70.03 2png n THR 80 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2png s GLU 81 N -0.82 0.51 0.14 1.09 2.56 -1.26 -5.03 118.70 115.90 2png s GLU 81 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 54.97 54.73 2png s GLU 81 Cb 0.00 -0.46 -0.12 0.00 2.00 0.00 0.00 34.13 35.56 2png s GLU 81 CO 0.00 0.12 1.18 1.25 -0.56 0.00 0.00 175.26 177.25 2png h LEU 82 N 5.64 0.00 -9.29 2.70 5.85 -2.05 -3.44 115.31 114.72 2png h LEU 82 Ca -0.30 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.86 2png h LEU 82 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2png h LEU 82 CO 0.48 0.79 0.85 0.00 -0.34 0.00 0.00 178.44 180.22 2png s ALA 83 N -2.80 3.59 -0.10 1.25 0.00 -1.26 -5.00 121.76 117.44 2png s ALA 83 Ca 0.01 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 2png s ALA 83 Cb 0.09 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2png s ALA 83 CO 0.80 -1.01 0.26 0.00 0.00 0.00 0.00 175.76 175.81 2png s ALA 84 N 2.85 -0.63 0.00 0.00 0.00 -1.26 -5.04 121.76 117.68 2png s ALA 84 Ca 0.61 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.38 2png s ALA 84 Cb -0.28 -0.51 -0.18 0.00 0.00 0.00 0.00 23.12 22.15 2png s ALA 84 CO 0.23 -0.15 2.75 -2.30 0.00 0.00 0.00 175.76 176.28 2png n PRO 85 N 3.41 1.45 -0.21 0.00 -0.02 -1.26 -4.53 135.00 133.84 2png n PRO 85 Ca -0.17 -0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 60.63 2png n PRO 85 Cb 0.56 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.37 2png n PRO 85 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2png h LYS 86 N 3.26 0.62 -3.24 -0.52 3.64 -1.99 -3.29 116.57 115.05 2png h LYS 86 Ca 0.12 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.84 2png h LYS 86 Cb 1.14 -0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 32.41 2png h LYS 86 CO 0.24 0.41 -0.66 -1.12 -2.27 0.00 0.00 179.45 176.05 2png s SER 87 N -5.57 4.16 0.28 4.20 0.01 -1.26 -4.77 113.70 110.75 2png s SER 87 Ca -0.13 -3.00 0.00 0.00 1.31 0.00 0.00 55.95 54.13 2png s SER 87 Cb 0.15 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.91 2png s SER 87 CO 0.75 -0.22 0.00 0.29 0.41 0.00 0.00 173.24 174.47 2png n LYS 88 N 3.10 0.00 0.00 12.44 4.76 -1.24 -5.19 118.16 132.03 2png n LYS 88 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2png n LYS 88 Cb 0.33 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.52 2png n LYS 88 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30