#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 0.00 0.00 1.61 5.75 -1.26 -5.09 116.55 117.56 2png n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2png n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2png n GLY 3 N 0.27 1.97 0.08 6.12 0.00 -1.26 -3.21 105.19 109.16 2png n GLY 3 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.49 0.00 1.61 1.02 -1.26 -5.05 120.64 117.45 2png n GLU 4 Ca 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2png n GLU 4 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 2png n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2png n ALA 5 N -3.89 0.00 -2.33 0.62 0.00 -1.20 -5.15 120.51 108.57 2png n ALA 5 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 2png n ALA 5 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 1.28 0.23 0.00 0.74 -1.26 -4.90 119.66 115.75 2png s GLN 6 Ca 0.00 -1.57 0.08 0.00 0.05 0.00 0.00 55.36 53.92 2png s GLN 6 Cb 0.00 -1.00 -0.05 0.00 1.10 0.00 0.00 33.01 33.07 2png s GLN 6 CO 0.00 0.14 -0.14 -0.98 -0.55 0.00 0.00 175.29 173.77 2png s ARG 7 N -3.68 1.42 0.41 1.67 1.70 -1.26 -5.09 118.95 114.12 2png s ARG 7 Ca 0.22 -1.65 -0.24 0.00 -0.47 0.00 0.00 55.73 53.59 2png s ARG 7 Cb 0.00 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 33.08 2png s ARG 7 CO 0.06 0.18 1.08 0.34 -1.08 0.00 0.00 175.30 175.88 2png s ASP 8 N -3.37 6.61 0.47 -2.89 2.15 -1.26 -4.90 116.67 113.48 2png s ASP 8 Ca 0.25 2.12 0.16 0.00 0.43 0.00 0.00 52.55 55.51 2png s ASP 8 Cb -0.01 -2.59 1.10 0.00 -0.30 0.00 0.00 42.92 41.12 2png s ASP 8 CO 0.09 -0.60 2.03 -0.07 -0.17 0.00 0.00 175.17 176.45 2png h LEU 9 N 2.42 0.00 0.00 -1.34 3.38 -1.94 0.12 115.31 117.95 2png h LEU 9 Ca -0.49 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.26 2png h LEU 9 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2png h LEU 9 CO 0.62 0.15 -1.09 0.58 0.09 0.00 0.00 178.44 178.78 2png h VAL 10 N 0.00 1.60 -0.00 1.22 2.07 -1.88 0.29 116.25 119.55 2png h VAL 10 Ca -0.00 -3.33 0.00 0.00 0.82 0.00 0.00 66.70 64.19 2png h VAL 10 Cb 0.27 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2png h VAL 10 CO 0.02 0.92 -0.00 0.29 0.02 0.00 0.00 177.57 178.81 2png n LYS 11 N -3.31 0.99 0.00 1.57 4.01 -0.58 -1.73 118.16 119.10 2png n LYS 11 Ca -0.02 -0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 2png n LYS 11 Cb 0.96 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.98 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 -0.95 0.68 0.24 7.82 0.00 -0.07 -4.36 120.51 123.87 2png n ALA 12 Ca 0.23 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 2png n ALA 12 Cb 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 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 0.58 -0.56 0.00 2.07 -0.52 -1.13 116.25 116.70 2png h VAL 13 Ca 0.00 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2png h VAL 13 Cb 0.00 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2png h VAL 13 CO 0.00 0.03 0.10 0.00 0.02 0.00 0.00 177.57 177.72 2png h ALA 14 N -0.12 1.12 0.00 1.67 0.00 -1.49 -1.58 119.26 118.87 2png h ALA 14 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2png h ALA 14 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2png h ALA 14 CO 0.10 0.58 0.00 1.58 0.00 0.00 0.00 179.25 181.50 2png n HIS 15 N -4.25 0.67 0.01 0.00 -0.00 -0.89 -0.06 115.22 110.70 2png n HIS 15 Ca 0.04 0.25 -0.18 0.00 -0.00 0.00 0.00 57.72 57.82 2png n HIS 15 Cb 0.26 -0.90 -0.11 0.00 -0.00 0.00 0.00 29.99 29.24 2png n HIS 15 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2png h ILE 16 N 0.00 1.37 -0.14 3.57 1.08 -0.19 -3.28 117.51 119.93 2png h ILE 16 Ca 0.00 -2.11 -0.14 0.00 -0.39 0.00 0.00 64.86 62.22 2png h ILE 16 Cb 0.43 2.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 2png h ILE 16 CO 0.00 0.63 -0.52 -0.07 -0.69 0.00 0.00 178.15 177.50 2png h LEU 17 N 0.09 0.42 0.00 1.44 3.38 -1.06 -3.47 115.31 116.11 2png h LEU 17 Ca -0.09 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2png h LEU 17 Cb 1.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2png h LEU 17 CO 0.15 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2png n GLY 18 N 0.13 1.79 3.54 0.83 0.00 0.65 -5.12 105.19 107.01 2png n GLY 18 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 1.68 0.00 -0.61 -4.36 0.91 -4.95 121.20 111.87 2png s ILE 19 Ca 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 2png s ILE 19 Cb 0.00 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.82 2png s ILE 19 CO 0.00 -0.02 0.00 -1.14 0.24 0.00 0.00 174.94 174.02 2png n ARG 20 N -0.84 0.00 0.27 0.37 0.63 -1.26 -2.10 116.66 113.72 2png n ARG 20 Ca -0.04 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.74 2png n ARG 20 Cb 0.67 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.50 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 -0.58 -1.49 6.15 2.03 -1.98 -3.47 116.42 117.08 2png h ASP 21 Ca 0.00 -0.06 -0.35 0.00 -0.73 0.00 0.00 57.03 55.90 2png h ASP 21 Cb 0.00 0.15 -0.09 0.00 -0.83 0.00 0.00 39.33 38.56 2png h ASP 21 CO 0.00 -0.27 -0.37 0.18 -1.03 0.00 0.00 179.24 177.75 2png n LEU 22 N -5.31 -1.47 0.23 0.15 7.99 -1.26 -4.86 117.00 112.47 2png n LEU 22 Ca -0.11 0.24 0.12 0.00 -0.01 0.00 0.00 56.01 56.25 2png n LEU 22 Cb 0.32 -2.46 0.23 0.00 -0.11 0.00 0.00 43.42 41.40 2png n LEU 22 CO 0.33 -0.59 0.83 0.00 -1.51 0.00 0.00 177.39 176.44 2png h ALA 23 N 0.34 0.99 0.00 -1.18 0.00 -2.04 -3.30 119.26 114.07 2png h ALA 23 Ca -0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2png h ALA 23 Cb 1.19 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 2png h ALA 23 CO 0.50 0.01 -0.75 0.41 0.00 0.00 0.00 179.25 179.42 2png n GLY 24 N 0.98 0.82 3.68 0.00 0.00 -1.26 -5.08 105.19 104.32 2png n GLY 24 Ca 0.04 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 3.99 -0.32 -0.61 1.09 -1.25 -5.05 121.20 119.06 2png s ILE 25 Ca 0.21 -0.91 -0.29 0.00 -1.10 0.00 0.00 60.65 58.56 2png s ILE 25 Cb 0.24 -2.86 -0.01 0.00 -1.06 0.00 0.00 42.46 38.76 2png s ILE 25 CO -0.10 0.19 1.52 0.20 -0.10 0.00 0.00 174.94 176.64 2png s ASN 26 N -2.10 6.34 0.00 3.58 -0.87 -1.26 -4.83 114.94 115.80 2png s ASN 26 Ca 0.24 1.22 0.26 0.00 -1.57 0.00 0.00 52.86 53.01 2png s ASN 26 Cb -0.12 -2.54 1.24 0.00 -0.02 0.00 0.00 41.25 39.82 2png s ASN 26 CO 0.16 -1.36 1.87 0.18 -2.57 0.00 0.00 177.10 175.38 2png n LEU 27 N 8.73 0.00 0.19 0.60 4.77 -1.26 -1.93 117.00 128.09 2png n LEU 27 Ca 0.18 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 2png n LEU 27 Cb 0.47 -0.37 0.20 0.00 -2.33 0.00 0.00 43.42 41.38 2png n LEU 27 CO 0.67 -0.04 0.68 -0.78 -1.33 0.00 0.00 177.39 176.58 2png h ASP 28 N 0.00 0.00 -3.10 -1.43 3.58 -1.88 -3.44 116.42 110.15 2png h ASP 28 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 2png h ASP 28 Cb 0.33 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 2png h ASP 28 CO 0.00 0.26 1.06 -0.44 -2.88 0.00 0.00 179.24 177.24 2png s SER 29 N -6.28 6.27 0.91 2.28 0.01 -0.81 -4.88 113.70 111.19 2png s SER 29 Ca 0.04 0.46 -0.12 0.00 1.31 0.00 0.00 55.95 57.64 2png s SER 29 Cb 0.07 -2.55 0.13 0.00 0.21 0.00 0.00 66.02 63.89 2png s SER 29 CO 0.69 -1.56 1.09 -0.44 0.41 0.00 0.00 173.24 173.43 2png s SER 30 N 3.94 3.37 0.60 2.44 0.01 -1.26 -3.37 113.70 119.42 2png s SER 30 Ca 0.54 1.49 0.35 0.00 1.31 0.00 0.00 55.95 59.64 2png s SER 30 Cb -0.11 -2.17 1.90 0.00 0.21 0.00 0.00 66.02 65.85 2png s SER 30 CO 0.28 -2.70 2.23 -0.07 0.41 0.00 0.00 173.24 173.39 2png h LEU 31 N -1.59 0.00 -0.89 2.44 4.07 -0.49 0.11 115.31 118.96 2png h LEU 31 Ca -0.50 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.38 2png h LEU 31 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 2png h LEU 31 CO 0.54 0.03 -0.06 0.00 -1.08 0.00 0.00 178.44 177.87 2png h ALA 32 N 1.97 1.07 -0.33 1.53 0.00 -0.72 0.25 119.26 123.02 2png h ALA 32 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2png h ALA 32 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2png h ALA 32 CO 0.00 0.58 -0.15 0.22 0.00 0.00 0.00 179.25 179.90 2png h ASP 33 N 0.69 0.71 -0.41 0.00 3.58 -1.07 -2.81 116.42 117.11 2png h ASP 33 Ca 0.13 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 57.10 2png h ASP 33 Cb 0.52 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2png h ASP 33 CO 0.03 0.95 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.27 2png h LEU 34 N 0.47 0.78 0.00 2.28 -0.00 -1.19 -3.47 115.31 114.17 2png h LEU 34 Ca 0.08 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2png h LEU 34 Cb 0.68 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2png h LEU 34 CO 0.05 0.85 0.00 0.61 -0.00 0.00 0.00 178.44 179.94 2png n GLY 35 N -0.62 1.55 3.67 0.83 0.00 0.57 -5.05 105.19 106.14 2png n GLY 35 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.55 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 3.30 0.00 0.99 7.94 0.46 -4.71 117.00 124.97 2png n LEU 36 Ca 0.00 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 2png n LEU 36 Cb 0.00 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.60 2png n LEU 36 CO 0.00 -0.13 0.00 -0.67 -1.11 0.00 0.00 177.39 175.48 2png n ASP 37 N 6.86 0.00 0.00 1.96 2.03 -1.26 -4.89 116.55 121.26 2png n ASP 37 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2png n ASP 37 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2png n ASP 37 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2png n SER 38 N -0.37 0.00 0.18 1.67 2.88 -1.26 -4.97 113.62 111.75 2png n SER 38 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2png n SER 38 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 0.00 2.46 7.12 -1.98 -2.82 115.31 120.09 2png h LEU 39 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2png h LEU 39 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2png h LEU 39 CO 0.00 0.38 0.00 0.23 -0.13 0.00 0.00 178.44 178.92 2png n MET 40 N -3.40 0.01 0.00 1.25 2.81 -1.26 -1.31 117.12 115.22 2png n MET 40 Ca 0.01 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 2png n MET 40 Cb 0.56 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.18 0.35 0.23 3.03 0.00 -1.07 -4.73 105.19 101.81 2png n GLY 41 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.30 1.61 2.07 -1.14 -0.36 116.25 118.12 2png h VAL 42 Ca 0.00 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2png h VAL 42 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2png h VAL 42 CO 0.00 0.00 0.19 -0.08 0.02 0.00 0.00 177.57 177.70 2png h GLU 43 N -0.90 0.40 0.86 1.57 4.81 -1.89 -1.93 114.58 117.51 2png h GLU 43 Ca -0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2png h GLU 43 Cb 0.41 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2png h GLU 43 CO 0.09 0.28 -0.41 0.28 -0.73 0.00 0.00 179.01 178.51 2png h VAL 44 N 0.41 0.00 -0.10 0.32 2.07 -1.81 -2.86 116.25 114.28 2png h VAL 44 Ca 0.11 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2png h VAL 44 Cb -0.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 2png h VAL 44 CO -0.02 0.00 0.03 -0.09 0.02 0.00 0.00 177.57 177.50 2png h ARG 45 N -1.30 0.14 -0.34 1.57 2.43 -0.61 0.01 114.38 116.28 2png h ARG 45 Ca -0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2png h ARG 45 Cb 0.89 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2png h ARG 45 CO 0.19 0.13 0.20 1.96 -1.51 0.00 0.00 179.97 180.94 2png h GLN 46 N 0.14 0.47 -0.66 0.20 4.20 -1.34 0.22 115.11 118.34 2png h GLN 46 Ca 0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2png h GLN 46 Cb 0.05 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2png h GLN 46 CO -0.00 0.37 0.23 0.82 -0.67 0.00 0.00 178.83 179.58 2png h ILE 47 N 0.43 1.25 -0.00 2.54 2.04 -0.79 0.91 117.51 123.90 2png h ILE 47 Ca 0.12 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 2png h ILE 47 Cb 0.03 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2png h ILE 47 CO -0.02 0.32 -0.24 -0.07 0.00 0.00 0.00 178.15 178.14 2png h LEU 48 N 0.95 0.22 -0.17 1.44 -0.00 -1.18 -2.89 115.31 113.68 2png h LEU 48 Ca 0.21 -0.77 -0.03 0.00 -0.00 0.00 0.00 57.88 57.29 2png h LEU 48 Cb 0.27 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2png h LEU 48 CO -0.01 0.95 -0.02 -0.08 -0.00 0.00 0.00 178.44 179.28 2png h GLU 49 N -0.50 0.31 0.00 1.13 4.81 0.10 0.12 114.58 120.54 2png h GLU 49 Ca -0.03 -0.11 -0.29 0.00 -0.13 0.00 0.00 59.36 58.80 2png h GLU 49 Cb 0.99 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 2png h GLU 49 CO 0.05 0.56 -1.74 0.54 -0.73 0.00 0.00 179.01 177.69 2png n ARG 50 N -4.70 0.63 -0.03 1.92 1.74 0.30 -1.64 116.66 114.89 2png n ARG 50 Ca -0.05 0.27 -0.15 0.00 -0.77 0.00 0.00 57.85 57.15 2png n ARG 50 Cb 0.25 -1.77 -0.14 0.00 -1.02 0.00 0.00 32.46 29.77 2png n ARG 50 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2png n GLU 51 N -3.01 0.69 -0.00 5.56 -0.58 -1.09 -4.54 120.64 117.67 2png n GLU 51 Ca -0.17 0.23 0.01 0.00 -0.42 0.00 0.00 57.16 56.80 2png n GLU 51 Cb 1.04 -1.70 -0.01 0.00 -0.57 0.00 0.00 31.44 30.21 2png n GLU 51 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2png n HIS 52 N -3.20 0.00 -1.64 -0.32 8.25 -0.80 -5.01 115.22 112.49 2png n HIS 52 Ca -0.28 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.14 2png n HIS 52 Cb 1.06 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.15 2png n HIS 52 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2png n ASP 53 N -1.20 -2.81 -4.32 0.41 9.92 0.17 -4.97 116.55 113.75 2png n ASP 53 Ca 0.00 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 2png n ASP 53 Cb 0.02 -1.50 -0.09 0.00 -0.64 0.00 0.00 41.12 38.91 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2png s LEU 54 N -1.23 5.25 -0.95 0.64 1.02 0.11 -4.86 118.68 118.67 2png s LEU 54 Ca 0.00 -1.38 -0.21 0.00 0.02 0.00 0.00 54.13 52.55 2png s LEU 54 Cb 0.00 -2.06 0.08 0.00 0.02 0.00 0.00 46.19 44.24 2png s LEU 54 CO 0.00 -0.55 1.28 -0.69 0.02 0.00 0.00 176.35 176.41 2png s VAL 55 N 1.51 4.26 -0.39 -1.59 1.01 -1.26 -1.98 120.40 121.96 2png s VAL 55 Ca 0.03 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2png s VAL 55 Cb -0.23 -4.92 0.02 0.00 0.00 0.00 0.00 36.38 31.25 2png s VAL 55 CO 0.04 -1.73 0.98 -0.76 0.00 0.00 0.00 175.10 173.63 2png s LEU 56 N 4.05 3.93 0.00 3.92 1.43 -1.26 -5.03 118.68 125.71 2png s LEU 56 Ca 0.39 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.00 2png s LEU 56 Cb -0.03 -3.34 0.09 0.00 0.03 0.00 0.00 46.19 42.94 2png s LEU 56 CO -0.07 -0.95 0.56 -2.65 0.23 0.00 0.00 176.35 173.47 2png n PRO 57 N 7.01 -0.28 -0.06 1.29 -0.02 -1.26 -4.70 135.00 136.98 2png n PRO 57 Ca 0.08 -1.07 -0.02 0.00 -2.02 0.00 0.00 63.50 60.47 2png n PRO 57 Cb 0.48 -0.52 0.22 0.00 -0.02 0.00 0.00 33.50 33.67 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 -1.04 1.22 0.00 4.25 5.03 -1.97 0.47 117.51 125.47 2png h ILE 58 Ca -0.18 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 63.66 2png h ILE 58 Cb 0.56 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 2png h ILE 58 CO 0.15 0.31 0.00 -2.11 -0.68 0.00 0.00 178.15 175.82 2png n ARG 59 N -4.25 0.11 0.05 2.37 0.00 -1.26 -1.74 116.66 111.94 2png n ARG 59 Ca 0.02 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2png n ARG 59 Cb 0.27 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.23 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 -1.21 0.00 -0.35 2.89 1.02 -0.66 -4.83 120.64 117.51 2png n GLU 60 Ca 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2png n GLU 60 Cb 0.04 -0.47 0.17 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.00 1.05 0.00 2.62 2.07 -0.92 -2.01 116.25 119.06 2png h VAL 61 Ca 0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2png h VAL 61 Cb 0.16 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2png h VAL 61 CO 0.00 0.20 -0.03 -0.09 0.02 0.00 0.00 177.57 177.67 2png h ARG 62 N 1.08 0.00 0.00 1.57 2.43 -1.54 -2.38 114.38 115.53 2png h ARG 62 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 2png h ARG 62 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2png h ARG 62 CO -0.18 0.03 -1.04 1.04 -1.51 0.00 0.00 179.97 178.30 2png n GLN 63 N -3.15 0.16 -1.97 0.20 3.00 -0.77 0.00 117.38 114.85 2png n GLN 63 Ca -0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2png n GLN 63 Cb 0.26 -1.53 -0.02 0.00 0.00 0.00 0.00 30.24 28.95 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 -3.44 4.38 -0.46 1.08 1.43 -0.90 -4.61 118.68 116.16 2png s LEU 64 Ca 0.05 2.68 -0.04 0.00 -1.03 0.00 0.00 54.13 55.79 2png s LEU 64 Cb 0.16 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.78 2png s LEU 64 CO 0.83 -0.76 2.86 0.35 0.23 0.00 0.00 176.35 179.86 2png n THR 65 N 2.75 3.41 0.00 5.49 -2.24 -1.26 -1.01 114.28 121.42 2png n THR 65 Ca 0.09 -2.89 0.00 0.00 -2.27 0.00 0.00 64.05 58.98 2png n THR 65 Cb 0.39 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 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 1.15 0.00 0.17 3.22 -0.00 -1.22 -3.65 117.00 116.68 2png n LEU 66 Ca 0.49 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.54 2png n LEU 66 Cb 0.58 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 44.24 2png n LEU 66 CO 0.33 0.00 0.60 0.03 -0.00 0.00 0.00 177.39 178.34 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.90 -2.71 114.38 114.21 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 0.47 0.00 -0.22 0.56 0.00 0.00 179.97 180.78 2png h LYS 68 N 0.00 0.00 -0.60 0.04 3.64 -1.92 -2.70 116.57 115.03 2png h LYS 68 Ca -0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2png h LYS 68 Cb 1.03 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.77 2png h LYS 68 CO 0.06 0.00 0.14 -0.07 -2.27 0.00 0.00 179.45 177.31 2png h LEU 69 N 0.00 0.03 -0.21 5.20 -0.00 -1.79 -0.64 115.31 117.90 2png h LEU 69 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2png h LEU 69 Cb 0.29 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2png h LEU 69 CO 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 2png n GLN 70 N -5.11 1.14 -0.06 1.13 10.64 -1.02 -1.64 117.38 122.47 2png n GLN 70 Ca 0.09 -0.21 -0.06 0.00 -1.83 0.00 0.00 57.00 54.99 2png n GLN 70 Cb 0.32 -1.36 -0.15 0.00 -0.86 0.00 0.00 30.24 28.19 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 -0.62 0.67 -0.81 2.61 4.07 -0.34 -4.03 120.64 122.19 2png n GLU 71 Ca 0.17 0.05 0.06 0.00 -0.06 0.00 0.00 57.16 57.38 2png n GLU 71 Cb 0.13 -1.60 0.36 0.00 -0.06 0.00 0.00 31.44 30.27 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 -2.76 4.34 0.08 5.31 2.81 -0.65 -4.37 117.12 121.90 2png n MET 72 Ca -0.24 -3.10 -0.11 0.00 -1.81 0.00 0.00 57.70 52.45 2png n MET 72 Cb 1.03 -2.17 -0.08 0.00 -0.71 0.00 0.00 33.22 31.29 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 3.36 0.25 -0.58 7.83 4.64 -1.45 -3.47 113.55 124.14 2png h SER 73 Ca 0.03 -0.24 -0.25 0.00 -0.47 0.00 0.00 61.79 60.86 2png h SER 73 Cb 1.90 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 63.81 2png h SER 73 CO 0.46 1.12 -0.22 -1.20 -0.87 0.00 0.00 176.83 176.11 2png n SER 74 N -3.55 -4.73 -1.12 4.97 7.64 -1.26 -4.85 113.62 110.73 2png n SER 74 Ca -0.04 0.30 0.12 0.00 1.01 0.00 0.00 58.87 60.26 2png n SER 74 Cb 0.91 -3.29 0.19 0.00 -1.01 0.00 0.00 64.21 61.00 2png n SER 74 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2png n LYS 75 N -2.28 2.48 -2.33 1.43 2.85 -1.26 -4.86 118.16 114.18 2png n LYS 75 Ca -0.12 -2.21 -0.41 0.00 -1.05 0.00 0.00 58.31 54.52 2png n LYS 75 Cb 0.44 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.29 2png n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2png s ALA 76 N -1.63 2.71 -2.61 0.58 0.00 -1.26 -4.79 121.76 114.76 2png s ALA 76 Ca 0.36 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.87 2png s ALA 76 Cb 0.22 -4.14 0.38 0.00 0.00 0.00 0.00 23.12 19.58 2png s ALA 76 CO 0.31 -3.09 1.38 0.41 0.00 0.00 0.00 175.76 174.77 2png n GLY 77 N 5.34 1.53 2.59 0.00 0.00 -1.26 -4.73 105.19 108.67 2png n GLY 77 Ca 0.13 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.62 2.82 -0.06 1.61 0.01 -1.26 -4.92 113.70 110.28 2png s SER 78 Ca 0.36 -1.34 0.20 0.00 1.31 0.00 0.00 55.95 56.48 2png s SER 78 Cb 0.22 -0.09 -0.25 0.00 0.21 0.00 0.00 66.02 66.12 2png s SER 78 CO 0.31 -0.39 0.44 -0.67 0.41 0.00 0.00 173.24 173.34 2png n ASP 79 N 4.99 0.23 -2.94 2.44 -0.08 -1.26 -5.05 116.55 114.88 2png n ASP 79 Ca -0.01 0.10 -0.12 0.00 -1.51 0.00 0.00 54.79 53.25 2png n ASP 79 Cb 0.42 1.18 0.01 0.00 2.34 0.00 0.00 41.12 45.08 2png n ASP 79 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2png n THR 80 N -2.58-10.14 0.68 5.18 -1.04 -1.26 -4.91 114.28 100.21 2png n THR 80 Ca -0.15 0.81 0.13 0.00 -2.04 0.00 0.00 64.05 62.80 2png n THR 80 Cb 0.83 -6.78 0.47 0.00 -1.82 0.00 0.00 70.33 63.03 2png n THR 80 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2png n GLU 81 N -0.25 0.17 -2.38 -2.82 1.02 -1.26 -4.31 120.64 110.81 2png n GLU 81 Ca 0.09 0.19 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 2png n GLU 81 Cb 0.48 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2png n GLU 81 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2png s LEU 82 N -4.03 3.52 -0.01 -4.62 1.43 -1.26 -4.76 118.68 108.94 2png s LEU 82 Ca 0.10 -2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 50.85 2png s LEU 82 Cb 0.13 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.87 2png s LEU 82 CO 0.53 -1.93 0.81 0.00 0.23 0.00 0.00 176.35 175.99 2png s ALA 83 N 6.92 -1.79 -0.28 4.21 0.00 -1.26 -5.18 121.76 124.37 2png s ALA 83 Ca 0.59 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.48 2png s ALA 83 Cb 0.02 0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.45 2png s ALA 83 CO 0.09 -0.56 0.82 0.00 0.00 0.00 0.00 175.76 176.11 2png s ALA 84 N -2.45 -2.07 -0.32 0.00 0.00 -1.26 -5.10 121.76 110.55 2png s ALA 84 Ca -0.00 2.32 -0.27 0.00 0.00 0.00 0.00 51.96 54.00 2png s ALA 84 Cb -0.01 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 2png s ALA 84 CO -0.04 -0.38 2.27 -2.14 0.00 0.00 0.00 175.76 175.47 2png s PRO 85 N 1.52 2.77 -0.89 0.00 0.02 -1.26 -4.88 135.00 132.28 2png s PRO 85 Ca -0.09 1.77 -0.00 0.00 0.02 0.00 0.00 61.00 62.69 2png s PRO 85 Cb -0.04 -4.44 0.26 0.00 0.02 0.00 0.00 34.50 30.29 2png s PRO 85 CO -0.18 -2.52 1.02 1.63 -0.33 0.00 0.00 177.00 176.62 2png n LYS 86 N 8.85 3.25 0.03 5.54 5.02 -1.26 -4.69 118.16 134.90 2png n LYS 86 Ca 0.32 -4.57 -0.22 0.00 -2.02 0.00 0.00 58.31 51.82 2png n LYS 86 Cb 0.49 -2.40 -0.14 0.00 -0.02 0.00 0.00 35.03 32.95 2png n LYS 86 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2png h SER 87 N 5.27 0.49 0.00 4.39 0.02 -2.08 -3.42 113.55 118.22 2png h SER 87 Ca 0.19 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2png h SER 87 Cb 0.70 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2png h SER 87 CO 1.02 1.82 -0.93 1.17 -1.14 0.00 0.00 176.83 178.77 2png n LYS 88 N -3.52 1.22 -0.77 3.45 3.00 -1.26 -5.35 118.16 114.93 2png n LYS 88 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 2png n LYS 88 Cb 1.06 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 35.13 2png n LYS 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49