#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 0.47 -0.03 1.61 8.00 -1.26 -4.88 116.55 120.46 2png n ASP 2 Ca 0.00 0.07 -0.02 0.00 0.71 0.00 0.00 54.79 55.55 2png n ASP 2 Cb 0.00 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 2.55 -0.71 3.48 0.44 0.00 -1.26 -4.75 105.19 104.95 2png n GLY 3 Ca -0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.57 3.18 0.00 1.61 8.01 -1.26 -3.90 118.70 124.77 2png s GLU 4 Ca -0.07 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 54.18 2png s GLU 4 Cb 0.01 -4.29 0.00 0.00 -4.31 0.00 0.00 34.13 25.53 2png s GLU 4 CO 0.10 -1.92 0.00 0.00 0.01 0.00 0.00 175.26 173.45 2png n ALA 5 N 8.15 0.00 -2.86 5.21 0.00 -1.26 -4.82 120.51 124.94 2png n ALA 5 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 2png n ALA 5 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.32 3.15 0.37 0.00 0.74 -1.25 -5.10 119.66 116.24 2png s GLN 6 Ca 0.00 -0.68 0.07 0.00 0.05 0.00 0.00 55.36 54.80 2png s GLN 6 Cb 0.00 -2.82 -0.07 0.00 1.10 0.00 0.00 33.01 31.22 2png s GLN 6 CO 0.00 0.53 -0.02 -0.98 -0.55 0.00 0.00 175.29 174.28 2png s ARG 7 N -2.90 1.83 0.30 1.67 1.70 -1.26 -5.05 118.95 115.24 2png s ARG 7 Ca 0.32 -2.00 -0.12 0.00 -0.47 0.00 0.00 55.73 53.46 2png s ARG 7 Cb -0.11 -1.48 -0.08 0.00 -0.57 0.00 0.00 34.95 32.70 2png s ARG 7 CO 0.25 -0.02 0.67 -0.51 -1.08 0.00 0.00 175.30 174.62 2png s ASP 8 N -3.62 6.69 0.60 -2.89 1.01 -1.26 -4.96 116.67 112.24 2png s ASP 8 Ca 0.34 1.13 0.34 0.00 0.71 0.00 0.00 52.55 55.07 2png s ASP 8 Cb 0.07 -2.31 1.95 0.00 1.01 0.00 0.00 42.92 43.65 2png s ASP 8 CO 0.17 -0.18 2.26 -0.07 0.21 0.00 0.00 175.17 177.56 2png h LEU 9 N 2.24 0.00 -0.96 1.23 3.38 -1.86 0.16 115.31 119.49 2png h LEU 9 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2png h LEU 9 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2png h LEU 9 CO 0.66 0.02 0.00 0.58 0.09 0.00 0.00 178.44 179.79 2png h VAL 10 N 0.00 0.00 -0.34 1.22 2.07 -1.85 0.47 116.25 117.82 2png h VAL 10 Ca -0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2png h VAL 10 Cb 0.06 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2png h VAL 10 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2png n LYS 11 N -2.83 2.00 0.02 1.57 4.01 0.56 -3.80 118.16 119.69 2png n LYS 11 Ca 0.02 -1.53 0.00 0.00 -0.51 0.00 0.00 58.31 56.29 2png n LYS 11 Cb 0.33 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 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 0.74 3.00 -0.24 7.82 0.00 -0.74 -4.84 120.51 126.26 2png n ALA 12 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2png n ALA 12 Cb 0.39 0.01 0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 1.03 0.00 0.00 2.07 -0.32 -0.63 116.25 118.40 2png h VAL 13 Ca 0.00 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2png h VAL 13 Cb 0.00 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2png h VAL 13 CO 0.00 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 2png h ALA 14 N 1.32 1.23 0.00 1.67 0.00 -1.65 -1.20 119.26 120.63 2png h ALA 14 Ca 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2png h ALA 14 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2png h ALA 14 CO -0.15 0.09 -0.13 0.45 0.00 0.00 0.00 179.25 179.51 2png h HIS 15 N 0.00 0.00 0.00 0.00 3.86 -1.00 0.22 115.15 118.23 2png h HIS 15 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 2png h HIS 15 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2png h HIS 15 CO 0.00 0.13 -0.37 0.82 0.86 0.00 0.00 177.93 179.37 2png h ILE 16 N 0.00 1.13 -0.00 2.45 1.08 -1.29 -2.37 117.51 118.50 2png h ILE 16 Ca -0.00 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 2png h ILE 16 Cb 0.44 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 2png h ILE 16 CO 0.02 0.37 -0.75 0.18 -0.69 0.00 0.00 178.15 177.27 2png n LEU 17 N -3.89 1.07 -0.02 1.44 4.77 -0.54 -4.95 117.00 114.89 2png n LEU 17 Ca -0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2png n LEU 17 Cb 0.43 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2png n LEU 17 CO 0.38 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2png n GLY 18 N 1.47 0.77 3.48 -0.72 0.00 -0.41 -5.06 105.19 104.73 2png n GLY 18 Ca 0.06 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.04 0.59 0.00 -0.61 -4.36 0.64 -4.95 121.20 110.46 2png s ILE 19 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2png s ILE 19 Cb 0.00 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2png s ILE 19 CO 0.00 0.00 0.00 -1.14 0.24 0.00 0.00 174.94 174.04 2png n ARG 20 N -0.85 0.00 0.04 0.37 0.63 -1.26 -2.98 116.66 112.61 2png n ARG 20 Ca -0.04 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.76 2png n ARG 20 Cb 0.65 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.47 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 -0.09 -1.11 6.15 2.03 -1.92 -3.48 116.42 118.01 2png h ASP 21 Ca 0.00 -0.30 -0.24 0.00 -0.73 0.00 0.00 57.03 55.76 2png h ASP 21 Cb 0.00 0.02 -0.06 0.00 -0.83 0.00 0.00 39.33 38.47 2png h ASP 21 CO 0.00 0.26 -0.26 0.18 -1.03 0.00 0.00 179.24 178.39 2png n LEU 22 N -4.98 -1.19 0.00 0.15 7.99 -1.26 -4.89 117.00 112.82 2png n LEU 22 Ca -0.08 0.15 0.11 0.00 -0.01 0.00 0.00 56.01 56.17 2png n LEU 22 Cb 0.20 -1.88 0.51 0.00 -0.11 0.00 0.00 43.42 42.15 2png n LEU 22 CO 0.33 -0.39 0.85 0.00 -1.51 0.00 0.00 177.39 176.66 2png n ALA 23 N -0.10 2.07 -2.67 -1.18 0.00 -1.26 -3.31 120.51 114.06 2png n ALA 23 Ca -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 2png n ALA 23 Cb 0.49 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 0.62 1.91 3.28 0.00 0.00 -1.26 -5.11 105.19 104.63 2png n GLY 24 Ca 0.08 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.65 1.60 0.21 -0.61 -1.09 -1.21 -5.12 121.20 114.33 2png s ILE 25 Ca 0.12 -1.70 -0.29 0.00 -2.23 0.00 0.00 60.65 56.55 2png s ILE 25 Cb 0.40 -1.61 -0.08 0.00 -1.58 0.00 0.00 42.46 39.58 2png s ILE 25 CO -0.11 -0.26 0.92 0.20 -1.23 0.00 0.00 174.94 174.46 2png s ASN 26 N -2.31 7.59 0.00 3.58 0.01 -1.26 -4.94 114.94 117.62 2png s ASN 26 Ca 0.10 1.89 0.16 0.00 -0.71 0.00 0.00 52.86 54.29 2png s ASN 26 Cb -0.07 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.94 2png s ASN 26 CO 0.05 0.14 0.79 0.18 -1.51 0.00 0.00 177.10 176.75 2png n LEU 27 N 1.65 1.33 0.03 0.60 4.77 -1.26 -4.39 117.00 119.73 2png n LEU 27 Ca -0.02 -0.68 0.11 0.00 -0.03 0.00 0.00 56.01 55.39 2png n LEU 27 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2png n LEU 27 CO 0.50 0.27 -0.49 -0.67 -1.33 0.00 0.00 177.39 175.66 2png n ASP 28 N -0.53 0.30 -4.78 -1.43 2.03 -1.26 -4.56 116.55 106.32 2png n ASP 28 Ca 0.05 0.12 -0.37 0.00 0.52 0.00 0.00 54.79 55.11 2png n ASP 28 Cb 0.31 1.43 -0.05 0.00 -0.72 0.00 0.00 41.12 42.09 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2png s SER 29 N -4.84 7.01 0.58 1.67 0.01 -1.26 -5.00 113.70 111.87 2png s SER 29 Ca -0.05 1.95 -0.19 0.00 1.31 0.00 0.00 55.95 58.97 2png s SER 29 Cb 0.12 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2png s SER 29 CO 0.87 -0.31 1.19 -0.44 0.41 0.00 0.00 173.24 174.95 2png s SER 30 N -1.59 5.31 0.57 2.44 0.01 -1.26 -4.40 113.70 114.79 2png s SER 30 Ca 0.55 2.34 0.27 0.00 1.31 0.00 0.00 55.95 60.41 2png s SER 30 Cb -0.20 -2.59 1.66 0.00 0.21 0.00 0.00 66.02 65.09 2png s SER 30 CO 0.26 -1.51 2.19 0.25 0.41 0.00 0.00 173.24 174.84 2png h LEU 31 N 0.95 0.00 -0.94 2.44 5.85 0.75 0.16 115.31 124.53 2png h LEU 31 Ca -0.50 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 2png h LEU 31 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2png h LEU 31 CO 0.55 0.00 -0.45 0.00 -0.34 0.00 0.00 178.44 178.20 2png h ALA 32 N 1.93 1.10 0.00 1.25 0.00 -1.67 0.59 119.26 122.47 2png h ALA 32 Ca 0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2png h ALA 32 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2png h ALA 32 CO -0.00 0.61 -0.81 0.22 0.00 0.00 0.00 179.25 179.26 2png h ASP 33 N 0.14 0.00 -0.11 0.00 3.58 -0.99 -3.21 116.42 115.83 2png h ASP 33 Ca 0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 2png h ASP 33 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2png h ASP 33 CO 0.07 0.81 -0.36 -0.07 -2.88 0.00 0.00 179.24 176.81 2png h LEU 34 N 0.00 0.50 0.00 2.28 3.38 -1.12 -3.47 115.31 116.89 2png h LEU 34 Ca -0.01 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2png h LEU 34 Cb 1.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2png h LEU 34 CO 0.11 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.27 2png n GLY 35 N 0.60 0.00 3.54 0.83 0.00 -0.49 -5.09 105.19 104.58 2png n GLY 35 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.65 -0.09 0.99 2.96 0.08 -4.68 118.68 121.59 2png s LEU 36 Ca 0.00 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2png s LEU 36 Cb 0.00 -2.84 -0.08 0.00 0.50 0.00 0.00 46.19 43.77 2png s LEU 36 CO 0.00 -1.50 -0.04 -0.90 -1.32 0.00 0.00 176.35 172.59 2png n ASP 37 N 8.35 3.20 0.00 3.68 5.75 -1.26 -4.23 116.55 132.04 2png n ASP 37 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2png n ASP 37 Cb 0.48 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2png n SER 38 N -2.57 -0.04 -0.31 -1.12 3.41 -1.26 -4.98 113.62 106.76 2png n SER 38 Ca -0.15 0.01 0.09 0.00 -0.26 0.00 0.00 58.87 58.56 2png n SER 38 Cb 0.71 0.37 0.25 0.00 -0.26 0.00 0.00 64.21 65.28 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 0.59 -0.93 1.04 5.85 -1.96 -0.93 115.31 118.97 2png h LEU 39 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2png h LEU 39 Cb 0.00 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2png h LEU 39 CO 0.00 0.23 0.60 0.24 -0.34 0.00 0.00 178.44 179.18 2png h MET 40 N 0.65 1.14 -0.09 1.25 2.86 -1.94 0.18 114.93 118.99 2png h MET 40 Ca 0.50 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.94 2png h MET 40 Cb 0.72 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2png h MET 40 CO -0.37 0.76 -0.49 0.78 1.06 0.00 0.00 176.91 178.64 2png h GLY 41 N 1.18 0.26 0.65 8.32 0.00 -1.56 0.58 103.07 112.50 2png h GLY 41 Ca 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 2png h GLY 41 CO -0.12 0.25 -0.00 -2.08 0.00 0.00 0.00 176.54 174.59 2png h VAL 42 N 0.19 1.28 -0.78 4.60 2.07 -0.94 -0.18 116.25 122.49 2png h VAL 42 Ca 0.01 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.72 2png h VAL 42 Cb 0.94 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 2png h VAL 42 CO 0.08 0.22 0.50 -0.08 0.02 0.00 0.00 177.57 178.31 2png h GLU 43 N -0.34 0.95 -0.26 1.57 4.57 -0.37 -1.05 114.58 119.66 2png h GLU 43 Ca 0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2png h GLU 43 Cb 0.36 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2png h GLU 43 CO 0.00 0.63 0.08 0.28 -1.18 0.00 0.00 179.01 178.82 2png h VAL 44 N 0.98 1.19 -0.70 0.32 2.07 -0.80 -2.97 116.25 116.34 2png h VAL 44 Ca 0.31 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2png h VAL 44 Cb 0.01 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2png h VAL 44 CO -0.11 0.20 0.45 0.03 0.02 0.00 0.00 177.57 178.16 2png h ARG 45 N 0.26 0.87 0.00 1.57 3.08 -0.42 -0.25 114.38 119.48 2png h ARG 45 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2png h ARG 45 Cb 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2png h ARG 45 CO -0.00 0.57 0.00 1.04 -1.07 0.00 0.00 179.97 180.51 2png n GLN 46 N -4.64 0.10 -0.01 0.04 6.02 -0.45 -0.25 117.38 118.19 2png n GLN 46 Ca 0.07 0.44 -0.01 0.00 -0.01 0.00 0.00 57.00 57.49 2png n GLN 46 Cb 0.06 -1.74 -0.00 0.00 1.02 0.00 0.00 30.24 29.58 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2png n ILE 47 N -1.94 0.26 -0.28 5.09 5.41 -0.36 -4.20 119.36 123.33 2png n ILE 47 Ca 0.01 0.45 -0.05 0.00 1.00 0.00 0.00 62.75 64.16 2png n ILE 47 Cb 0.13 -1.66 0.06 0.00 -0.71 0.00 0.00 39.64 37.47 2png n ILE 47 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2png h LEU 48 N -0.18 0.95 -1.32 1.39 -0.00 -0.94 0.33 115.31 115.54 2png h LEU 48 Ca 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.76 2png h LEU 48 Cb 0.10 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2png h LEU 48 CO 0.00 0.76 -0.17 -0.08 -0.00 0.00 0.00 178.44 178.96 2png h GLU 49 N 1.07 0.00 0.01 1.13 4.81 0.19 0.44 114.58 122.23 2png h GLU 49 Ca 0.27 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.13 2png h GLU 49 Cb 0.01 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2png h GLU 49 CO -0.05 0.17 -2.36 -2.13 -0.73 0.00 0.00 179.01 173.91 2png n ARG 50 N -3.38 0.67 -0.04 1.92 0.63 -0.74 -3.51 116.66 112.22 2png n ARG 50 Ca -0.00 0.12 -0.21 0.00 -0.92 0.00 0.00 57.85 56.83 2png n ARG 50 Cb 0.37 -1.55 -0.13 0.00 0.45 0.00 0.00 32.46 31.60 2png n ARG 50 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2png h GLU 51 N 0.01 0.13 -0.04 -0.14 5.08 -0.34 -3.40 114.58 115.87 2png h GLU 51 Ca -0.54 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2png h GLU 51 Cb 2.04 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2png h GLU 51 CO -0.02 1.11 0.00 1.58 -1.00 0.00 0.00 179.01 180.68 2png n HIS 52 N -4.06 0.06 -1.45 4.33 -0.00 -0.45 -4.95 115.22 108.70 2png n HIS 52 Ca -0.29 -0.41 -0.15 0.00 0.46 0.00 0.00 57.72 57.32 2png n HIS 52 Cb 0.83 -0.04 -0.07 0.00 -0.12 0.00 0.00 29.99 30.59 2png n HIS 52 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2png n ASP 53 N -0.27 -5.01 -4.56 0.26 8.00 -0.67 -4.94 116.55 109.35 2png n ASP 53 Ca 0.02 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 2png n ASP 53 Cb 0.23 -3.87 -0.06 0.00 -0.02 0.00 0.00 41.12 37.40 2png n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2png s LEU 54 N -3.52 4.22 -0.54 0.64 2.96 0.02 -4.81 118.68 117.64 2png s LEU 54 Ca 0.00 0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 53.80 2png s LEU 54 Cb 0.00 -2.94 0.05 0.00 0.50 0.00 0.00 46.19 43.80 2png s LEU 54 CO 0.00 -0.77 0.82 -0.69 -1.32 0.00 0.00 176.35 174.39 2png s VAL 55 N 3.07 4.57 -0.34 1.68 1.01 -1.26 -1.80 120.40 127.33 2png s VAL 55 Ca 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2png s VAL 55 Cb -0.13 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.88 2png s VAL 55 CO 0.19 -1.02 0.06 -0.76 0.00 0.00 0.00 175.10 173.56 2png s LEU 56 N 3.46 4.53 0.84 3.92 1.43 -1.26 -5.07 118.68 126.54 2png s LEU 56 Ca 0.24 -1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 51.39 2png s LEU 56 Cb -0.15 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.47 2png s LEU 56 CO 0.16 -0.37 1.11 -2.84 0.23 0.00 0.00 176.35 174.64 2png s PRO 57 N 1.07 1.70 0.54 1.29 0.02 -1.26 -4.62 135.00 133.73 2png s PRO 57 Ca 0.04 0.52 0.25 0.00 0.02 0.00 0.00 61.00 61.83 2png s PRO 57 Cb -0.20 -1.88 1.51 0.00 0.02 0.00 0.00 34.50 33.95 2png s PRO 57 CO -0.05 -1.86 2.15 0.82 -0.33 0.00 0.00 177.00 177.73 2png h ILE 58 N -1.26 0.70 0.00 2.83 5.03 -1.97 0.14 117.51 122.98 2png h ILE 58 Ca -0.48 -0.25 -0.00 0.00 -0.12 0.00 0.00 64.86 64.00 2png h ILE 58 Cb 1.29 1.15 -0.00 0.00 -3.03 0.00 0.00 36.82 36.23 2png h ILE 58 CO 0.60 0.06 -0.02 0.03 -0.68 0.00 0.00 178.15 178.15 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -2.01 -0.58 114.38 114.16 2png h ARG 59 Ca -0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 59.98 59.17 2png h ARG 59 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.06 2png h ARG 59 CO 0.01 0.02 -2.15 0.39 0.00 0.00 0.00 179.97 178.24 2png n GLU 60 N -4.08 0.49 0.24 0.04 1.02 0.10 -4.53 120.64 113.92 2png n GLU 60 Ca -0.03 0.13 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 2png n GLU 60 Cb 0.10 -1.37 0.68 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.18 0.91 0.00 2.62 2.07 -0.71 -2.07 116.25 118.89 2png h VAL 61 Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2png h VAL 61 Cb 1.64 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2png h VAL 61 CO -0.13 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.48 2png h ARG 62 N 0.00 0.00 -0.52 1.57 3.08 -1.34 -1.63 114.38 115.54 2png h ARG 62 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2png h ARG 62 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2png h ARG 62 CO -0.00 0.01 0.00 1.04 -1.07 0.00 0.00 179.97 179.95 2png n GLN 63 N -3.21 2.58 -2.02 0.04 3.00 -0.78 -1.85 117.38 115.13 2png n GLN 63 Ca -0.02 -2.38 -0.32 0.00 -0.01 0.00 0.00 57.00 54.27 2png n GLN 63 Cb 0.12 -1.49 0.01 0.00 0.00 0.00 0.00 30.24 28.88 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 -1.18 3.44 0.00 1.08 1.43 -0.61 -4.74 118.68 118.09 2png s LEU 64 Ca 0.40 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 2png s LEU 64 Cb 0.22 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2png s LEU 64 CO 0.29 -1.06 0.00 0.35 0.23 0.00 0.00 176.35 176.17 2png n THR 65 N -2.20 0.00 0.11 5.49 -2.24 -1.26 0.45 114.28 114.64 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 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.00 -1.15 0.00 3.22 -0.00 -1.26 -4.22 117.00 113.58 2png n LEU 66 Ca 0.00 0.42 0.13 0.00 -0.00 0.00 0.00 56.01 56.56 2png n LEU 66 Cb 0.00 1.23 0.64 0.00 -0.00 0.00 0.00 43.42 45.29 2png n LEU 66 CO 0.00 -0.40 0.94 0.54 -0.00 0.00 0.00 177.39 178.47 2png n ARG 67 N -3.10 0.23 0.26 1.96 5.12 -1.26 -1.41 116.66 118.45 2png n ARG 67 Ca 0.00 0.04 0.16 0.00 -1.93 0.00 0.00 57.85 56.11 2png n ARG 67 Cb 0.00 -1.50 0.54 0.00 -1.16 0.00 0.00 32.46 30.34 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 0.00 5.56 3.64 -1.91 -2.75 116.57 121.12 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 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2png h LYS 68 CO 0.00 0.00 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.03 2png h LEU 69 N 0.00 0.00 -1.77 5.20 -0.00 -1.56 0.21 115.31 117.39 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 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2png h LEU 69 CO 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 178.44 178.52 2png n GLN 70 N -3.34 2.13 -0.03 1.13 10.64 -1.03 -1.65 117.38 125.23 2png n GLN 70 Ca -0.01 -1.74 -0.02 0.00 -1.83 0.00 0.00 57.00 53.40 2png n GLN 70 Cb 0.26 -1.42 -0.06 0.00 -0.86 0.00 0.00 30.24 28.15 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 0.93 2.30 -0.31 2.61 4.07 -0.08 -4.44 120.64 125.72 2png n GLU 71 Ca 0.17 -0.02 0.10 0.00 -0.06 0.00 0.00 57.16 57.36 2png n GLU 71 Cb 0.44 -1.20 0.27 0.00 -0.06 0.00 0.00 31.44 30.90 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2png n MET 72 N -2.20 2.43 0.03 5.31 2.81 0.55 -4.35 117.12 121.69 2png n MET 72 Ca -0.11 -2.22 0.09 0.00 -1.81 0.00 0.00 57.70 53.65 2png n MET 72 Cb 0.66 -1.48 0.38 0.00 -0.71 0.00 0.00 33.22 32.07 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 1.31 0.16 -2.94 7.83 3.41 -0.66 -4.94 113.62 117.80 2png n SER 73 Ca 0.21 0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 59.27 2png n SER 73 Cb 0.52 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.67 -7.48 -4.10 4.04 7.64 -1.26 -4.78 113.62 106.01 2png n SER 74 Ca 0.04 0.77 -0.29 0.00 1.01 0.00 0.00 58.87 60.39 2png n SER 74 Cb 0.21 -4.36 -0.17 0.00 -1.01 0.00 0.00 64.21 58.88 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2png s LYS 75 N -2.01 2.42 -1.32 1.43 -0.14 -1.26 -4.95 119.74 113.92 2png s LYS 75 Ca 0.14 -0.64 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 2png s LYS 75 Cb -0.03 -1.99 0.13 0.00 -1.68 0.00 0.00 37.83 34.25 2png s LYS 75 CO 0.69 -0.01 1.90 0.00 -0.76 0.00 0.00 175.35 177.17 2png n ALA 76 N 4.04 5.07 -1.98 5.17 0.00 -1.26 -4.97 120.51 126.57 2png n ALA 76 Ca -0.20 -4.15 -0.41 0.00 0.00 0.00 0.00 53.44 48.68 2png n ALA 76 Cb 0.52 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.75 2png n ALA 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2png s GLY 77 N 2.02 2.53 -0.59 0.00 0.00 -1.26 -4.95 107.32 105.06 2png s GLY 77 Ca 0.43 1.11 -0.27 0.00 0.00 0.00 0.00 44.72 45.99 2png s GLY 77 CO -0.01 2.03 1.11 -0.56 0.00 0.00 0.00 173.10 175.67 2png s SER 78 N 0.22 6.37 0.00 1.64 0.01 -1.26 -4.91 113.70 115.77 2png s SER 78 Ca 0.55 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2png s SER 78 Cb -0.36 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2png s SER 78 CO 0.39 -1.44 0.00 -0.67 0.41 0.00 0.00 173.24 171.93 2png n ASP 79 N 8.21 0.00 -2.93 2.44 2.03 -1.26 -5.04 116.55 119.99 2png n ASP 79 Ca 0.05 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.30 2png n ASP 79 Cb 0.48 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 2png n ASP 79 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2png n THR 80 N -0.48 -8.87 -1.98 5.18 -1.04 -1.26 -4.89 114.28 100.95 2png n THR 80 Ca 0.00 1.17 -0.42 0.00 -2.04 0.00 0.00 64.05 62.76 2png n THR 80 Cb 0.00 -5.83 -0.03 0.00 -1.82 0.00 0.00 70.33 62.65 2png n THR 80 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2png s GLU 81 N -1.80 4.22 0.24 -2.82 -1.05 -1.26 -4.96 118.70 111.27 2png s GLU 81 Ca 0.10 2.28 -0.28 0.00 -0.15 0.00 0.00 54.97 56.91 2png s GLU 81 Cb -0.02 -3.48 -0.09 0.00 -0.44 0.00 0.00 34.13 30.10 2png s GLU 81 CO 0.62 -0.67 0.91 -0.48 0.95 0.00 0.00 175.26 176.59 2png s LEU 82 N 2.21 4.57 -0.33 1.83 2.34 -1.26 -5.02 118.68 123.02 2png s LEU 82 Ca 0.71 1.86 -0.08 0.00 0.06 0.00 0.00 54.13 56.68 2png s LEU 82 Cb -0.39 -3.63 0.02 0.00 -0.56 0.00 0.00 46.19 41.63 2png s LEU 82 CO 0.31 0.12 0.12 0.00 -1.06 0.00 0.00 176.35 175.85 2png s ALA 83 N -1.27 3.13 -0.24 1.48 0.00 -1.26 -5.07 121.76 118.53 2png s ALA 83 Ca 0.42 -1.58 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2png s ALA 83 Cb -0.24 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 2png s ALA 83 CO 0.29 -1.14 -0.00 0.00 0.00 0.00 0.00 175.76 174.91 2png s ALA 84 N 1.50 2.92 -0.15 0.00 0.00 -1.26 -4.97 121.76 119.79 2png s ALA 84 Ca 0.01 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2png s ALA 84 Cb -0.18 -1.84 0.21 0.00 0.00 0.00 0.00 23.12 21.31 2png s ALA 84 CO 0.04 -0.53 1.28 -0.35 0.00 0.00 0.00 175.76 176.21 2png n PRO 85 N 4.83 1.41 -0.06 0.00 -0.05 -1.26 -4.16 135.00 135.71 2png n PRO 85 Ca -0.17 -0.96 -0.10 0.00 -0.05 0.00 0.00 63.50 62.23 2png n PRO 85 Cb 0.50 -1.38 -0.09 0.00 -0.05 0.00 0.00 33.50 32.48 2png n PRO 85 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 175.50 176.32 2png h LYS 86 N 0.33 -0.00 -4.24 0.54 1.57 -2.04 -3.43 116.57 109.30 2png h LYS 86 Ca 0.20 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.42 2png h LYS 86 Cb 1.59 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.52 2png h LYS 86 CO 0.35 0.68 -0.80 0.45 -0.57 0.00 0.00 179.45 179.56 2png s SER 87 N -6.00 2.89 0.07 0.86 0.15 -1.26 -5.05 113.70 105.36 2png s SER 87 Ca -0.13 -0.68 -0.36 0.00 0.70 0.00 0.00 55.95 55.49 2png s SER 87 Cb -0.02 -0.97 -0.19 0.00 -1.71 0.00 0.00 66.02 63.13 2png s SER 87 CO 0.47 -0.17 1.59 0.50 1.20 0.00 0.00 173.24 176.83 2png h LYS 88 N 8.10 -1.09 0.00 5.44 3.64 -1.84 -3.48 116.57 127.34 2png h LYS 88 Ca -0.25 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2png h LYS 88 Cb 1.11 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2png h LYS 88 CO 0.42 -0.72 0.00 -1.71 -2.27 0.00 0.00 179.45 175.16