#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 5.80 -0.30 1.61 1.01 -1.26 -4.71 116.67 118.82 2png s ASP 2 Ca 0.00 -1.10 -0.11 0.00 0.71 0.00 0.00 52.55 52.06 2png s ASP 2 Cb 0.00 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.90 2png s ASP 2 CO 0.00 -0.44 0.41 0.61 0.21 0.00 0.00 175.17 175.96 2png n GLY 3 N 5.02 -1.12 0.14 0.21 0.00 -1.26 -4.86 105.19 103.32 2png n GLY 3 Ca -0.11 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 2png n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2png n GLU 4 N -0.39 0.59 -0.01 1.61 1.02 -1.26 -4.44 120.64 117.75 2png n GLU 4 Ca 0.08 0.28 -0.01 0.00 -0.02 0.00 0.00 57.16 57.50 2png n GLU 4 Cb 0.32 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2png n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2png h ALA 5 N -0.94 0.00 -2.83 0.62 0.00 -1.99 -3.44 119.26 110.68 2png h ALA 5 Ca -0.68 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 53.36 2png h ALA 5 Cb 1.60 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.32 2png h ALA 5 CO -0.40 0.08 -0.35 -1.14 0.00 0.00 0.00 179.25 177.43 2png s GLN 6 N -1.21 4.02 0.18 0.00 0.74 -1.26 -4.98 119.66 117.15 2png s GLN 6 Ca -0.02 -0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.30 2png s GLN 6 Cb 0.00 -3.63 -0.00 0.00 1.10 0.00 0.00 33.01 30.48 2png s GLN 6 CO 0.03 -0.19 0.04 2.89 -0.55 0.00 0.00 175.29 177.52 2png n ARG 7 N 5.05 1.01 -1.79 1.67 1.85 -1.26 -4.23 116.66 118.95 2png n ARG 7 Ca -0.11 -1.44 -0.43 0.00 -1.00 0.00 0.00 57.85 54.87 2png n ARG 7 Cb 0.51 0.66 -0.03 0.00 -1.05 0.00 0.00 32.46 32.55 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 -2.06 5.96 0.07 2.89 1.11 -1.26 -4.73 116.67 118.65 2png s ASP 8 Ca 0.06 1.93 0.12 0.00 0.18 0.00 0.00 52.55 54.84 2png s ASP 8 Cb 0.00 -2.52 0.52 0.00 1.07 0.00 0.00 42.92 41.99 2png s ASP 8 CO 0.04 -1.55 1.36 0.18 1.18 0.00 0.00 175.17 176.38 2png n LEU 9 N 9.79 0.15 -0.02 1.23 4.77 -1.11 -1.22 117.00 130.59 2png n LEU 9 Ca 0.24 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.65 2png n LEU 9 Cb 0.44 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2png n LEU 9 CO 0.66 -0.46 0.42 0.58 -1.33 0.00 0.00 177.39 177.26 2png h VAL 10 N 0.00 1.30 -0.13 4.08 2.07 -1.83 0.49 116.25 122.23 2png h VAL 10 Ca 0.00 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 2png h VAL 10 Cb 0.15 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2png h VAL 10 CO 0.00 0.58 0.00 0.29 0.02 0.00 0.00 177.57 178.46 2png n LYS 11 N -3.96 1.88 0.05 1.57 4.01 -0.36 -2.39 118.16 118.97 2png n LYS 11 Ca -0.04 -0.72 0.00 0.00 -0.51 0.00 0.00 58.31 57.04 2png n LYS 11 Cb 0.65 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 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 0.14 3.00 -0.03 7.82 0.00 -1.06 -4.75 120.51 125.64 2png n ALA 12 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2png n ALA 12 Cb 0.47 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 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 1.48 -0.01 0.00 2.07 -0.13 -2.29 116.25 117.37 2png h VAL 13 Ca 0.00 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 2png h VAL 13 Cb 0.00 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2png h VAL 13 CO 0.00 0.37 -0.32 0.00 0.02 0.00 0.00 177.57 177.65 2png h ALA 14 N 0.38 1.46 0.00 1.67 0.00 -1.54 -1.26 119.26 119.97 2png h ALA 14 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2png h ALA 14 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2png h ALA 14 CO 0.00 0.41 -0.16 1.25 0.00 0.00 0.00 179.25 180.75 2png h HIS 15 N 0.02 0.00 -0.26 0.00 6.17 -1.15 0.10 115.15 120.03 2png h HIS 15 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 60.37 60.95 2png h HIS 15 Cb 0.57 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 2png h HIS 15 CO 0.00 0.16 -0.40 0.82 0.71 0.00 0.00 177.93 179.22 2png h ILE 16 N 0.00 1.30 0.00 6.26 1.08 -0.65 -2.92 117.51 122.58 2png h ILE 16 Ca -0.00 -1.56 -0.16 0.00 -0.39 0.00 0.00 64.86 62.75 2png h ILE 16 Cb 0.51 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 2png h ILE 16 CO 0.02 0.50 -0.75 -0.07 -0.69 0.00 0.00 178.15 177.15 2png h LEU 17 N 0.50 0.00 0.00 1.44 3.38 -1.11 -3.47 115.31 116.05 2png h LEU 17 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2png h LEU 17 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2png h LEU 17 CO 0.08 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2png n GLY 18 N 0.66 1.36 3.71 0.83 0.00 -0.08 -5.11 105.19 106.56 2png n GLY 18 Ca -0.01 0.00 -0.25 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 -2.00 3.93 0.13 -0.61 -4.36 0.15 -4.96 121.20 113.49 2png s ILE 19 Ca 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 2png s ILE 19 Cb 0.00 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.68 2png s ILE 19 CO 0.00 -0.19 0.00 -1.14 0.24 0.00 0.00 174.94 173.85 2png n ARG 20 N -0.46 0.00 0.02 0.37 0.63 -1.26 -2.48 116.66 113.49 2png n ARG 20 Ca -0.09 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.70 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 0.23 -4.88 6.15 3.32 -1.97 -3.48 116.42 115.80 2png h ASP 21 Ca 0.00 -0.41 -0.37 0.00 0.02 0.00 0.00 57.03 56.28 2png h ASP 21 Cb 0.00 -0.08 0.10 0.00 0.22 0.00 0.00 39.33 39.57 2png h ASP 21 CO 0.00 1.35 -0.59 0.18 -1.72 0.00 0.00 179.24 178.46 2png n LEU 22 N -3.31 -3.00 0.00 1.55 7.99 -1.26 -4.87 117.00 114.09 2png n LEU 22 Ca -0.19 -0.40 0.13 0.00 -0.01 0.00 0.00 56.01 55.54 2png n LEU 22 Cb 1.04 -2.80 0.64 0.00 -0.11 0.00 0.00 43.42 42.19 2png n LEU 22 CO 0.47 0.44 0.94 0.00 -1.51 0.00 0.00 177.39 177.72 2png n ALA 23 N -4.22 2.29 -2.06 -1.18 0.00 -1.26 -3.03 120.51 111.05 2png n ALA 23 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2png n ALA 23 Cb 0.58 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.03 0.63 3.16 0.00 0.00 -1.26 -5.08 105.19 103.66 2png n GLY 24 Ca 0.11 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.08 0.16 -0.61 1.09 -1.17 -5.11 121.20 116.64 2png s ILE 25 Ca 0.04 -1.20 -0.31 0.00 -1.10 0.00 0.00 60.65 58.09 2png s ILE 25 Cb 0.05 -1.03 -0.09 0.00 -1.06 0.00 0.00 42.46 40.33 2png s ILE 25 CO -0.02 -0.16 1.42 0.20 -0.10 0.00 0.00 174.94 176.28 2png s ASN 26 N -1.54 6.76 0.00 3.58 -0.87 -1.26 -4.89 114.94 116.72 2png s ASN 26 Ca -0.01 2.45 0.23 0.00 -1.57 0.00 0.00 52.86 53.96 2png s ASN 26 Cb -0.09 -2.60 0.53 0.00 -0.02 0.00 0.00 41.25 39.07 2png s ASN 26 CO 0.02 -0.68 1.45 0.18 -2.57 0.00 0.00 177.10 175.50 2png n LEU 27 N 3.52 2.69 -0.90 0.60 4.77 -1.26 -3.68 117.00 122.74 2png n LEU 27 Ca 0.10 -1.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.09 2png n LEU 27 Cb 0.41 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.52 2png n LEU 27 CO 0.59 0.55 0.63 0.47 -1.33 0.00 0.00 177.39 178.30 2png n ASP 28 N 1.01 3.03 -4.72 -1.43 8.00 -1.26 -4.45 116.55 116.73 2png n ASP 28 Ca 0.17 -1.88 -0.41 0.00 0.71 0.00 0.00 54.79 53.38 2png n ASP 28 Cb 0.50 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.31 7.41 0.56 -2.24 0.01 -1.24 -4.94 113.70 111.94 2png s SER 29 Ca 0.30 1.69 -0.20 0.00 1.31 0.00 0.00 55.95 59.06 2png s SER 29 Cb 0.18 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 2png s SER 29 CO 0.25 -0.16 1.20 -0.44 0.41 0.00 0.00 173.24 174.50 2png s SER 30 N 0.53 5.44 0.52 2.44 0.01 -1.26 -3.55 113.70 117.82 2png s SER 30 Ca 0.49 2.37 0.21 0.00 1.31 0.00 0.00 55.95 60.32 2png s SER 30 Cb -0.22 -2.60 1.38 0.00 0.21 0.00 0.00 66.02 64.79 2png s SER 30 CO 0.28 -1.42 2.14 0.25 0.41 0.00 0.00 173.24 174.90 2png h LEU 31 N 1.16 0.00 -1.24 2.44 5.85 -1.14 0.15 115.31 122.53 2png h LEU 31 Ca -0.50 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 2png h LEU 31 Cb 1.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2png h LEU 31 CO 0.56 0.06 0.02 0.00 -0.34 0.00 0.00 178.44 178.74 2png h ALA 32 N 1.94 1.38 -0.00 1.25 0.00 -1.71 -2.35 119.26 119.77 2png h ALA 32 Ca -0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2png h ALA 32 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2png h ALA 32 CO 0.01 0.43 -0.85 -0.44 0.00 0.00 0.00 179.25 178.40 2png h ASP 33 N 0.52 0.26 -0.48 0.00 3.32 -1.28 -3.24 116.42 115.52 2png h ASP 33 Ca 0.11 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 2png h ASP 33 Cb 0.31 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2png h ASP 33 CO 0.01 0.99 0.09 -0.07 -1.72 0.00 0.00 179.24 178.54 2png h LEU 34 N 0.11 0.75 0.00 1.55 3.38 -1.14 -3.46 115.31 116.51 2png h LEU 34 Ca -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2png h LEU 34 Cb 1.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2png h LEU 34 CO 0.13 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.08 2png n GLY 35 N -0.54 -0.31 3.57 0.83 0.00 -1.04 -5.08 105.19 102.62 2png n GLY 35 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2png n GLY 35 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2png n LEU 36 N 0.00 2.64 -0.11 0.99 7.94 -0.92 -4.75 117.00 122.80 2png n LEU 36 Ca 0.00 -0.21 -0.24 0.00 -1.11 0.00 0.00 56.01 54.45 2png n LEU 36 Cb 0.00 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.28 2png n LEU 36 CO 0.00 -1.21 -0.87 -0.90 -1.11 0.00 0.00 177.39 173.31 2png n ASP 37 N 14.12 1.92 0.00 1.96 5.75 -1.26 -4.76 116.55 134.28 2png n ASP 37 Ca 0.35 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.48 2png n ASP 37 Cb 0.49 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2png n ASP 37 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2png n SER 38 N -4.24 0.00 -0.13 -1.12 2.88 -1.26 -4.97 113.62 104.79 2png n SER 38 Ca -0.40 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.12 2png n SER 38 Cb 0.79 0.18 0.20 0.00 -0.75 0.00 0.00 64.21 64.63 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 0.77 -1.04 2.46 5.85 -1.93 0.11 115.31 121.53 2png h LEU 39 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2png h LEU 39 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2png h LEU 39 CO 0.00 0.75 0.00 0.23 -0.34 0.00 0.00 178.44 179.08 2png n MET 40 N -4.28 0.83 0.00 1.25 2.81 -1.26 -0.72 117.12 115.75 2png n MET 40 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2png n MET 40 Cb 0.22 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.10 0.00 0.12 3.03 0.00 -0.43 -4.72 105.19 103.29 2png n GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.38 -0.01 1.61 2.07 -0.45 -1.67 116.25 119.18 2png h VAL 42 Ca 0.00 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.05 2png h VAL 42 Cb 0.17 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2png h VAL 42 CO 0.00 0.40 -0.31 -0.08 0.02 0.00 0.00 177.57 177.60 2png h GLU 43 N -0.11 0.03 -0.09 1.57 4.81 -1.16 0.31 114.58 119.92 2png h GLU 43 Ca 0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2png h GLU 43 Cb 0.73 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2png h GLU 43 CO 0.04 0.34 0.04 0.28 -0.73 0.00 0.00 179.01 178.98 2png h VAL 44 N 0.02 1.12 0.00 0.32 2.07 -1.70 -2.01 116.25 116.07 2png h VAL 44 Ca 0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2png h VAL 44 Cb 0.57 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2png h VAL 44 CO 0.04 0.10 -0.02 0.03 0.02 0.00 0.00 177.57 177.74 2png h ARG 45 N 0.03 0.00 -0.19 1.57 3.08 -0.28 0.24 114.38 118.82 2png h ARG 45 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2png h ARG 45 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2png h ARG 45 CO -0.00 0.02 -0.20 1.96 -1.07 0.00 0.00 179.97 180.67 2png h GLN 46 N 0.00 0.48 -0.19 0.04 4.20 -0.45 0.42 115.11 119.60 2png h GLN 46 Ca -0.00 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 2png h GLN 46 Cb 0.39 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2png h GLN 46 CO 0.00 0.83 -0.30 0.82 -0.67 0.00 0.00 178.83 179.51 2png h ILE 47 N 0.14 1.27 0.00 2.54 2.04 -0.56 -1.89 117.51 121.05 2png h ILE 47 Ca 0.03 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.57 2png h ILE 47 Cb 0.75 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2png h ILE 47 CO 0.05 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.79 2png n LEU 48 N -4.10 0.25 0.21 1.44 4.77 0.73 -3.41 117.00 116.88 2png n LEU 48 Ca -0.01 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.55 2png n LEU 48 Cb 0.42 -0.45 0.44 0.00 -2.33 0.00 0.00 43.42 41.50 2png n LEU 48 CO 0.42 -0.45 0.77 -0.33 -1.33 0.00 0.00 177.39 176.47 2png h GLU 49 N 0.00 0.00 0.00 3.23 5.08 0.04 -0.64 114.58 122.29 2png h GLU 49 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2png h GLU 49 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2png h GLU 49 CO 0.00 0.31 -0.64 -0.09 -1.00 0.00 0.00 179.01 177.59 2png h ARG 50 N 0.00 0.00 0.28 2.33 2.43 -1.41 -3.17 114.38 114.83 2png h ARG 50 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2png h ARG 50 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2png h ARG 50 CO 0.04 0.40 -0.13 0.93 -1.51 0.00 0.00 179.97 179.69 2png h GLU 51 N -1.00 -0.36 -0.02 0.20 4.39 -1.57 -3.34 114.58 112.89 2png h GLU 51 Ca -0.11 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2png h GLU 51 Cb 0.73 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2png h GLU 51 CO -0.07 -0.08 0.00 1.58 -1.16 0.00 0.00 179.01 179.28 2png n HIS 52 N -5.15 0.03 -3.26 4.33 -0.00 -1.05 -4.93 115.22 105.20 2png n HIS 52 Ca -0.10 -0.25 -0.14 0.00 0.46 0.00 0.00 57.72 57.70 2png n HIS 52 Cb 0.24 -0.02 0.01 0.00 -0.12 0.00 0.00 29.99 30.09 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2png n ASP 53 N -0.15 -6.78 -3.82 0.26 2.03 -0.39 -4.97 116.55 102.73 2png n ASP 53 Ca 0.01 -0.16 -0.29 0.00 0.52 0.00 0.00 54.79 54.87 2png n ASP 53 Cb 0.15 -3.91 -0.16 0.00 -0.72 0.00 0.00 41.12 36.49 2png n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2png s LEU 54 N -3.68 1.87 -0.96 -2.67 2.96 -0.41 -4.88 118.68 110.92 2png s LEU 54 Ca 0.12 -1.04 -0.18 0.00 -0.22 0.00 0.00 54.13 52.81 2png s LEU 54 Cb -0.02 -0.87 0.13 0.00 0.50 0.00 0.00 46.19 45.93 2png s LEU 54 CO 0.81 -0.28 1.17 -0.69 -1.32 0.00 0.00 176.35 176.03 2png s VAL 55 N 1.64 4.72 -0.36 1.68 1.01 -1.26 -2.72 120.40 125.11 2png s VAL 55 Ca -0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 2png s VAL 55 Cb -0.18 -4.80 0.07 0.00 0.00 0.00 0.00 36.38 31.47 2png s VAL 55 CO -0.08 -1.54 0.12 -0.76 0.00 0.00 0.00 175.10 172.84 2png s LEU 56 N 2.69 4.62 1.08 3.92 1.43 -1.26 -5.11 118.68 126.05 2png s LEU 56 Ca 0.34 -1.57 -0.16 0.00 -1.03 0.00 0.00 54.13 51.71 2png s LEU 56 Cb -0.04 -1.81 0.23 0.00 0.03 0.00 0.00 46.19 44.59 2png s LEU 56 CO -0.09 -0.41 1.15 -2.84 0.23 0.00 0.00 176.35 174.39 2png s PRO 57 N 1.25 -0.21 0.42 1.29 0.02 -1.26 -4.68 135.00 131.84 2png s PRO 57 Ca 0.01 0.03 0.18 0.00 0.02 0.00 0.00 61.00 61.24 2png s PRO 57 Cb -0.21 -1.71 0.95 0.00 0.02 0.00 0.00 34.50 33.55 2png s PRO 57 CO -0.01 -3.06 1.90 0.82 -0.33 0.00 0.00 177.00 176.32 2png h ILE 58 N -2.11 0.98 0.00 2.83 5.03 -1.96 0.27 117.51 122.54 2png h ILE 58 Ca -0.47 -1.04 0.00 0.00 -0.12 0.00 0.00 64.86 63.23 2png h ILE 58 Cb 1.30 1.60 0.00 0.00 -3.03 0.00 0.00 36.82 36.68 2png h ILE 58 CO 0.44 0.27 0.00 0.54 -0.68 0.00 0.00 178.15 178.72 2png n ARG 59 N -3.89 0.06 -0.01 2.37 3.00 -1.26 -0.38 116.66 116.56 2png n ARG 59 Ca -0.02 0.29 -0.04 0.00 -0.01 0.00 0.00 57.85 58.07 2png n ARG 59 Cb 0.36 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.30 2png n ARG 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2png n GLU 60 N -1.38 0.17 -0.04 5.56 4.07 -0.08 -4.80 120.64 124.14 2png n GLU 60 Ca 0.03 0.07 0.03 0.00 -0.06 0.00 0.00 57.16 57.23 2png n GLU 60 Cb 0.07 -0.79 0.39 0.00 -0.06 0.00 0.00 31.44 31.05 2png n GLU 60 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2png h VAL 61 N -0.30 1.12 0.00 6.31 2.07 -0.37 -2.40 116.25 122.68 2png h VAL 61 Ca -0.06 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2png h VAL 61 Cb 0.54 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2png h VAL 61 CO -0.03 0.12 0.00 -0.09 0.02 0.00 0.00 177.57 177.58 2png h ARG 62 N 0.64 0.00 -0.33 1.57 2.43 -0.93 -0.64 114.38 117.12 2png h ARG 62 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2png h ARG 62 Cb -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2png h ARG 62 CO -0.04 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.46 2png n GLN 63 N -2.54 2.61 -2.37 0.20 3.00 -0.91 -1.98 117.38 115.40 2png n GLN 63 Ca 0.00 -1.99 -0.43 0.00 -0.01 0.00 0.00 57.00 54.58 2png n GLN 63 Cb 0.19 -1.28 -0.02 0.00 0.00 0.00 0.00 30.24 29.13 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 3.98 -1.20 1.08 1.43 -0.25 -4.67 118.68 118.05 2png s LEU 64 Ca 0.24 1.42 -0.18 0.00 -1.03 0.00 0.00 54.13 54.58 2png s LEU 64 Cb 0.13 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.90 2png s LEU 64 CO 0.17 -1.01 1.57 0.42 0.23 0.00 0.00 176.35 177.73 2png s THR 65 N 4.24 4.31 0.00 5.49 -4.23 -1.26 -2.61 115.64 121.57 2png s THR 65 Ca 0.58 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 2png s THR 65 Cb -0.20 -5.08 0.00 0.00 1.34 0.00 0.00 72.50 68.56 2png s THR 65 CO 0.22 -1.89 0.00 -0.11 -0.54 0.00 0.00 174.62 172.30 2png n LEU 66 N 7.81 0.00 0.22 4.79 -0.00 -1.23 -0.93 117.00 127.67 2png n LEU 66 Ca 0.41 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.58 2png n LEU 66 Cb 0.47 0.00 0.65 0.00 -0.00 0.00 0.00 43.42 44.54 2png n LEU 66 CO 0.70 0.00 0.95 0.03 -0.00 0.00 0.00 177.39 179.07 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.89 0.25 114.38 117.17 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 0.00 -0.02 -0.22 0.56 0.00 0.00 179.97 180.29 2png h LYS 68 N 0.00 0.00 0.00 0.04 3.64 -1.35 -0.30 116.57 118.60 2png h LYS 68 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2png h LYS 68 Cb 0.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2png h LYS 68 CO 0.00 0.02 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.03 2png h LEU 69 N 0.00 0.00 -3.25 5.20 -0.00 -1.17 -0.11 115.31 115.98 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 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2png h LEU 69 CO 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 178.44 178.54 2png n GLN 70 N -3.85 3.71 -0.08 1.13 10.64 -0.15 -2.74 117.38 126.03 2png n GLN 70 Ca -0.02 -2.85 -0.12 0.00 -1.83 0.00 0.00 57.00 52.18 2png n GLN 70 Cb 0.19 -1.90 -0.08 0.00 -0.86 0.00 0.00 30.24 27.59 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 0.50 0.49 -0.35 2.61 2.13 -0.52 -4.45 120.64 121.04 2png n GLU 71 Ca 0.23 0.09 0.12 0.00 0.66 0.00 0.00 57.16 58.27 2png n GLU 71 Cb 0.91 -1.34 0.31 0.00 0.27 0.00 0.00 31.44 31.59 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2png n MET 72 N -2.98 2.66 -0.18 5.31 2.81 -0.17 -4.41 117.12 120.17 2png n MET 72 Ca -0.30 -2.58 0.02 0.00 -1.81 0.00 0.00 57.70 53.03 2png n MET 72 Cb 0.83 -1.56 0.29 0.00 -0.71 0.00 0.00 33.22 32.07 2png n MET 72 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2png h SER 73 N 4.27 0.77 -4.92 7.83 4.64 -1.73 -3.48 113.55 120.93 2png h SER 73 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2png h SER 73 Cb 0.97 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2png h SER 73 CO 0.00 0.55 -0.09 -1.20 -0.87 0.00 0.00 176.83 175.22 2png n SER 74 N -4.44 -6.78 -0.26 4.97 7.64 -1.26 -4.59 113.62 108.89 2png n SER 74 Ca 0.08 0.05 -0.05 0.00 1.01 0.00 0.00 58.87 59.95 2png n SER 74 Cb 0.07 -4.55 0.08 0.00 -1.01 0.00 0.00 64.21 58.80 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 0.65 1.14 -3.31 1.43 1.79 -1.92 -3.45 116.57 112.90 2png h LYS 75 Ca 0.00 -0.22 -0.10 0.00 -2.18 0.00 0.00 60.65 58.16 2png h LYS 75 Cb 0.96 -0.18 -0.17 0.00 -1.58 0.00 0.00 32.23 31.26 2png h LYS 75 CO 0.23 0.94 -0.26 0.00 -1.08 0.00 0.00 179.45 179.28 2png s ALA 76 N -5.47 -0.66 0.04 3.86 0.00 -1.26 -4.95 121.76 113.32 2png s ALA 76 Ca -0.12 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 2png s ALA 76 Cb 0.16 0.31 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 2png s ALA 76 CO 0.84 -0.40 1.79 0.20 0.00 0.00 0.00 175.76 178.19 2png s GLY 77 N -2.04 1.48 -0.12 0.00 0.00 -1.26 -4.89 107.32 100.48 2png s GLY 77 Ca -0.05 1.23 -0.34 0.00 0.00 0.00 0.00 44.72 45.56 2png s GLY 77 CO -0.03 3.17 1.93 1.44 0.00 0.00 0.00 173.10 179.62 2png n SER 78 N 6.65 3.33 -4.78 1.64 7.64 -1.26 -4.94 113.62 121.90 2png n SER 78 Ca 0.18 0.87 -0.37 0.00 1.01 0.00 0.00 58.87 60.56 2png n SER 78 Cb 0.41 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 2png n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2png s ASP 79 N 4.66 7.29 -0.22 6.43 2.15 -1.26 -5.00 116.67 130.72 2png s ASP 79 Ca 0.95 1.85 -0.18 0.00 0.43 0.00 0.00 52.55 55.59 2png s ASP 79 Cb -0.68 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.20 2png s ASP 79 CO 0.51 -0.11 0.01 0.41 -0.17 0.00 0.00 175.17 175.82 2png n THR 80 N 0.49 1.52 0.10 1.71 -1.04 -1.26 -4.96 114.28 110.84 2png n THR 80 Ca 0.02 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2png n THR 80 Cb 0.50 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 2png n THR 80 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2png n GLU 81 N -4.40 0.00 -3.75 -2.82 4.07 -1.26 -5.12 120.64 107.36 2png n GLU 81 Ca -0.35 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.61 2png n GLU 81 Cb 0.69 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.98 2png n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2png s LEU 82 N -6.30 0.71 -0.87 4.31 1.43 -1.26 -5.08 118.68 111.62 2png s LEU 82 Ca 0.00 0.37 -0.25 0.00 -1.03 0.00 0.00 54.13 53.23 2png s LEU 82 Cb 0.00 1.29 0.00 0.00 0.03 0.00 0.00 46.19 47.52 2png s LEU 82 CO 0.00 -0.32 1.64 0.00 0.23 0.00 0.00 176.35 177.91 2png s ALA 83 N -0.68 2.30 -0.22 4.21 0.00 -1.26 -4.94 121.76 121.17 2png s ALA 83 Ca -0.08 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 49.98 2png s ALA 83 Cb -0.04 -4.46 -0.02 0.00 0.00 0.00 0.00 23.12 18.60 2png s ALA 83 CO 0.03 -3.99 1.56 0.00 0.00 0.00 0.00 175.76 173.36 2png s ALA 84 N 7.38 3.31 -0.58 0.00 0.00 -1.26 -4.87 121.76 125.75 2png s ALA 84 Ca 0.55 0.44 -0.37 0.00 0.00 0.00 0.00 51.96 52.58 2png s ALA 84 Cb -0.06 -3.83 -0.17 0.00 0.00 0.00 0.00 23.12 19.07 2png s ALA 84 CO 0.02 -1.87 2.31 -0.35 0.00 0.00 0.00 175.76 175.87 2png n PRO 85 N 7.55 0.38 -0.04 0.00 -0.04 -1.26 -4.80 135.00 136.80 2png n PRO 85 Ca 0.18 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.51 2png n PRO 85 Cb 0.45 -1.92 -0.13 0.00 -0.04 0.00 0.00 33.50 31.86 2png n PRO 85 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2png h LYS 86 N 11.51 0.15 -4.72 0.54 1.57 -2.02 -3.42 116.57 120.17 2png h LYS 86 Ca -0.15 -0.25 -0.68 0.00 -1.87 0.00 0.00 60.65 57.70 2png h LYS 86 Cb 1.35 0.09 -0.36 0.00 0.08 0.00 0.00 32.23 33.40 2png h LYS 86 CO 1.15 1.12 -0.70 -1.12 -0.57 0.00 0.00 179.45 179.33 2png s SER 87 N -6.93 4.84 0.03 0.86 0.01 -1.26 -4.99 113.70 106.25 2png s SER 87 Ca -0.24 -1.63 -0.24 0.00 1.31 0.00 0.00 55.95 55.16 2png s SER 87 Cb 0.05 -1.68 -0.13 0.00 0.21 0.00 0.00 66.02 64.47 2png s SER 87 CO 0.70 -0.32 1.23 0.11 0.41 0.00 0.00 173.24 175.37 2png h LYS 88 N 7.88 -0.82 0.00 12.44 1.57 -1.99 -3.54 116.57 132.11 2png h LYS 88 Ca -0.16 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2png h LYS 88 Cb 1.05 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2png h LYS 88 CO 0.54 -0.55 0.00 0.09 -0.57 0.00 0.00 179.45 178.97