#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 -0.53 -0.14 1.61 2.03 -1.26 -5.00 116.55 113.26 2png n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2png n ASP 2 Cb 0.00 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2png n GLY 3 N -1.13 1.09 3.69 0.27 0.00 -1.26 -5.02 105.19 102.82 2png n GLY 3 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.93 4.30 -0.16 1.61 0.41 -1.26 -4.89 118.70 116.79 2png s GLU 4 Ca 0.00 1.89 0.01 0.00 -0.41 0.00 0.00 54.97 56.46 2png s GLU 4 Cb 0.00 -3.56 -0.10 0.00 -1.78 0.00 0.00 34.13 28.69 2png s GLU 4 CO 0.00 -0.54 -0.14 0.00 -0.49 0.00 0.00 175.26 174.10 2png n ALA 5 N 5.28 1.67 -3.11 5.21 0.00 -1.26 -5.03 120.51 123.26 2png n ALA 5 Ca 0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 2png n ALA 5 Cb 0.44 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.31 0.34 0.00 0.00 0.74 -1.26 -5.04 119.66 112.13 2png s GLN 6 Ca -0.21 0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.33 2png s GLN 6 Cb 0.05 0.15 0.32 0.00 1.10 0.00 0.00 33.01 34.64 2png s GLN 6 CO 0.36 -0.06 1.09 2.89 -0.55 0.00 0.00 175.29 179.01 2png n ARG 7 N 2.45 0.87 -0.19 1.67 1.85 -1.26 -5.00 116.66 117.05 2png n ARG 7 Ca -0.16 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.72 2png n ARG 7 Cb 0.58 -1.10 -0.01 0.00 -1.05 0.00 0.00 32.46 30.88 2png n ARG 7 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2png n ASP 8 N -0.60 -1.29 -0.03 2.89 -0.08 -1.26 -4.33 116.55 111.85 2png n ASP 8 Ca 0.04 0.21 -0.02 0.00 -1.51 0.00 0.00 54.79 53.51 2png n ASP 8 Cb 0.02 -0.59 -0.06 0.00 2.34 0.00 0.00 41.12 42.83 2png n ASP 8 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2png n LEU 9 N 0.00 0.00 0.10 -2.67 4.77 -1.26 -4.01 117.00 113.92 2png n LEU 9 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2png n LEU 9 Cb 0.09 0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 2png n LEU 9 CO 0.00 0.16 -0.03 0.58 -1.33 0.00 0.00 177.39 176.77 2png h VAL 10 N 0.00 1.52 -0.03 4.08 2.07 -1.87 0.39 116.25 122.42 2png h VAL 10 Ca -0.17 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 64.24 2png h VAL 10 Cb 1.27 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 2png h VAL 10 CO 0.01 0.90 0.00 0.29 0.02 0.00 0.00 177.57 178.79 2png n LYS 11 N -3.51 1.10 0.02 1.57 4.01 -1.26 -2.04 118.16 118.05 2png n LYS 11 Ca -0.08 -0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 2png n LYS 11 Cb 1.01 -1.14 0.00 0.00 -0.51 0.00 0.00 35.03 34.39 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 -0.30 3.00 0.04 7.82 0.00 -1.06 -4.55 120.51 125.45 2png n ALA 12 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2png n ALA 12 Cb 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 1.12 0.00 0.00 2.07 -0.33 -0.82 116.25 118.29 2png h VAL 13 Ca 0.00 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2png h VAL 13 Cb 0.00 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2png h VAL 13 CO 0.00 0.14 -0.31 0.00 0.02 0.00 0.00 177.57 177.42 2png h ALA 14 N 0.63 1.29 0.00 1.67 0.00 -1.50 -1.92 119.26 119.43 2png h ALA 14 Ca -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2png h ALA 14 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2png h ALA 14 CO 0.01 0.39 -0.28 1.25 0.00 0.00 0.00 179.25 180.62 2png h HIS 15 N 0.00 0.00 -0.38 0.00 6.17 -0.97 0.37 115.15 120.34 2png h HIS 15 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 2png h HIS 15 Cb 0.63 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.55 2png h HIS 15 CO 0.00 0.28 0.18 0.82 0.71 0.00 0.00 177.93 179.92 2png h ILE 16 N 0.00 1.17 -0.01 6.26 1.08 -0.34 -2.52 117.51 123.15 2png h ILE 16 Ca -0.00 -0.49 -0.12 0.00 -0.39 0.00 0.00 64.86 63.86 2png h ILE 16 Cb 0.51 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 2png h ILE 16 CO 0.04 0.18 -0.57 -0.07 -0.69 0.00 0.00 178.15 177.04 2png h LEU 17 N 0.47 0.04 0.00 1.44 3.38 -1.32 -3.47 115.31 115.85 2png h LEU 17 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2png h LEU 17 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2png h LEU 17 CO -0.02 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2png n GLY 18 N 0.12 1.94 3.34 0.83 0.00 0.81 -5.12 105.19 107.11 2png n GLY 18 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.88 0.00 -0.61 -4.36 0.94 -4.94 121.20 112.11 2png s ILE 19 Ca 0.00 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 2png s ILE 19 Cb 0.00 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.90 2png s ILE 19 CO 0.00 -0.20 0.00 -1.14 0.24 0.00 0.00 174.94 173.84 2png n ARG 20 N 0.53 0.00 -0.03 0.37 0.00 -1.26 -3.14 116.66 113.12 2png n ARG 20 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.65 2png n ARG 20 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.88 2png n ARG 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2png n ASP 21 N -0.37 0.49 -2.90 6.15 8.00 -1.26 -5.03 116.55 121.63 2png n ASP 21 Ca 0.00 0.22 -0.06 0.00 0.71 0.00 0.00 54.79 55.67 2png n ASP 21 Cb 0.00 0.55 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 2png n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2png n LEU 22 N -2.83 -7.66 0.18 0.64 7.99 -1.26 -4.90 117.00 109.16 2png n LEU 22 Ca -0.19 0.38 0.06 0.00 -0.01 0.00 0.00 56.01 56.26 2png n LEU 22 Cb 0.99 -3.38 0.26 0.00 -0.11 0.00 0.00 43.42 41.17 2png n LEU 22 CO 0.44 -2.05 0.66 0.00 -1.51 0.00 0.00 177.39 174.92 2png h ALA 23 N 1.60 0.88 0.00 -1.18 0.00 -1.98 -3.37 119.26 115.22 2png h ALA 23 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2png h ALA 23 Cb 1.00 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 2png h ALA 23 CO 0.23 0.43 -0.23 0.41 0.00 0.00 0.00 179.25 180.09 2png n GLY 24 N 0.63 0.75 3.11 0.00 0.00 -1.26 -5.13 105.19 103.29 2png n GLY 24 Ca 0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.16 0.85 0.62 -0.61 -1.09 -1.26 -5.14 121.20 114.74 2png s ILE 25 Ca 0.18 -1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 57.38 2png s ILE 25 Cb 0.31 -0.84 -0.03 0.00 -1.58 0.00 0.00 42.46 40.33 2png s ILE 25 CO -0.07 -0.21 1.04 0.20 -1.23 0.00 0.00 174.94 174.67 2png s ASN 26 N -1.44 5.81 -0.08 3.58 -0.87 -1.26 -4.92 114.94 115.76 2png s ASN 26 Ca -0.04 1.66 0.04 0.00 -1.57 0.00 0.00 52.86 52.95 2png s ASN 26 Cb -0.09 -2.51 -0.08 0.00 -0.02 0.00 0.00 41.25 38.56 2png s ASN 26 CO 0.01 -1.15 -0.02 0.18 -2.57 0.00 0.00 177.10 173.55 2png n LEU 27 N -2.46 1.19 -0.91 0.60 4.77 -1.26 -4.59 117.00 114.34 2png n LEU 27 Ca 0.08 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2png n LEU 27 Cb 0.53 -0.02 0.19 0.00 -2.33 0.00 0.00 43.42 41.79 2png n LEU 27 CO 0.52 0.36 0.63 0.47 -1.33 0.00 0.00 177.39 178.03 2png n ASP 28 N -2.46 2.60 -4.74 -1.43 8.00 -1.26 -2.41 116.55 114.85 2png n ASP 28 Ca -0.13 -2.17 -0.38 0.00 0.71 0.00 0.00 54.79 52.81 2png n ASP 28 Cb 0.70 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.80 6.83 0.48 -2.24 0.01 -1.26 -4.94 113.70 111.79 2png s SER 29 Ca 0.27 0.99 -0.21 0.00 1.31 0.00 0.00 55.95 58.32 2png s SER 29 Cb 0.17 -2.33 -0.08 0.00 0.21 0.00 0.00 66.02 63.99 2png s SER 29 CO 0.15 0.02 1.09 -0.44 0.41 0.00 0.00 173.24 174.47 2png s SER 30 N 0.34 6.21 0.00 2.44 0.01 -1.26 -2.64 113.70 118.80 2png s SER 30 Ca 0.30 2.09 0.13 0.00 1.31 0.00 0.00 55.95 59.78 2png s SER 30 Cb -0.17 -2.58 0.61 0.00 0.21 0.00 0.00 66.02 64.09 2png s SER 30 CO 0.14 -0.88 1.39 0.18 0.41 0.00 0.00 173.24 174.48 2png n LEU 31 N -0.80 0.00 0.03 2.44 4.32 0.52 -1.21 117.00 122.30 2png n LEU 31 Ca 0.09 0.41 -0.13 0.00 -0.02 0.00 0.00 56.01 56.36 2png n LEU 31 Cb 0.51 -0.41 -0.01 0.00 -1.62 0.00 0.00 43.42 41.89 2png n LEU 31 CO 0.43 -0.23 0.30 0.00 -1.22 0.00 0.00 177.39 176.67 2png h ALA 32 N 2.53 0.47 -0.44 -1.18 0.00 -0.99 0.11 119.26 119.77 2png h ALA 32 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2png h ALA 32 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2png h ALA 32 CO 0.00 0.74 -0.10 0.22 0.00 0.00 0.00 179.25 180.11 2png h ASP 33 N 0.35 0.77 0.37 0.00 1.82 -1.42 -2.82 116.42 115.49 2png h ASP 33 Ca -0.05 -0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 56.35 2png h ASP 33 Cb 1.38 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2png h ASP 33 CO 0.14 0.90 -0.18 -0.07 -1.61 0.00 0.00 179.24 178.43 2png h LEU 34 N 0.71 -0.42 0.00 2.28 3.38 -1.53 -3.50 115.31 116.23 2png h LEU 34 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2png h LEU 34 Cb 0.58 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2png h LEU 34 CO 0.04 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2png n GLY 35 N 0.26 0.69 3.80 0.83 0.00 0.37 -5.11 105.19 106.02 2png n GLY 35 Ca -0.08 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 3.63 0.00 0.99 0.05 -1.17 -4.89 118.68 117.29 2png s LEU 36 Ca 0.00 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 53.77 2png s LEU 36 Cb 0.00 -2.17 0.00 0.00 -2.05 0.00 0.00 46.19 41.97 2png s LEU 36 CO 0.00 -0.12 0.00 -0.67 -0.55 0.00 0.00 176.35 175.01 2png n ASP 37 N -1.18 0.00 0.00 1.48 -0.08 -1.26 -4.83 116.55 110.68 2png n ASP 37 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2png n ASP 37 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2png n ASP 37 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2png n SER 38 N 0.00 0.00 -0.11 1.67 7.64 -1.26 -3.62 113.62 117.94 2png n SER 38 Ca 0.00 0.42 -0.17 0.00 1.01 0.00 0.00 58.87 60.13 2png n SER 38 Cb 0.00 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 2png n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2png n LEU 39 N -1.09 2.64 0.16 -3.43 7.94 -1.26 -4.21 117.00 117.76 2png n LEU 39 Ca 0.00 -0.02 0.13 0.00 -1.11 0.00 0.00 56.01 55.01 2png n LEU 39 Cb 0.00 -0.72 0.56 0.00 0.53 0.00 0.00 43.42 43.79 2png n LEU 39 CO 0.00 0.76 0.88 0.24 -1.11 0.00 0.00 177.39 178.16 2png h MET 40 N -0.20 0.00 0.00 1.96 2.86 -1.97 0.32 114.93 117.90 2png h MET 40 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2png h MET 40 Cb 1.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.33 2png h MET 40 CO -0.14 0.00 -0.84 0.41 1.06 0.00 0.00 176.91 177.40 2png n GLY 41 N -0.29 -1.31 0.41 8.32 0.00 -1.24 -3.81 105.19 107.27 2png n GLY 41 Ca 0.01 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2png n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2png n VAL 42 N -2.04 0.85 0.20 1.61 0.31 -0.08 -4.33 118.33 114.85 2png n VAL 42 Ca 0.03 -0.24 0.05 0.00 -0.01 0.00 0.00 64.34 64.16 2png n VAL 42 Cb 0.44 -1.54 0.51 0.00 -0.91 0.00 0.00 33.84 32.34 2png n VAL 42 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2png h GLU 43 N -0.42 0.08 -0.95 5.55 4.81 -0.68 0.03 114.58 123.01 2png h GLU 43 Ca -0.38 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2png h GLU 43 Cb 1.39 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 2png h GLU 43 CO -0.19 0.19 0.63 -0.24 -0.73 0.00 0.00 179.01 178.66 2png h VAL 44 N 0.08 1.24 0.00 0.32 3.04 -1.74 -2.13 116.25 117.06 2png h VAL 44 Ca 0.02 -0.44 -0.17 0.00 -1.01 0.00 0.00 66.70 65.10 2png h VAL 44 Cb 0.23 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.34 2png h VAL 44 CO 0.01 0.23 -0.84 0.03 -1.01 0.00 0.00 177.57 176.00 2png h ARG 45 N 1.27 0.00 0.00 4.17 3.08 -1.25 0.27 114.38 121.92 2png h ARG 45 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2png h ARG 45 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2png h ARG 45 CO -0.08 0.80 0.00 1.04 -1.07 0.00 0.00 179.97 180.67 2png n GLN 46 N -3.29 0.00 -0.13 0.04 6.02 -0.30 0.49 117.38 120.22 2png n GLN 46 Ca 0.00 0.17 -0.26 0.00 -0.01 0.00 0.00 57.00 56.90 2png n GLN 46 Cb 0.87 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.50 1.52 0.39 5.09 5.41 -0.95 -4.20 119.36 125.13 2png n ILE 47 Ca 0.05 -0.27 -0.18 0.00 1.00 0.00 0.00 62.75 63.35 2png n ILE 47 Cb 0.22 -1.97 -0.09 0.00 -0.71 0.00 0.00 39.64 37.10 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 -1.00 -0.83 -0.56 1.39 3.38 -0.14 0.04 115.31 117.59 2png h LEU 48 Ca -0.57 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.30 2png h LEU 48 Cb 1.48 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2png h LEU 48 CO -0.34 -0.56 -0.17 -0.33 0.09 0.00 0.00 178.44 177.13 2png h GLU 49 N -1.03 0.98 0.13 1.13 5.08 0.51 0.14 114.58 121.53 2png h GLU 49 Ca -0.10 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2png h GLU 49 Cb 0.76 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2png h GLU 49 CO 0.16 1.06 -0.06 -0.09 -1.00 0.00 0.00 179.01 179.08 2png h ARG 50 N 0.86 -0.17 0.00 2.33 2.43 -1.59 -3.10 114.38 115.14 2png h ARG 50 Ca 0.12 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2png h ARG 50 Cb 0.73 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2png h ARG 50 CO 0.06 -0.08 -0.18 0.93 -1.51 0.00 0.00 179.97 179.19 2png h GLU 51 N -1.04 0.00 0.00 0.20 4.39 -1.10 -3.36 114.58 113.66 2png h GLU 51 Ca -0.02 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 2png h GLU 51 Cb 0.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2png h GLU 51 CO 0.03 0.99 -0.92 0.45 -1.16 0.00 0.00 179.01 178.40 2png h HIS 52 N -1.00 0.00 -0.22 4.33 3.86 -1.16 -3.47 115.15 117.49 2png h HIS 52 Ca -0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 2png h HIS 52 Cb 1.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2png h HIS 52 CO 0.25 0.82 -0.06 -3.47 0.86 0.00 0.00 177.93 176.33 2png n ASP 53 N -3.26 -2.70 -4.36 2.45 2.03 0.34 -5.00 116.55 106.05 2png n ASP 53 Ca -0.01 0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 2png n ASP 53 Cb 0.88 -1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.66 5.24 -1.15 -2.67 1.02 -0.23 -4.88 118.68 115.35 2png s LEU 54 Ca 0.00 -1.26 -0.21 0.00 0.02 0.00 0.00 54.13 52.69 2png s LEU 54 Cb 0.00 -2.09 0.06 0.00 0.02 0.00 0.00 46.19 44.18 2png s LEU 54 CO 0.00 -0.54 1.58 -0.69 0.02 0.00 0.00 176.35 176.72 2png s VAL 55 N 1.57 4.03 -0.43 -1.59 1.01 -1.26 -2.24 120.40 121.48 2png s VAL 55 Ca 0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 2png s VAL 55 Cb -0.22 -5.12 0.12 0.00 0.00 0.00 0.00 36.38 31.15 2png s VAL 55 CO 0.06 -1.98 0.24 -0.76 0.00 0.00 0.00 175.10 172.66 2png s LEU 56 N 4.59 5.30 0.00 3.92 1.43 -1.26 -5.06 118.68 127.60 2png s LEU 56 Ca 0.50 -2.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 2png s LEU 56 Cb 0.02 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2png s LEU 56 CO -0.02 -0.54 0.00 -2.65 0.23 0.00 0.00 176.35 173.37 2png n PRO 57 N 4.53 -0.32 0.26 1.29 -0.02 -1.26 -4.59 135.00 134.88 2png n PRO 57 Ca -0.02 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.58 2png n PRO 57 Cb 0.41 0.00 0.75 0.00 -0.02 0.00 0.00 33.50 34.64 2png n PRO 57 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2png h ILE 58 N -1.16 0.79 0.00 4.25 5.03 -1.97 0.12 117.51 124.57 2png h ILE 58 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 2png h ILE 58 Cb 0.00 0.98 -0.00 0.00 -3.03 0.00 0.00 36.82 34.76 2png h ILE 58 CO 0.00 0.00 -0.05 0.03 -0.68 0.00 0.00 178.15 177.45 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -1.99 -2.05 114.38 112.71 2png h ARG 59 Ca 0.02 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.15 2png h ARG 59 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.00 2png h ARG 59 CO -0.00 0.05 -2.17 0.39 0.00 0.00 0.00 179.97 178.24 2png n GLU 60 N -3.33 0.45 0.24 0.04 -0.58 0.23 -4.61 120.64 113.08 2png n GLU 60 Ca -0.01 0.19 0.10 0.00 -0.42 0.00 0.00 57.16 57.02 2png n GLU 60 Cb 0.22 -1.26 0.68 0.00 -0.57 0.00 0.00 31.44 30.51 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 -0.70 0.91 0.00 2.62 2.07 -1.04 -1.98 116.25 118.14 2png h VAL 61 Ca -0.53 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2png h VAL 61 Cb 1.48 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2png h VAL 61 CO -0.31 0.00 -0.14 0.03 0.02 0.00 0.00 177.57 177.18 2png h ARG 62 N 0.00 0.00 -0.02 1.57 3.08 -1.61 -2.30 114.38 115.11 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 0.14 -0.09 1.04 -1.07 0.00 0.00 179.97 179.98 2png n GLN 63 N -3.53 1.56 -2.60 0.04 3.00 -0.75 -0.41 117.38 114.70 2png n GLN 63 Ca -0.01 -1.02 -0.37 0.00 -0.01 0.00 0.00 57.00 55.58 2png n GLN 63 Cb 0.28 -1.48 -0.05 0.00 0.00 0.00 0.00 30.24 28.99 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 -2.15 4.27 0.27 1.08 1.43 -0.86 -4.80 118.68 117.91 2png s LEU 64 Ca 0.32 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.50 2png s LEU 64 Cb 0.20 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 2png s LEU 64 CO 0.39 -0.31 0.31 0.42 0.23 0.00 0.00 176.35 177.38 2png s THR 65 N -1.56 4.62 0.19 5.49 -4.23 -1.26 -0.36 115.64 118.53 2png s THR 65 Ca 0.53 -1.19 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 2png s THR 65 Cb -0.23 -3.56 0.18 0.00 1.34 0.00 0.00 72.50 70.23 2png s THR 65 CO 0.29 -0.30 1.62 0.25 -0.54 0.00 0.00 174.62 175.94 2png h LEU 66 N 1.26 -0.68 -1.32 4.79 7.12 -1.23 0.16 115.31 125.41 2png h LEU 66 Ca -0.49 0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.70 2png h LEU 66 Cb 1.24 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 2png h LEU 66 CO 0.60 -0.23 0.00 0.54 -0.13 0.00 0.00 178.44 179.22 2png n ARG 67 N -5.41 1.84 0.04 1.25 5.12 -1.21 -3.30 116.66 114.99 2png n ARG 67 Ca 0.05 -1.29 -0.04 0.00 -1.93 0.00 0.00 57.85 54.64 2png n ARG 67 Cb 0.32 -1.32 -0.09 0.00 -1.16 0.00 0.00 32.46 30.20 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 2.23 0.00 -0.99 5.56 3.64 -0.99 -3.35 116.57 122.67 2png h LYS 68 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2png h LYS 68 Cb 0.50 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 2png h LYS 68 CO 0.00 0.58 0.62 -0.07 -2.27 0.00 0.00 179.45 178.31 2png h LEU 69 N 0.00 0.91 -0.81 5.20 -0.00 -1.51 0.07 115.31 119.16 2png h LEU 69 Ca -0.13 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2png h LEU 69 Cb 1.73 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 2png h LEU 69 CO 0.08 0.49 0.00 0.00 -0.00 0.00 0.00 178.44 179.01 2png n GLN 70 N -4.63 1.52 -0.02 1.13 10.64 -1.25 -1.87 117.38 122.89 2png n GLN 70 Ca 0.18 -0.80 0.08 0.00 -1.83 0.00 0.00 57.00 54.64 2png n GLN 70 Cb 0.35 -1.28 0.08 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.07 1.41 -1.46 2.61 2.13 -0.00 -4.17 120.64 121.23 2png n GLU 71 Ca 0.12 -1.55 0.01 0.00 0.66 0.00 0.00 57.16 56.40 2png n GLU 71 Cb 0.22 -1.32 -0.00 0.00 0.27 0.00 0.00 31.44 30.61 2png n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2png n MET 72 N 0.93 0.13 -0.02 5.31 0.00 -1.06 -4.85 117.12 117.55 2png n MET 72 Ca 0.10 -1.79 0.13 0.00 0.00 0.00 0.00 57.70 56.14 2png n MET 72 Cb 0.42 0.06 0.51 0.00 0.00 0.00 0.00 33.22 34.21 2png n MET 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2png n SER 73 N 0.25 1.39 0.00 3.17 3.41 -0.78 -4.89 113.62 116.18 2png n SER 73 Ca -0.04 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2png n SER 73 Cb 1.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 2png n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2png n SER 74 N 0.10 -1.26 -3.90 4.04 2.88 -1.26 -4.48 113.62 109.74 2png n SER 74 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2png n SER 74 Cb 0.32 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.53 2png n SER 74 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2png s LYS 75 N -0.08 1.63 -0.21 -1.46 -2.85 -1.26 -5.01 119.74 110.50 2png s LYS 75 Ca 0.00 -1.24 0.08 0.00 -1.00 0.00 0.00 55.97 53.81 2png s LYS 75 Cb 0.00 0.50 -0.21 0.00 -2.06 0.00 0.00 37.83 36.06 2png s LYS 75 CO 0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 175.35 174.74 2png n ALA 76 N -0.41 1.43 -0.90 0.59 0.00 -1.26 -4.89 120.51 115.07 2png n ALA 76 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2png n ALA 76 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 1.99 2.49 0.92 0.00 0.00 -1.26 -1.83 105.19 107.51 2png n GLY 77 Ca -0.38 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.26 2png n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2png n SER 78 N -0.03 2.47 -0.07 1.61 7.64 -1.26 -3.84 113.62 120.14 2png n SER 78 Ca 0.00 -2.28 -0.12 0.00 1.01 0.00 0.00 58.87 57.47 2png n SER 78 Cb 0.00 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 2png n SER 78 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2png h ASP 79 N 1.30 0.00 -3.88 6.43 3.58 -1.78 -3.41 116.42 118.66 2png h ASP 79 Ca 0.00 -0.78 -0.66 0.00 0.42 0.00 0.00 57.03 56.01 2png h ASP 79 Cb 0.94 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.59 2png h ASP 79 CO 0.15 0.96 -0.69 -0.89 -2.88 0.00 0.00 179.24 175.89 2png s THR 80 N -2.13 2.40 0.17 2.25 2.01 -1.25 -4.96 115.64 114.13 2png s THR 80 Ca -0.17 -2.62 -0.04 0.00 0.31 0.00 0.00 61.69 59.18 2png s THR 80 Cb -0.02 -2.74 -0.11 0.00 0.01 0.00 0.00 72.50 69.65 2png s THR 80 CO 0.56 -0.66 1.42 -0.33 -0.69 0.00 0.00 174.62 174.93 2png h GLU 81 N 7.31 0.50 -6.45 4.92 4.39 -1.81 -3.42 114.58 120.01 2png h GLU 81 Ca -0.05 -0.39 -0.56 0.00 0.34 0.00 0.00 59.36 58.69 2png h GLU 81 Cb 0.98 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.63 2png h GLU 81 CO 0.57 1.02 0.90 -1.17 -1.16 0.00 0.00 179.01 179.17 2png s LEU 82 N -8.10 3.57 -0.23 1.33 2.96 -1.26 -4.99 118.68 111.97 2png s LEU 82 Ca -0.07 0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 53.67 2png s LEU 82 Cb 0.10 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.65 2png s LEU 82 CO 0.85 -1.43 0.66 0.00 -1.32 0.00 0.00 176.35 175.11 2png s ALA 83 N 4.76 3.59 0.08 5.97 0.00 -1.26 -4.77 121.76 130.12 2png s ALA 83 Ca 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2png s ALA 83 Cb -0.08 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2png s ALA 83 CO 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 175.76 175.28 2png n ALA 84 N 5.49 -2.70 -1.76 0.00 0.00 -1.26 -4.99 120.51 115.30 2png n ALA 84 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2png n ALA 84 Cb 0.49 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.16 2png n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2png s PRO 85 N -2.44 3.18 0.09 0.00 0.04 -1.26 -4.94 135.00 129.66 2png s PRO 85 Ca 0.00 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 2png s PRO 85 Cb 0.00 -2.09 -0.23 0.00 0.04 0.00 0.00 34.50 32.22 2png s PRO 85 CO 0.00 -1.06 1.18 0.87 0.04 0.00 0.00 177.00 178.03 2png h LYS 86 N 1.25 0.42 -2.75 4.56 1.57 -1.99 -3.43 116.57 116.19 2png h LYS 86 Ca -0.50 -0.58 -0.15 0.00 -1.87 0.00 0.00 60.65 57.55 2png h LYS 86 Cb 1.29 0.19 -0.29 0.00 0.08 0.00 0.00 32.23 33.50 2png h LYS 86 CO 0.57 1.24 -0.41 -1.12 -0.57 0.00 0.00 179.45 179.15 2png s SER 87 N -7.23 -0.21 0.36 0.86 0.01 -1.26 -5.05 113.70 101.18 2png s SER 87 Ca -0.06 0.76 0.06 0.00 1.31 0.00 0.00 55.95 58.03 2png s SER 87 Cb 0.07 0.80 0.69 0.00 0.21 0.00 0.00 66.02 67.79 2png s SER 87 CO 0.89 -0.21 1.91 0.11 0.41 0.00 0.00 173.24 176.36 2png h LYS 88 N 7.62 0.44 -0.02 12.44 1.57 -2.01 -3.55 116.57 133.06 2png h LYS 88 Ca -0.28 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2png h LYS 88 Cb 1.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2png h LYS 88 CO 0.24 0.47 0.00 -1.71 -0.57 0.00 0.00 179.45 177.88