#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2div s SER 2 N 0.00 6.64 -0.67 1.61 0.15 -1.26 -4.99 113.70 115.18 2div s SER 2 Ca 0.00 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.37 2div s SER 2 Cb 0.00 -2.22 0.09 0.00 -1.71 0.00 0.00 66.02 62.18 2div s SER 2 CO 0.00 0.20 2.64 -1.20 1.20 0.00 0.00 173.24 176.08 2div n SER 3 N 2.73 6.88 -1.73 5.45 7.64 -1.26 -4.06 113.62 129.27 2div n SER 3 Ca -0.12 -3.22 -0.00 0.00 1.01 0.00 0.00 58.87 56.53 2div n SER 3 Cb 0.52 -1.25 0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2div n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2div n GLY 4 N 1.00 -0.41 2.99 0.23 0.00 -1.26 -5.12 105.19 102.62 2div n GLY 4 Ca 0.52 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 2div n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2div s SER 5 N -0.22 -0.17 -1.56 1.61 0.15 -1.26 -4.90 113.70 107.36 2div s SER 5 Ca 0.02 0.37 -0.01 0.00 0.70 0.00 0.00 55.95 57.03 2div s SER 5 Cb 0.09 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2div s SER 5 CO -0.03 -0.13 0.07 -1.20 1.20 0.00 0.00 173.24 173.16 2div n SER 6 N 3.88 0.68 0.35 5.45 7.64 -1.26 -4.84 113.62 125.51 2div n SER 6 Ca -0.22 -1.25 -0.18 0.00 1.01 0.00 0.00 58.87 58.23 2div n SER 6 Cb 0.54 -1.72 -0.09 0.00 -1.01 0.00 0.00 64.21 61.94 2div n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2div h GLY 7 N -1.74 -0.90 -5.22 0.23 0.00 -1.97 -3.16 103.07 90.30 2div h GLY 7 Ca -0.65 0.34 -0.69 0.00 0.00 0.00 0.00 47.33 46.33 2div h GLY 7 CO 0.71 -0.33 3.45 1.03 0.00 0.00 0.00 176.54 181.41 2div n MET 8 N -5.47 3.91 -0.08 4.80 2.00 -1.26 -4.48 117.12 116.54 2div n MET 8 Ca -0.13 -2.55 -0.10 0.00 0.00 0.00 0.00 57.70 54.92 2div n MET 8 Cb 0.36 -2.78 -0.04 0.00 0.00 0.00 0.00 33.22 30.76 2div n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2div n ALA 9 N 3.20 0.60 0.38 3.04 0.00 -1.20 -4.30 120.51 122.23 2div n ALA 9 Ca 0.73 -0.51 0.01 0.00 0.00 0.00 0.00 53.44 53.67 2div n ALA 9 Cb 0.24 -0.09 0.12 0.00 0.00 0.00 0.00 19.45 19.72 2div n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2div n ALA 10 N -3.72 3.02 -2.23 0.00 0.00 -1.26 -4.73 120.51 111.59 2div n ALA 10 Ca -0.15 -0.65 -0.19 0.00 0.00 0.00 0.00 53.44 52.44 2div n ALA 10 Cb 0.40 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 2div n ALA 10 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2div s SER 11 N -0.18 5.41 0.11 0.00 0.01 -1.26 -2.74 113.70 115.05 2div s SER 11 Ca 0.18 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.95 2div s SER 11 Cb 0.14 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 2div s SER 11 CO 0.05 -0.61 -0.10 -0.76 0.41 0.00 0.00 173.24 172.22 2div s LEU 12 N -4.19 2.43 -0.06 2.44 1.43 0.45 -4.22 118.68 116.96 2div s LEU 12 Ca 0.49 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2div s LEU 12 Cb -0.07 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 2div s LEU 12 CO 0.30 -0.27 0.25 0.86 0.23 0.00 0.00 176.35 177.72 2div s TRP 13 N -2.61 3.64 -0.24 0.29 -0.00 -0.75 -1.31 118.94 117.97 2div s TRP 13 Ca 0.08 0.69 -0.04 0.00 -0.00 0.00 0.00 56.10 56.83 2div s TRP 13 Cb -0.02 -2.06 0.08 0.00 -0.00 0.00 0.00 33.47 31.47 2div s TRP 13 CO 0.00 0.68 0.10 1.41 -0.00 0.00 0.00 176.95 179.14 2div s MET 14 N -1.19 0.29 0.00 5.86 -2.45 -0.42 -1.98 119.30 119.41 2div s MET 14 Ca 0.20 -0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.22 2div s MET 14 Cb -0.14 -1.64 0.00 0.00 1.25 0.00 0.00 34.83 34.30 2div s MET 14 CO 0.09 -0.84 0.00 0.41 1.05 0.00 0.00 175.02 175.74 2div n GLY 15 N 5.18 3.07 2.34 2.11 0.00 -1.20 0.15 105.19 116.84 2div n GLY 15 Ca -0.06 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 2div n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2div n ASP 16 N 0.00 -3.83 -4.79 1.61 9.92 -0.93 -4.74 116.55 113.80 2div n ASP 16 Ca 0.00 0.21 -0.38 0.00 -0.53 0.00 0.00 54.79 54.10 2div n ASP 16 Cb 0.00 -3.31 -0.06 0.00 -0.64 0.00 0.00 41.12 37.11 2div n ASP 16 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2div s LEU 17 N -5.22 4.47 0.68 0.64 1.43 0.11 -5.05 118.68 115.74 2div s LEU 17 Ca 0.00 1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 54.60 2div s LEU 17 Cb 0.00 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.67 2div s LEU 17 CO 0.00 0.09 1.09 -1.61 0.23 0.00 0.00 176.35 176.16 2div s GLU 18 N -1.60 2.76 0.00 1.70 0.41 -1.26 -4.68 118.70 116.03 2div s GLU 18 Ca 0.41 1.25 0.15 0.00 -0.41 0.00 0.00 54.97 56.38 2div s GLU 18 Cb -0.20 -1.95 0.87 0.00 -1.78 0.00 0.00 34.13 31.06 2div s GLU 18 CO 0.24 -1.26 1.36 -0.35 -0.49 0.00 0.00 175.26 174.76 2div n PRO 19 N -2.72 0.40 -0.69 0.39 -0.04 -1.26 -2.36 135.00 128.72 2div n PRO 19 Ca 0.09 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2div n PRO 19 Cb 0.53 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 2div n PRO 19 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2div n TYR 20 N -1.09 0.25 -4.31 0.54 4.11 -1.26 -4.86 117.16 110.53 2div n TYR 20 Ca 0.10 -1.55 -0.35 0.00 -0.00 0.00 0.00 57.90 56.10 2div n TYR 20 Cb 0.07 -0.28 -0.09 0.00 -0.00 0.00 0.00 39.34 39.04 2div n TYR 20 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 2div s MET 21 N -3.26 3.11 0.16 -3.48 -1.94 -0.99 -5.05 119.30 107.86 2div s MET 21 Ca 0.39 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 54.00 2div s MET 21 Cb 0.38 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 2div s MET 21 CO -0.06 0.66 0.01 -0.51 -0.01 0.00 0.00 175.02 175.12 2div s ASP 22 N -0.77 1.01 0.32 3.03 1.11 -1.26 -5.00 116.67 115.11 2div s ASP 22 Ca 0.12 -1.18 0.05 0.00 0.18 0.00 0.00 52.55 51.72 2div s ASP 22 Cb -0.12 0.16 0.85 0.00 1.07 0.00 0.00 42.92 44.89 2div s ASP 22 CO 0.02 -0.61 1.56 -0.62 1.18 0.00 0.00 175.17 176.71 2div n GLU 23 N -0.21 -0.08 -0.35 8.23 1.02 -1.26 0.17 120.64 128.16 2div n GLU 23 Ca -0.06 1.47 0.04 0.00 -0.02 0.00 0.00 57.16 58.59 2div n GLU 23 Cb 0.63 -2.39 0.19 0.00 -0.02 0.00 0.00 31.44 29.85 2div n GLU 23 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2div h ASN 24 N 0.00 0.94 0.26 1.62 2.35 -1.96 -1.02 115.58 117.76 2div h ASN 24 Ca 0.64 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.41 2div h ASN 24 Cb 1.40 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2div h ASN 24 CO -0.91 0.56 -0.12 0.15 -1.65 0.00 0.00 177.43 175.46 2div h PHE 25 N 1.05 -0.32 -0.88 1.19 3.04 0.13 -2.53 116.94 118.61 2div h PHE 25 Ca 0.44 -0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.58 2div h PHE 25 Cb 0.29 0.11 -0.16 0.00 2.56 0.00 0.00 35.95 38.74 2div h PHE 25 CO -0.01 -0.20 -0.14 0.82 -2.02 0.00 0.00 178.31 176.76 2div h ILE 26 N -0.49 0.13 -0.87 1.41 1.08 -1.30 0.60 117.51 118.08 2div h ILE 26 Ca -0.04 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 2div h ILE 26 Cb 0.26 0.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.06 2div h ILE 26 CO 0.06 0.00 0.52 0.77 -0.69 0.00 0.00 178.15 178.81 2div h SER 27 N 0.02 0.78 -0.77 1.72 4.64 -1.24 -1.31 113.55 117.40 2div h SER 27 Ca 0.45 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.78 2div h SER 27 Cb 0.77 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 2div h SER 27 CO -0.87 0.46 0.37 0.03 -0.87 0.00 0.00 176.83 175.95 2div h ARG 28 N 0.90 1.11 0.39 4.77 3.08 0.63 -1.63 114.38 123.63 2div h ARG 28 Ca 0.40 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2div h ARG 28 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2div h ARG 28 CO -0.22 0.86 -0.42 0.00 -1.07 0.00 0.00 179.97 179.12 2div h ALA 29 N 1.30 -0.91 -0.15 0.04 0.00 -0.23 0.21 119.26 119.52 2div h ALA 29 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2div h ALA 29 Cb 0.12 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2div h ALA 29 CO -0.03 -1.05 0.07 0.74 0.00 0.00 0.00 179.25 178.98 2div h PHE 30 N -0.84 0.13 -0.86 0.00 -1.00 -1.42 -1.60 116.94 111.36 2div h PHE 30 Ca -0.03 0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.85 2div h PHE 30 Cb 0.75 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 40.20 2div h PHE 30 CO -0.24 0.08 0.50 0.00 -1.61 0.00 0.00 178.31 177.04 2div h ALA 31 N 1.08 1.24 -0.54 2.45 0.00 -0.78 0.70 119.26 123.42 2div h ALA 31 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2div h ALA 31 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2div h ALA 31 CO -0.04 0.12 0.14 1.15 0.00 0.00 0.00 179.25 180.62 2div h THR 32 N 0.83 1.24 0.00 0.00 2.02 -0.13 -1.77 112.91 115.10 2div h THR 32 Ca 0.42 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2div h THR 32 Cb 0.39 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2div h THR 32 CO -0.25 0.31 0.00 0.23 0.37 0.00 0.00 175.52 176.18 2div n MET 33 N -4.43 0.35 -1.46 6.66 2.00 -0.64 -4.81 117.12 114.78 2div n MET 33 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.79 2div n MET 33 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.94 2div n MET 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2div n GLY 34 N -0.06 0.94 2.95 3.03 0.00 -0.67 -5.08 105.19 106.30 2div n GLY 34 Ca 0.09 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2div n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2div s GLU 35 N -2.89 0.49 -0.67 1.61 0.41 0.15 -4.99 118.70 112.82 2div s GLU 35 Ca 0.00 -0.18 -0.18 0.00 -0.41 0.00 0.00 54.97 54.21 2div s GLU 35 Cb 0.00 -0.49 0.13 0.00 -1.78 0.00 0.00 34.13 31.99 2div s GLU 35 CO 0.00 0.09 0.74 0.99 -0.49 0.00 0.00 175.26 176.59 2div s THR 36 N 0.04 5.00 0.45 3.63 2.01 -1.26 -2.16 115.64 123.35 2div s THR 36 Ca -0.00 -1.39 -0.23 0.00 0.31 0.00 0.00 61.69 60.38 2div s THR 36 Cb -0.04 -4.50 -0.08 0.00 0.01 0.00 0.00 72.50 67.89 2div s THR 36 CO -0.00 -1.12 1.11 0.54 -0.69 0.00 0.00 174.62 174.46 2div s VAL 37 N 2.10 3.37 -0.17 3.82 0.11 -1.26 -4.93 120.40 123.44 2div s VAL 37 Ca 0.14 1.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.99 2div s VAL 37 Cb -0.20 -3.49 -0.17 0.00 -1.53 0.00 0.00 36.38 30.99 2div s VAL 37 CO 0.01 -0.04 0.29 0.24 -3.33 0.00 0.00 175.10 172.28 2div h MET 38 N 2.06 0.00 -2.83 1.54 2.86 -1.80 -3.50 114.93 113.26 2div h MET 38 Ca -0.49 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.19 2div h MET 38 Cb 1.24 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.79 2div h MET 38 CO 0.60 0.75 0.28 -1.54 1.06 0.00 0.00 176.91 178.07 2div s SER 39 N -6.38 -0.43 -0.03 1.22 1.04 -1.23 -4.96 113.70 102.93 2div s SER 39 Ca -0.21 -0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 2div s SER 39 Cb 0.02 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.74 2div s SER 39 CO 0.51 -1.00 0.08 0.54 0.98 0.00 0.00 173.24 174.35 2div s VAL 40 N -3.65 -0.01 -0.13 5.02 0.11 -1.26 -0.61 120.40 119.87 2div s VAL 40 Ca 0.05 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2div s VAL 40 Cb -0.02 -0.13 0.02 0.00 -1.53 0.00 0.00 36.38 34.72 2div s VAL 40 CO -0.06 0.01 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.83 2div s LYS 41 N 0.15 2.16 -0.32 1.54 2.20 0.16 -4.86 119.74 120.77 2div s LYS 41 Ca -0.01 -0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 54.93 2div s LYS 41 Cb -0.02 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.31 2div s LYS 41 CO -0.00 -0.20 0.42 0.42 -0.36 0.00 0.00 175.35 175.63 2div s ILE 42 N 1.39 5.12 -0.30 5.43 -1.09 -1.26 -1.15 121.20 129.34 2div s ILE 42 Ca 0.02 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.47 2div s ILE 42 Cb -0.13 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2div s ILE 42 CO -0.08 -0.05 1.24 -0.63 -1.23 0.00 0.00 174.94 174.19 2div s ILE 43 N 2.16 4.24 0.13 2.92 -1.09 -1.16 -4.99 121.20 123.41 2div s ILE 43 Ca 0.15 1.41 0.04 0.00 -2.23 0.00 0.00 60.65 60.02 2div s ILE 43 Cb -0.16 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 2div s ILE 43 CO 0.12 -0.47 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.13 2div s ARG 44 N 4.02 1.00 0.94 2.79 0.52 -1.26 0.72 118.95 127.67 2div s ARG 44 Ca 0.53 -1.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.20 2div s ARG 44 Cb -0.16 -0.53 0.16 0.00 0.52 0.00 0.00 34.95 34.94 2div s ARG 44 CO 0.21 0.06 1.18 1.21 0.02 0.00 0.00 175.30 177.98 2div s ASN 45 N -3.08 3.31 -0.20 0.23 2.47 -0.66 -4.90 114.94 112.11 2div s ASN 45 Ca 0.15 0.74 0.02 0.00 0.42 0.00 0.00 52.86 54.19 2div s ASN 45 Cb 0.03 -1.15 -0.21 0.00 -1.45 0.00 0.00 41.25 38.47 2div s ASN 45 CO -0.01 -2.65 0.04 -1.14 -3.72 0.00 0.00 177.10 169.62 2div n ARG 46 N -3.80 0.69 -0.09 0.43 0.00 -1.26 -2.94 116.66 109.69 2div n ARG 46 Ca 0.09 0.17 -0.18 0.00 -0.00 0.00 0.00 57.85 57.94 2div n ARG 46 Cb 0.60 -1.59 -0.11 0.00 0.00 0.00 0.00 32.46 31.35 2div n ARG 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2div h LEU 47 N 0.02 0.00 0.00 6.15 3.38 -2.00 -3.38 115.31 119.48 2div h LEU 47 Ca -0.51 -0.62 -0.19 0.00 0.09 0.00 0.00 57.88 56.65 2div h LEU 47 Cb 1.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2div h LEU 47 CO -0.01 1.26 -0.96 0.71 0.09 0.00 0.00 178.44 179.52 2div h THR 48 N -1.00 1.29 0.00 0.22 1.35 -1.99 -3.47 112.91 109.31 2div h THR 48 Ca -0.21 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 2div h THR 48 Cb 1.12 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 2div h THR 48 CO -0.12 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2div n GLY 49 N 1.34 0.28 3.75 5.82 0.00 -1.15 -4.91 105.19 110.32 2div n GLY 49 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2div n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2div s ILE 50 N -1.81 3.77 -0.11 -0.61 1.01 -1.26 -4.35 121.20 117.83 2div s ILE 50 Ca 0.00 1.67 -0.29 0.00 0.00 0.00 0.00 60.65 62.03 2div s ILE 50 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2div s ILE 50 CO 0.00 0.36 1.54 -2.16 0.00 0.00 0.00 174.94 174.67 2div s PRO 51 N -0.97 4.13 0.57 2.79 0.04 -1.26 -1.66 135.00 138.64 2div s PRO 51 Ca 0.46 1.95 0.40 0.00 0.04 0.00 0.00 61.00 63.85 2div s PRO 51 Cb -0.30 -3.93 1.39 0.00 0.04 0.00 0.00 34.50 31.70 2div s PRO 51 CO 0.37 -0.88 1.44 0.00 0.04 0.00 0.00 177.00 177.96 2div n ALA 52 N 7.21 1.52 0.00 8.56 0.00 0.22 -4.64 120.51 133.38 2div n ALA 52 Ca 0.17 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2div n ALA 52 Cb 0.44 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2div n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2div n GLY 53 N -1.83 1.13 3.14 0.00 0.00 -1.26 -5.03 105.19 101.34 2div n GLY 53 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 2div n GLY 53 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2div s TYR 54 N -2.00 0.33 0.02 1.61 1.13 -1.26 -0.71 117.35 116.46 2div s TYR 54 Ca 0.00 -0.80 -0.08 0.00 -1.41 0.00 0.00 57.07 54.78 2div s TYR 54 Cb 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.63 2div s TYR 54 CO 0.00 -0.44 0.15 0.00 -2.51 0.00 0.00 175.55 172.75 2div s PHE 56 N -1.85 3.61 -0.10 0.00 0.08 -0.30 -1.30 117.98 118.12 2div s PHE 56 Ca -0.11 0.57 0.04 0.00 0.12 0.00 0.00 56.93 57.54 2div s PHE 56 Cb -0.05 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2div s PHE 56 CO -0.00 0.72 -0.23 0.14 -0.10 0.00 0.00 175.22 175.75 2div s VAL 57 N -1.06 2.01 0.23 -0.44 -7.23 -0.43 -0.66 120.40 112.83 2div s VAL 57 Ca 0.17 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 2div s VAL 57 Cb -0.13 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2div s VAL 57 CO 0.06 0.55 0.47 -0.70 -0.31 0.00 0.00 175.10 175.17 2div s GLU 58 N 0.41 3.60 0.34 4.82 2.12 0.22 -0.41 118.70 129.80 2div s GLU 58 Ca -0.17 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.07 2div s GLU 58 Cb -0.18 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 2div s GLU 58 CO 0.08 0.32 0.39 -0.06 -0.54 0.00 0.00 175.26 175.45 2div s PHE 59 N -1.93 1.40 0.11 5.30 0.08 -1.11 -2.13 117.98 119.70 2div s PHE 59 Ca 0.42 -1.48 -0.28 0.00 0.12 0.00 0.00 56.93 55.71 2div s PHE 59 Cb -0.11 -0.37 -0.10 0.00 -0.57 0.00 0.00 43.02 41.87 2div s PHE 59 CO 0.28 -1.03 1.63 0.00 -0.10 0.00 0.00 175.22 176.01 2div h ALA 60 N 2.11 -0.52 -3.00 5.36 0.00 -1.92 -3.46 119.26 117.83 2div h ALA 60 Ca -0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2div h ALA 60 Cb 1.24 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2div h ALA 60 CO 0.38 -0.84 0.27 -0.51 0.00 0.00 0.00 179.25 178.55 2div s ASP 61 N -4.76 -0.01 0.12 0.00 1.01 -1.26 -4.98 116.67 106.77 2div s ASP 61 Ca -0.16 -1.11 -0.24 0.00 0.71 0.00 0.00 52.55 51.76 2div s ASP 61 Cb 0.07 0.84 -0.07 0.00 1.01 0.00 0.00 42.92 44.78 2div s ASP 61 CO 0.65 -1.67 1.68 0.25 0.21 0.00 0.00 175.17 176.29 2div h LEU 62 N 2.00 -0.42 -0.68 1.23 5.85 -1.85 -1.56 115.31 119.88 2div h LEU 62 Ca -0.31 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2div h LEU 62 Cb 1.25 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.37 2div h LEU 62 CO 0.39 -0.20 -0.52 0.00 -0.34 0.00 0.00 178.44 177.77 2div h ALA 63 N 0.73 -0.60 -0.96 1.25 0.00 -1.97 0.24 119.26 117.95 2div h ALA 63 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2div h ALA 63 Cb 0.30 1.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 2div h ALA 63 CO -0.15 -0.92 0.62 1.15 0.00 0.00 0.00 179.25 179.95 2div h THR 64 N -0.15 1.06 -0.75 0.00 2.02 -1.93 -1.86 112.91 111.30 2div h THR 64 Ca 0.11 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 67.00 2div h THR 64 Cb 0.44 -0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 2div h THR 64 CO -0.72 0.20 0.42 0.00 0.37 0.00 0.00 175.52 175.78 2div h ALA 65 N 1.49 1.03 0.21 6.16 0.00 0.43 0.25 119.26 128.83 2div h ALA 65 Ca 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2div h ALA 65 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2div h ALA 65 CO -0.17 0.07 -0.12 0.93 0.00 0.00 0.00 179.25 179.96 2div h GLU 66 N 0.73 -0.29 -0.49 0.00 5.08 -0.22 0.35 114.58 119.74 2div h GLU 66 Ca 0.35 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.87 2div h GLU 66 Cb 0.28 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2div h GLU 66 CO -0.22 -0.19 0.36 0.87 -1.00 0.00 0.00 179.01 178.83 2div h LYS 67 N -0.30 0.00 0.00 2.33 6.56 -1.46 0.47 116.57 124.18 2div h LYS 67 Ca -0.03 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 2div h LYS 67 Cb 0.24 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2div h LYS 67 CO 0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 179.45 177.27 2div n LEU 69 N -3.17 1.12 0.06 0.00 7.94 0.12 -3.96 117.00 119.12 2div n LEU 69 Ca 0.02 0.20 0.13 0.00 -1.11 0.00 0.00 56.01 55.25 2div n LEU 69 Cb 0.53 -0.05 0.39 0.00 0.53 0.00 0.00 43.42 44.82 2div n LEU 69 CO 0.35 0.56 0.76 1.41 -1.11 0.00 0.00 177.39 179.35 2div n HIS 70 N -3.05 0.58 0.32 1.96 8.25 0.11 -0.23 115.22 123.17 2div n HIS 70 Ca -0.27 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.48 2div n HIS 70 Cb 1.08 -0.73 0.12 0.00 1.12 0.00 0.00 29.99 31.57 2div n HIS 70 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2div h LYS 71 N 0.00 0.00 0.00 -0.41 5.09 -1.52 -3.35 116.57 116.38 2div h LYS 71 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2div h LYS 71 Cb 0.67 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.00 2div h LYS 71 CO 0.00 0.00 0.00 0.44 -2.09 0.00 0.00 179.45 177.80 2div n ILE 72 N -2.53 0.00 -1.98 0.07 -5.35 -1.20 -4.79 119.36 103.58 2div n ILE 72 Ca 0.02 -0.33 -0.30 0.00 -0.27 0.00 0.00 62.75 61.87 2div n ILE 72 Cb 0.50 1.31 -0.06 0.00 -1.74 0.00 0.00 39.64 39.65 2div n ILE 72 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2div n ASN 73 N -0.04 3.02 0.00 7.28 2.85 0.68 -2.15 115.26 126.91 2div n ASN 73 Ca 0.00 -2.70 0.00 0.00 -0.11 0.00 0.00 54.58 51.77 2div n ASN 73 Cb 0.08 -1.68 0.00 0.00 1.24 0.00 0.00 39.78 39.42 2div n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2div n GLY 74 N 5.67 1.60 3.80 8.20 0.00 -1.14 -4.97 105.19 118.34 2div n GLY 74 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 2div n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2div s LYS 75 N 0.00 2.96 0.09 1.61 -0.14 -0.91 -4.61 119.74 118.74 2div s LYS 75 Ca 0.00 1.09 -0.31 0.00 -1.36 0.00 0.00 55.97 55.39 2div s LYS 75 Cb 0.00 -1.99 -0.07 0.00 -1.68 0.00 0.00 37.83 34.09 2div s LYS 75 CO 0.00 -1.09 1.38 -1.25 -0.76 0.00 0.00 175.35 173.63 2div s PRO 76 N -4.65 4.32 -0.19 -1.68 0.04 -1.26 0.28 135.00 131.87 2div s PRO 76 Ca 0.61 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.41 2div s PRO 76 Cb -0.15 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2div s PRO 76 CO 0.48 -0.45 0.89 -1.17 0.04 0.00 0.00 177.00 176.80 2div s LEU 77 N 1.34 4.14 0.66 -3.56 2.96 -0.36 -4.77 118.68 119.10 2div s LEU 77 Ca 0.64 1.22 -0.15 0.00 -0.22 0.00 0.00 54.13 55.62 2div s LEU 77 Cb -0.35 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2div s LEU 77 CO 0.30 -0.49 1.11 -2.16 -1.32 0.00 0.00 176.35 173.79 2div s PRO 78 N 2.52 2.77 0.00 0.98 0.04 -1.26 -3.72 135.00 136.32 2div s PRO 78 Ca 0.40 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2div s PRO 78 Cb -0.16 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2div s PRO 78 CO 0.10 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.28 2div n GLY 79 N -0.56 1.34 3.25 0.56 0.00 -1.26 -4.81 105.19 103.70 2div n GLY 79 Ca 0.10 -0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.54 2div n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2div n ALA 80 N 0.00 -1.74 -2.70 4.61 0.00 -1.24 -4.92 120.51 114.51 2div n ALA 80 Ca 0.00 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 2div n ALA 80 Cb 0.00 -1.66 -0.14 0.00 0.00 0.00 0.00 19.45 17.66 2div n ALA 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2div s THR 81 N 1.96 3.06 0.13 0.00 2.01 -1.26 -2.67 115.64 118.87 2div s THR 81 Ca 0.89 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 2div s THR 81 Cb -1.27 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2div s THR 81 CO 0.67 0.57 1.46 1.55 -0.69 0.00 0.00 174.62 178.17 2div h PRO 82 N 5.84 0.86 -0.70 4.92 0.13 -2.02 -3.47 132.00 137.55 2div h PRO 82 Ca -0.39 -0.45 0.20 0.00 -0.87 0.00 0.00 66.00 64.49 2div h PRO 82 Cb 1.17 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 2div h PRO 82 CO 0.52 1.09 0.37 0.00 -0.23 0.00 0.00 178.00 179.76 2div s ALA 83 N -4.39 -2.90 0.37 -0.56 0.00 -1.09 -5.02 121.76 108.18 2div s ALA 83 Ca -0.12 1.96 0.04 0.00 0.00 0.00 0.00 51.96 53.85 2div s ALA 83 Cb 0.10 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 2div s ALA 83 CO 0.86 -0.90 0.05 0.15 0.00 0.00 0.00 175.76 175.92 2div s LYS 84 N 2.18 1.82 0.27 0.00 1.02 -1.26 -5.06 119.74 118.71 2div s LYS 84 Ca -0.02 -2.04 0.06 0.00 0.02 0.00 0.00 55.97 53.99 2div s LYS 84 Cb -0.04 -1.11 -0.03 0.00 -0.52 0.00 0.00 37.83 36.14 2div s LYS 84 CO -0.17 -0.20 0.30 0.50 -0.92 0.00 0.00 175.35 174.86 2div s ARG 85 N -3.82 3.08 -0.70 1.68 6.06 -1.26 -1.22 118.95 122.76 2div s ARG 85 Ca 0.32 -1.00 -0.27 0.00 -2.50 0.00 0.00 55.73 52.28 2div s ARG 85 Cb 0.08 -2.68 0.02 0.00 0.06 0.00 0.00 34.95 32.42 2div s ARG 85 CO 0.15 0.32 1.42 -0.06 -2.50 0.00 0.00 175.30 174.62 2div s PHE 86 N -2.12 2.14 -0.62 5.12 0.08 0.14 -4.58 117.98 118.15 2div s PHE 86 Ca 0.36 0.17 -0.19 0.00 0.12 0.00 0.00 56.93 57.39 2div s PHE 86 Cb -0.08 -4.49 0.10 0.00 -0.57 0.00 0.00 43.02 37.98 2div s PHE 86 CO 0.27 -2.12 0.76 0.21 -0.10 0.00 0.00 175.22 174.23 2div s LYS 87 N 6.03 3.08 0.12 0.44 2.47 -1.26 -2.90 119.74 127.72 2div s LYS 87 Ca 0.43 -1.29 0.07 0.00 -1.56 0.00 0.00 55.97 53.63 2div s LYS 87 Cb -0.09 -4.29 -0.04 0.00 -1.46 0.00 0.00 37.83 31.96 2div s LYS 87 CO 0.17 -1.59 -0.18 -0.51 0.16 0.00 0.00 175.35 173.41 2div s LEU 88 N 2.83 2.36 0.28 5.43 1.43 -1.26 -3.24 118.68 126.52 2div s LEU 88 Ca 0.14 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 2div s LEU 88 Cb -0.22 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.27 2div s LEU 88 CO 0.06 -0.03 0.60 0.20 0.23 0.00 0.00 176.35 177.41 2div s ASN 89 N -2.23 -0.06 0.12 2.29 -0.87 -0.84 -4.98 114.94 108.37 2div s ASN 89 Ca 0.09 -0.89 -0.31 0.00 -1.57 0.00 0.00 52.86 50.18 2div s ASN 89 Cb -0.08 0.68 -0.07 0.00 -0.02 0.00 0.00 41.25 41.76 2div s ASN 89 CO 0.04 -1.30 1.27 -0.31 -2.57 0.00 0.00 177.10 174.24 2div s TYR 90 N -3.69 3.35 0.63 2.20 2.02 -1.26 -1.80 117.35 118.80 2div s TYR 90 Ca 0.18 1.20 0.21 0.00 -0.37 0.00 0.00 57.07 58.28 2div s TYR 90 Cb -0.03 -3.53 0.96 0.00 -0.40 0.00 0.00 41.96 38.96 2div s TYR 90 CO 0.10 -1.70 1.49 0.00 -1.57 0.00 0.00 175.55 173.87 2div h ALA 91 N 6.37 2.16 -0.90 3.71 0.00 -1.89 -1.16 119.26 127.56 2div h ALA 91 Ca -0.43 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.73 2div h ALA 91 Cb 1.21 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2div h ALA 91 CO 0.81 -1.00 1.12 0.00 0.00 0.00 0.00 179.25 180.19 2div h THR 92 N 0.00 0.04 -0.02 0.00 1.03 -1.90 -3.40 112.91 108.66 2div h THR 92 Ca 0.19 0.00 -0.60 0.00 -0.01 0.00 0.00 66.41 65.99 2div h THR 92 Cb 1.78 0.07 -0.07 0.00 -1.07 0.00 0.00 68.15 68.86 2div h THR 92 CO -0.00 0.00 1.60 -1.22 -0.01 0.00 0.00 175.52 175.89 2div n TYR 93 N -3.24 0.79 -3.32 0.00 4.02 -0.44 -4.83 117.16 110.13 2div n TYR 93 Ca 0.20 0.52 0.03 0.00 -0.01 0.00 0.00 57.90 58.63 2div n TYR 93 Cb 1.40 -2.35 -0.03 0.00 -0.02 0.00 0.00 39.34 38.34 2div n TYR 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2div s SER 94 N 7.93 -0.83 0.45 7.72 0.15 -1.26 -5.15 113.70 122.71 2div s SER 94 Ca 1.30 0.82 -0.22 0.00 0.70 0.00 0.00 55.95 58.55 2div s SER 94 Cb -1.34 1.81 -0.11 0.00 -1.71 0.00 0.00 66.02 64.67 2div s SER 94 CO 0.55 -0.16 0.63 0.61 1.20 0.00 0.00 173.24 176.07 2div n GLY 95 N 5.28 -1.26 3.65 9.45 0.00 -1.26 -4.85 105.19 116.20 2div n GLY 95 Ca -0.07 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2div n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2div s PRO 96 N -1.77 4.03 0.18 1.61 0.04 -1.26 -4.91 135.00 132.92 2div s PRO 96 Ca 0.65 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 2div s PRO 96 Cb -0.56 -3.96 0.15 0.00 0.04 0.00 0.00 34.50 30.17 2div s PRO 96 CO 0.57 -1.00 1.73 0.77 0.04 0.00 0.00 177.00 179.11 2div h SER 97 N 9.76 0.06 0.00 6.66 0.02 -2.06 -3.29 113.55 124.70 2div h SER 97 Ca -0.34 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 2div h SER 97 Cb 1.15 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2div h SER 97 CO 0.98 0.07 -0.90 -1.54 -1.14 0.00 0.00 176.83 174.29 2div n SER 98 N -5.07 1.85 0.00 3.07 3.41 -1.26 -5.34 113.62 110.27 2div n SER 98 Ca 0.04 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2div n SER 98 Cb 0.20 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2div n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49