#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 5.29 0.14 1.61 0.01 -1.26 -4.95 113.70 114.55 2div s SER 2 Ca 0.00 2.10 -0.24 0.00 1.31 0.00 0.00 55.95 59.12 2div s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2div s SER 2 CO 0.00 -1.51 1.61 -1.28 0.41 0.00 0.00 173.24 172.47 2div h SER 3 N 0.48 -0.94 0.00 2.44 0.87 -2.14 -3.47 113.55 110.79 2div h SER 3 Ca -0.48 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2div h SER 3 Cb 1.26 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2div h SER 3 CO 0.55 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.13 2div n GLY 4 N -1.40 0.53 3.33 5.77 0.00 -1.26 -4.86 105.19 107.30 2div n GLY 4 Ca -0.02 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 2div n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2div s SER 5 N -4.00 2.73 -0.22 1.61 0.01 -1.26 -5.14 113.70 107.44 2div s SER 5 Ca 0.00 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 56.37 2div s SER 5 Cb 0.00 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.17 2div s SER 5 CO 0.00 -0.00 0.43 -0.44 0.41 0.00 0.00 173.24 173.64 2div s SER 6 N -2.53 -0.25 0.00 2.44 0.01 -1.26 -5.09 113.70 107.02 2div s SER 6 Ca 0.15 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2div s SER 6 Cb -0.07 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.55 2div s SER 6 CO 0.06 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2div n GLY 7 N 5.39 -0.25 2.88 3.44 0.00 -1.26 -4.81 105.19 110.57 2div n GLY 7 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2div n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2div n MET 8 N -1.12 2.79 -0.10 1.61 0.00 -1.26 -4.57 117.12 114.46 2div n MET 8 Ca 0.00 -3.57 -0.23 0.00 -0.00 0.00 0.00 57.70 53.91 2div n MET 8 Cb 0.00 -2.27 -0.12 0.00 0.00 0.00 0.00 33.22 30.83 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 -0.55 0.84 -0.47 -5.12 0.00 -1.26 -4.25 120.51 109.70 2div n ALA 9 Ca 0.53 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2div n ALA 9 Cb 0.27 -0.50 0.19 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.47 4.19 -2.52 0.00 0.00 -1.26 -4.65 120.51 112.80 2div n ALA 10 Ca -0.35 -1.75 -0.24 0.00 0.00 0.00 0.00 53.44 51.10 2div n ALA 10 Cb 0.73 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.58 4.36 0.10 0.00 0.01 -1.26 -1.74 113.70 114.59 2div s SER 11 Ca 0.39 -0.94 0.06 0.00 1.31 0.00 0.00 55.95 56.77 2div s SER 11 Cb 0.32 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 2div s SER 11 CO 0.09 -0.31 -0.15 -0.76 0.41 0.00 0.00 173.24 172.53 2div s LEU 12 N -3.78 2.35 -0.02 2.44 1.43 0.04 -4.20 118.68 116.95 2div s LEU 12 Ca 0.37 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 2div s LEU 12 Cb -0.00 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 2div s LEU 12 CO 0.21 -0.10 0.56 0.86 0.23 0.00 0.00 176.35 178.11 2div s TRP 13 N -1.74 3.67 -0.32 0.29 -0.00 -0.00 -2.14 118.94 118.70 2div s TRP 13 Ca 0.05 1.14 -0.01 0.00 -0.00 0.00 0.00 56.10 57.27 2div s TRP 13 Cb -0.07 -2.56 0.11 0.00 -0.00 0.00 0.00 33.47 30.94 2div s TRP 13 CO 0.03 0.37 0.12 1.41 -0.00 0.00 0.00 176.95 178.88 2div s MET 14 N -0.22 0.62 0.00 5.86 -2.45 -0.75 -1.55 119.30 120.82 2div s MET 14 Ca 0.29 -1.03 0.00 0.00 -1.25 0.00 0.00 55.69 53.70 2div s MET 14 Cb -0.18 -1.77 0.00 0.00 1.25 0.00 0.00 34.83 34.14 2div s MET 14 CO 0.16 -1.02 0.00 0.41 1.05 0.00 0.00 175.02 175.61 2div n GLY 15 N 4.79 2.65 3.68 2.11 0.00 -1.19 -0.02 105.19 117.20 2div n GLY 15 Ca -0.01 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 2div n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2div n ASP 16 N 0.00 -4.07 -4.90 1.61 -0.08 -0.22 -4.67 116.55 104.22 2div n ASP 16 Ca 0.00 -0.62 -0.29 0.00 -1.51 0.00 0.00 54.79 52.37 2div n ASP 16 Cb 0.00 -3.32 -0.03 0.00 2.34 0.00 0.00 41.12 40.12 2div n ASP 16 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2div s LEU 17 N -6.88 3.98 0.64 -2.67 1.43 -0.01 -4.98 118.68 110.19 2div s LEU 17 Ca 0.54 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 2div s LEU 17 Cb -0.28 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2div s LEU 17 CO 0.67 -0.26 1.04 -1.61 0.23 0.00 0.00 176.35 176.41 2div s GLU 18 N -3.70 3.44 0.00 1.70 0.41 -1.26 -4.68 118.70 114.60 2div s GLU 18 Ca 0.46 0.81 0.12 0.00 -0.41 0.00 0.00 54.97 55.95 2div s GLU 18 Cb -0.11 -2.06 0.69 0.00 -1.78 0.00 0.00 34.13 30.88 2div s GLU 18 CO 0.31 -0.70 1.12 -0.35 -0.49 0.00 0.00 175.26 175.15 2div n PRO 19 N -2.81 0.49 -1.23 0.39 -0.04 -1.26 -2.36 135.00 128.17 2div n PRO 19 Ca 0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2div n PRO 19 Cb 0.54 -1.37 0.12 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.87 0.46 -3.53 0.54 0.18 -1.26 -4.81 117.16 107.88 2div n TYR 20 Ca 0.09 -1.35 -0.42 0.00 1.88 0.00 0.00 57.90 58.10 2div n TYR 20 Cb 0.04 -0.23 -0.09 0.00 -0.38 0.00 0.00 39.34 38.68 2div n TYR 20 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 2div s MET 21 N -2.37 2.72 0.35 -3.48 -1.94 -1.00 -4.91 119.30 108.68 2div s MET 21 Ca 0.38 -1.46 0.08 0.00 -1.71 0.00 0.00 55.69 52.98 2div s MET 21 Cb 0.38 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 2div s MET 21 CO -0.08 -1.00 0.28 -0.51 -0.01 0.00 0.00 175.02 173.69 2div s ASP 22 N 2.35 5.12 0.45 3.03 1.11 -1.26 -4.85 116.67 122.63 2div s ASP 22 Ca 0.03 -0.60 0.39 0.00 0.18 0.00 0.00 52.55 52.55 2div s ASP 22 Cb -0.24 -0.85 1.47 0.00 1.07 0.00 0.00 42.92 44.37 2div s ASP 22 CO 0.03 -0.40 1.40 -0.62 1.18 0.00 0.00 175.17 176.76 2div n GLU 23 N -1.37 -0.01 0.08 8.23 1.02 -1.26 0.88 120.64 128.21 2div n GLU 23 Ca -0.01 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 58.05 2div n GLU 23 Cb 0.60 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.22 0.35 1.62 2.35 -1.97 -2.32 115.58 115.39 2div h ASN 24 Ca 0.82 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2div h ASN 24 Cb 3.04 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 41.44 2div h ASN 24 CO -0.18 0.28 -0.47 0.15 -1.65 0.00 0.00 177.43 175.56 2div h PHE 25 N -0.81 -1.31 -0.48 1.19 3.04 0.14 0.30 116.94 119.01 2div h PHE 25 Ca -0.03 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2div h PHE 25 Cb 0.52 0.53 -0.09 0.00 2.56 0.00 0.00 35.95 39.46 2div h PHE 25 CO 0.07 -0.61 -0.12 0.82 -2.02 0.00 0.00 178.31 176.45 2div h ILE 26 N -0.86 0.52 -0.76 1.41 1.08 -1.45 0.63 117.51 118.08 2div h ILE 26 Ca -0.03 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2div h ILE 26 Cb 0.79 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 2div h ILE 26 CO -0.13 0.00 0.50 0.77 -0.69 0.00 0.00 178.15 178.60 2div h SER 27 N 0.00 0.74 -0.35 1.72 4.64 -1.07 -2.10 113.55 117.13 2div h SER 27 Ca 0.23 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 2div h SER 27 Cb 0.35 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2div h SER 27 CO -0.50 0.49 0.11 0.03 -0.87 0.00 0.00 176.83 176.09 2div h ARG 28 N 0.85 0.54 0.21 4.77 3.08 0.13 -1.29 114.38 122.66 2div h ARG 28 Ca 0.32 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.27 2div h ARG 28 Cb 0.19 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2div h ARG 28 CO -0.11 0.56 -0.46 0.00 -1.07 0.00 0.00 179.97 178.90 2div h ALA 29 N 0.95 -0.88 0.15 0.04 0.00 -0.57 0.32 119.26 119.27 2div h ALA 29 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2div h ALA 29 Cb 0.24 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2div h ALA 29 CO -0.00 -1.06 -0.18 0.74 0.00 0.00 0.00 179.25 178.75 2div h PHE 30 N -0.75 -0.48 -0.95 0.00 0.04 -1.50 -2.08 116.94 111.22 2div h PHE 30 Ca -0.00 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.92 2div h PHE 30 Cb 0.74 0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.98 2div h PHE 30 CO -0.35 -0.27 0.56 0.00 -0.60 0.00 0.00 178.31 177.64 2div h ALA 31 N 0.41 1.47 -0.71 2.45 0.00 -0.92 0.29 119.26 122.25 2div h ALA 31 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2div h ALA 31 Cb 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2div h ALA 31 CO -0.06 0.04 0.36 1.15 0.00 0.00 0.00 179.25 180.74 2div h THR 32 N 0.81 1.22 -0.00 0.00 2.02 0.17 -0.63 112.91 116.49 2div h THR 32 Ca 0.51 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2div h THR 32 Cb 0.65 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2div h THR 32 CO -0.33 0.26 0.00 0.23 0.37 0.00 0.00 175.52 176.05 2div n MET 33 N -4.35 1.02 -2.44 6.66 2.00 -0.08 -4.86 117.12 115.08 2div n MET 33 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.74 2div n MET 33 Cb 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.07 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 0.78 0.95 2.99 3.03 0.00 -0.24 -5.07 105.19 107.63 2div n GLY 34 Ca 0.13 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.87 1.87 -0.81 1.61 2.02 -0.22 -4.98 118.70 113.31 2div s GLU 35 Ca 0.00 -0.42 -0.23 0.00 0.02 0.00 0.00 54.97 54.34 2div s GLU 35 Cb 0.00 -1.71 0.07 0.00 0.10 0.00 0.00 34.13 32.60 2div s GLU 35 CO 0.00 -0.14 1.17 0.99 0.02 0.00 0.00 175.26 177.30 2div s THR 36 N 1.23 4.20 0.29 3.63 2.01 -1.26 -2.49 115.64 123.25 2div s THR 36 Ca -0.03 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 2div s THR 36 Cb -0.14 -4.83 -0.10 0.00 0.01 0.00 0.00 72.50 67.44 2div s THR 36 CO -0.04 -1.65 1.14 0.54 -0.69 0.00 0.00 174.62 173.92 2div s VAL 37 N 4.31 3.32 -0.14 3.82 0.11 -1.26 -4.88 120.40 125.68 2div s VAL 37 Ca 0.32 1.33 -0.19 0.00 -2.93 0.00 0.00 61.98 60.51 2div s VAL 37 Cb -0.09 -3.84 -0.17 0.00 -1.53 0.00 0.00 36.38 30.75 2div s VAL 37 CO 0.03 0.31 0.43 0.24 -3.33 0.00 0.00 175.10 172.78 2div h MET 38 N 3.70 0.00 -3.49 1.54 2.86 -1.66 -3.50 114.93 114.38 2div h MET 38 Ca -0.47 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.12 2div h MET 38 Cb 1.21 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.77 2div h MET 38 CO 0.66 0.67 -0.08 0.45 1.06 0.00 0.00 176.91 179.68 2div s SER 39 N -6.10 -0.16 -0.12 1.22 0.15 -1.24 -4.94 113.70 102.51 2div s SER 39 Ca -0.15 -0.63 -0.07 0.00 0.70 0.00 0.00 55.95 55.80 2div s SER 39 Cb -0.01 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2div s SER 39 CO 0.46 -1.02 0.29 0.54 1.20 0.00 0.00 173.24 174.71 2div s VAL 40 N -3.91 -0.03 -0.18 4.45 0.11 -1.26 -1.52 120.40 118.06 2div s VAL 40 Ca 0.13 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2div s VAL 40 Cb 0.00 -0.44 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2div s VAL 40 CO -0.01 0.05 -0.16 -0.75 -3.33 0.00 0.00 175.10 170.91 2div s LYS 41 N 1.18 2.52 -0.33 1.54 2.20 -0.39 -4.82 119.74 121.64 2div s LYS 41 Ca -0.08 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.58 2div s LYS 41 Cb -0.09 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.84 2div s LYS 41 CO -0.09 -0.28 0.54 0.42 -0.36 0.00 0.00 175.35 175.59 2div s ILE 42 N 1.37 5.00 -0.59 5.43 -1.09 -1.26 -1.54 121.20 128.52 2div s ILE 42 Ca 0.03 0.52 -0.28 0.00 -2.23 0.00 0.00 60.65 58.70 2div s ILE 42 Cb -0.14 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 2div s ILE 42 CO -0.11 -0.17 1.48 -0.63 -1.23 0.00 0.00 174.94 174.28 2div s ILE 43 N 2.45 3.70 0.29 2.92 -1.09 -1.14 -4.98 121.20 123.34 2div s ILE 43 Ca 0.21 0.55 0.10 0.00 -2.23 0.00 0.00 60.65 59.28 2div s ILE 43 Cb -0.15 -4.41 -0.05 0.00 -1.58 0.00 0.00 42.46 36.27 2div s ILE 43 CO 0.13 -1.20 -0.15 -0.13 -1.23 0.00 0.00 174.94 172.35 2div s ARG 44 N 5.78 1.68 0.89 2.79 0.52 -1.26 0.56 118.95 129.91 2div s ARG 44 Ca 0.53 -1.81 -0.13 0.00 -0.52 0.00 0.00 55.73 53.80 2div s ARG 44 Cb -0.11 -1.63 0.13 0.00 0.52 0.00 0.00 34.95 33.86 2div s ARG 44 CO 0.23 0.23 1.18 1.21 0.02 0.00 0.00 175.30 178.17 2div s ASN 45 N -3.52 3.74 -0.16 0.23 3.84 -0.49 -4.88 114.94 113.70 2div s ASN 45 Ca 0.30 0.77 0.10 0.00 0.21 0.00 0.00 52.86 54.24 2div s ASN 45 Cb -0.01 -1.21 -0.23 0.00 -0.55 0.00 0.00 41.25 39.24 2div s ASN 45 CO 0.14 -2.39 0.22 -1.14 -2.79 0.00 0.00 177.10 171.14 2div n ARG 46 N -3.63 0.68 -0.11 0.43 0.00 -1.26 -2.89 116.66 109.88 2div n ARG 46 Ca 0.09 0.14 -0.24 0.00 -0.00 0.00 0.00 57.85 57.84 2div n ARG 46 Cb 0.60 -1.62 -0.11 0.00 0.00 0.00 0.00 32.46 31.33 2div n ARG 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2div n LEU 47 N -3.02 1.96 0.14 6.15 7.99 -1.26 -4.40 117.00 124.56 2div n LEU 47 Ca -0.31 0.38 0.08 0.00 -0.01 0.00 0.00 56.01 56.15 2div n LEU 47 Cb 1.08 -0.94 0.06 0.00 -0.11 0.00 0.00 43.42 43.51 2div n LEU 47 CO 0.40 0.40 0.37 0.71 -1.51 0.00 0.00 177.39 177.76 2div h THR 48 N -0.91 0.25 -0.40 -5.08 1.35 -1.99 -3.47 112.91 102.66 2div h THR 48 Ca -0.45 -1.40 -0.15 0.00 -0.55 0.00 0.00 66.41 63.86 2div h THR 48 Cb 1.44 1.95 -0.06 0.00 -1.73 0.00 0.00 68.15 69.76 2div h THR 48 CO -0.25 0.14 -0.14 0.61 -0.25 0.00 0.00 175.52 175.64 2div n GLY 49 N 1.19 0.69 3.79 5.82 0.00 -1.14 -4.89 105.19 110.66 2div n GLY 49 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.57 4.75 -0.19 -0.61 1.01 -1.26 -4.46 121.20 118.87 2div s ILE 50 Ca 0.00 1.27 -0.29 0.00 0.00 0.00 0.00 60.65 61.63 2div s ILE 50 Cb 0.00 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2div s ILE 50 CO 0.00 0.51 1.58 -2.16 0.00 0.00 0.00 174.94 174.88 2div s PRO 51 N -0.85 3.91 0.55 2.79 0.04 -1.26 -1.40 135.00 138.78 2div s PRO 51 Ca 0.30 1.75 0.47 0.00 0.04 0.00 0.00 61.00 63.56 2div s PRO 51 Cb -0.19 -4.00 1.60 0.00 0.04 0.00 0.00 34.50 31.95 2div s PRO 51 CO 0.19 -1.15 1.49 0.00 0.04 0.00 0.00 177.00 177.57 2div n ALA 52 N 8.01 1.75 0.00 8.56 0.00 0.19 -4.62 120.51 134.41 2div n ALA 52 Ca 0.18 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.22 2div n ALA 52 Cb 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.88 1.87 3.40 0.00 0.00 -1.26 -5.00 105.19 102.33 2div n GLY 53 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.45 0.04 1.61 1.13 -1.26 -0.83 117.35 115.59 2div s TYR 54 Ca 0.00 0.52 -0.07 0.00 -1.41 0.00 0.00 57.07 56.11 2div s TYR 54 Cb 0.00 0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 2div s TYR 54 CO 0.00 -0.65 0.13 0.00 -2.51 0.00 0.00 175.55 172.52 2div s PHE 56 N -2.63 3.58 -0.07 0.00 0.08 -0.59 -1.80 117.98 116.55 2div s PHE 56 Ca -0.05 0.51 0.05 0.00 0.12 0.00 0.00 56.93 57.57 2div s PHE 56 Cb -0.01 -1.93 -0.00 0.00 -0.57 0.00 0.00 43.02 40.50 2div s PHE 56 CO -0.05 0.73 -0.22 0.14 -0.10 0.00 0.00 175.22 175.72 2div s VAL 57 N -1.03 1.86 0.14 -0.44 -7.23 -0.91 -1.26 120.40 111.52 2div s VAL 57 Ca 0.15 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 2div s VAL 57 Cb -0.12 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2div s VAL 57 CO 0.04 0.52 0.28 -0.70 -0.31 0.00 0.00 175.10 174.93 2div s GLU 58 N 0.10 3.45 0.25 4.82 2.12 -0.58 -0.78 118.70 128.09 2div s GLU 58 Ca -0.09 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 2div s GLU 58 Cb -0.15 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 2div s GLU 58 CO 0.05 0.53 0.27 -0.06 -0.54 0.00 0.00 175.26 175.51 2div s PHE 59 N -1.71 1.05 0.19 5.30 0.40 -0.71 -1.57 117.98 120.93 2div s PHE 59 Ca 0.35 -1.26 -0.18 0.00 -0.60 0.00 0.00 56.93 55.24 2div s PHE 59 Cb -0.11 -0.35 0.14 0.00 0.51 0.00 0.00 43.02 43.20 2div s PHE 59 CO 0.28 -0.82 1.62 0.00 0.70 0.00 0.00 175.22 177.00 2div h ALA 60 N 2.41 0.12 -2.92 5.36 0.00 -1.90 -3.46 119.26 118.86 2div h ALA 60 Ca -0.31 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2div h ALA 60 Cb 1.25 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2div h ALA 60 CO 0.45 -0.57 0.31 0.16 0.00 0.00 0.00 179.25 179.60 2div s ASP 61 N -5.16 -0.04 0.10 0.00 1.47 -1.26 -5.01 116.67 106.77 2div s ASP 61 Ca -0.14 -0.99 -0.21 0.00 1.18 0.00 0.00 52.55 52.39 2div s ASP 61 Cb 0.16 0.78 -0.09 0.00 -0.34 0.00 0.00 42.92 43.43 2div s ASP 61 CO 0.71 -1.54 1.71 0.25 0.68 0.00 0.00 175.17 176.98 2div h LEU 62 N 2.00 0.19 -0.48 2.11 5.85 -1.83 -1.31 115.31 121.84 2div h LEU 62 Ca -0.29 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2div h LEU 62 Cb 1.25 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 2div h LEU 62 CO 0.37 0.21 -0.36 0.00 -0.34 0.00 0.00 178.44 178.31 2div h ALA 63 N 0.99 -0.21 -0.57 1.25 0.00 -1.97 0.90 119.26 119.66 2div h ALA 63 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2div h ALA 63 Cb 0.05 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2div h ALA 63 CO -0.01 -0.75 0.26 1.15 0.00 0.00 0.00 179.25 179.90 2div h THR 64 N -0.24 1.21 -0.93 0.00 2.02 -1.95 -2.60 112.91 110.44 2div h THR 64 Ca 0.19 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.85 2div h THR 64 Cb 0.56 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 2div h THR 64 CO -0.61 0.25 0.59 0.00 0.37 0.00 0.00 175.52 176.12 2div h ALA 65 N 1.10 1.63 0.22 6.16 0.00 0.03 0.99 119.26 129.39 2div h ALA 65 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2div h ALA 65 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2div h ALA 65 CO -0.02 0.16 -0.10 0.93 0.00 0.00 0.00 179.25 180.22 2div h GLU 66 N 0.90 -0.28 -0.47 0.00 5.08 -0.50 0.51 114.58 119.82 2div h GLU 66 Ca 0.44 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.96 2div h GLU 66 Cb 0.47 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2div h GLU 66 CO -0.20 -0.19 0.42 0.87 -1.00 0.00 0.00 179.01 178.91 2div h LYS 67 N -0.33 0.00 0.00 2.33 6.56 -1.41 0.72 116.57 124.45 2div h LYS 67 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2div h LYS 67 Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2div h LYS 67 CO 0.05 0.00 -0.53 0.00 -2.06 0.00 0.00 179.45 176.91 2div n LEU 69 N -2.33 0.57 0.09 0.00 7.94 0.23 -4.00 117.00 119.49 2div n LEU 69 Ca 0.03 0.25 0.12 0.00 -1.11 0.00 0.00 56.01 55.30 2div n LEU 69 Cb 0.47 0.13 0.12 0.00 0.53 0.00 0.00 43.42 44.66 2div n LEU 69 CO 0.36 0.17 0.28 0.45 -1.11 0.00 0.00 177.39 177.54 2div h HIS 70 N 0.00 0.00 0.00 1.96 3.86 -0.90 -0.92 115.15 119.15 2div h HIS 70 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2div h HIS 70 Cb 1.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.05 2div h HIS 70 CO 0.00 0.00 -0.18 1.57 0.86 0.00 0.00 177.93 180.18 2div h LYS 71 N 0.00 0.00 0.00 2.45 5.09 -1.68 -3.31 116.57 119.12 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 0.85 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.18 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 -2.89 0.00 -2.00 0.07 -5.35 -1.24 -4.76 119.36 103.18 2div n ILE 72 Ca 0.04 -0.47 -0.26 0.00 -0.27 0.00 0.00 62.75 61.79 2div n ILE 72 Cb 0.52 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.37 2div n ILE 72 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2div s ASN 73 N -0.65 4.87 0.00 7.28 3.84 -0.35 -1.85 114.94 128.08 2div s ASN 73 Ca 0.00 -1.30 0.00 0.00 0.21 0.00 0.00 52.86 51.77 2div s ASN 73 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2div s ASN 73 CO 0.00 -3.18 0.00 0.61 -2.79 0.00 0.00 177.10 171.74 2div n GLY 74 N 6.13 1.58 3.85 1.21 0.00 -1.21 -4.96 105.19 111.79 2div n GLY 74 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 3.76 0.09 1.61 -0.14 -0.77 -4.74 119.74 119.56 2div s LYS 75 Ca 0.00 0.87 -0.31 0.00 -1.36 0.00 0.00 55.97 55.17 2div s LYS 75 Cb 0.00 -2.11 -0.07 0.00 -1.68 0.00 0.00 37.83 33.97 2div s LYS 75 CO 0.00 -0.43 1.38 -1.25 -0.76 0.00 0.00 175.35 174.28 2div s PRO 76 N -4.57 4.33 -0.12 -1.68 0.04 -1.26 -0.09 135.00 131.64 2div s PRO 76 Ca 0.57 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 2div s PRO 76 Cb -0.11 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2div s PRO 76 CO 0.42 -0.44 0.86 -1.17 0.04 0.00 0.00 177.00 176.71 2div s LEU 77 N 1.29 4.23 0.77 -3.56 2.96 -0.24 -4.74 118.68 119.39 2div s LEU 77 Ca 0.64 1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 55.75 2div s LEU 77 Cb -0.35 -3.31 0.06 0.00 0.50 0.00 0.00 46.19 43.08 2div s LEU 77 CO 0.30 -0.35 1.09 -2.16 -1.32 0.00 0.00 176.35 173.91 2div s PRO 78 N 1.77 2.26 0.00 0.98 0.04 -1.26 -3.78 135.00 135.01 2div s PRO 78 Ca 0.42 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2div s PRO 78 Cb -0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2div s PRO 78 CO 0.16 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2div n GLY 79 N -1.19 1.30 2.51 0.56 0.00 -1.26 -4.83 105.19 102.27 2div n GLY 79 Ca 0.09 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.71 -3.30 4.61 0.00 -1.25 -4.89 120.51 113.97 2div n ALA 80 Ca 0.00 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 2div n ALA 80 Cb 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.02 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 1.15 2.83 0.09 0.00 2.01 -1.26 -2.34 115.64 118.12 2div s THR 81 Ca 0.68 -0.72 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2div s THR 81 Cb -0.97 -2.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.26 2div s THR 81 CO 0.49 0.51 1.41 1.55 -0.69 0.00 0.00 174.62 177.89 2div h PRO 82 N 7.10 0.64 -1.46 4.92 0.13 -2.02 -3.48 132.00 137.83 2div h PRO 82 Ca -0.30 -0.34 0.10 0.00 -0.87 0.00 0.00 66.00 64.60 2div h PRO 82 Cb 1.20 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2div h PRO 82 CO 0.56 0.94 0.56 0.00 -0.23 0.00 0.00 178.00 179.83 2div s ALA 83 N -4.35 -2.08 0.31 -0.56 0.00 -0.99 -4.98 121.76 109.11 2div s ALA 83 Ca -0.13 1.87 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2div s ALA 83 Cb 0.08 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 2div s ALA 83 CO 0.82 -0.22 0.16 0.15 0.00 0.00 0.00 175.76 176.67 2div s LYS 84 N 0.31 1.61 -0.07 0.00 1.02 -1.26 -5.05 119.74 116.30 2div s LYS 84 Ca 0.03 -1.92 -0.00 0.00 0.02 0.00 0.00 55.97 54.09 2div s LYS 84 Cb -0.05 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.10 2div s LYS 84 CO -0.09 -0.45 -0.03 0.50 -0.92 0.00 0.00 175.35 174.36 2div s ARG 85 N -3.81 2.85 -0.49 1.68 6.06 -1.26 -1.08 118.95 122.89 2div s ARG 85 Ca 0.35 -0.49 -0.27 0.00 -2.50 0.00 0.00 55.73 52.82 2div s ARG 85 Cb 0.05 -2.68 -0.08 0.00 0.06 0.00 0.00 34.95 32.30 2div s ARG 85 CO 0.17 0.68 2.42 1.19 -2.50 0.00 0.00 175.30 177.26 2div n PHE 86 N 2.11 1.43 -3.01 5.12 3.72 0.87 -4.72 117.46 122.98 2div n PHE 86 Ca -0.18 0.11 -0.44 0.00 -0.05 0.00 0.00 57.45 56.89 2div n PHE 86 Cb 0.53 -2.63 -0.04 0.00 -0.94 0.00 0.00 39.48 36.40 2div n PHE 86 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2div s LYS 87 N 8.14 3.11 0.07 -1.08 2.47 -1.26 -3.32 119.74 127.87 2div s LYS 87 Ca 1.00 -1.19 0.07 0.00 -1.56 0.00 0.00 55.97 54.30 2div s LYS 87 Cb -0.25 -4.30 -0.03 0.00 -1.46 0.00 0.00 37.83 31.80 2div s LYS 87 CO 0.28 -1.66 -0.20 -0.51 0.16 0.00 0.00 175.35 173.42 2div s LEU 88 N 3.17 2.22 0.11 5.43 1.43 -1.26 -3.18 118.68 126.60 2div s LEU 88 Ca 0.17 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 2div s LEU 88 Cb -0.20 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.17 2div s LEU 88 CO 0.06 0.10 0.46 0.20 0.23 0.00 0.00 176.35 177.41 2div s ASN 89 N -1.49 -0.34 0.27 2.29 0.02 -0.59 -4.98 114.94 110.12 2div s ASN 89 Ca 0.06 -0.14 -0.30 0.00 -1.02 0.00 0.00 52.86 51.46 2div s ASN 89 Cb -0.09 0.50 -0.12 0.00 0.02 0.00 0.00 41.25 41.55 2div s ASN 89 CO 0.03 -0.84 1.54 -1.22 0.02 0.00 0.00 177.10 176.63 2div n TYR 90 N -0.09 2.64 0.24 2.20 4.01 -1.26 -0.82 117.16 124.08 2div n TYR 90 Ca -0.17 0.30 0.13 0.00 -0.16 0.00 0.00 57.90 58.00 2div n TYR 90 Cb 0.63 -2.56 0.67 0.00 -0.31 0.00 0.00 39.34 37.77 2div n TYR 90 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2div h ALA 91 N 4.69 1.17 -0.98 -0.72 0.00 -1.88 -0.72 119.26 120.82 2div h ALA 91 Ca -0.46 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 2div h ALA 91 Cb 1.24 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.71 2div h ALA 91 CO 0.79 -0.17 0.54 -2.37 0.00 0.00 0.00 179.25 178.03 2div n THR 92 N -2.50 3.38 -0.79 0.00 5.66 -1.26 -4.75 114.28 114.02 2div n THR 92 Ca -0.02 -3.48 -0.10 0.00 -3.05 0.00 0.00 64.05 57.41 2div n THR 92 Cb 0.24 -1.17 -0.01 0.00 -1.55 0.00 0.00 70.33 67.84 2div n THR 92 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2div n TYR 93 N -0.80 0.67 -2.80 1.09 4.11 -0.28 -4.84 117.16 114.32 2div n TYR 93 Ca 0.57 -1.48 -0.43 0.00 -0.00 0.00 0.00 57.90 56.56 2div n TYR 93 Cb 0.64 -0.88 -0.03 0.00 -0.00 0.00 0.00 39.34 39.07 2div n TYR 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 2div s SER 94 N 1.22 6.26 0.00 9.48 1.04 -1.26 -4.83 113.70 125.61 2div s SER 94 Ca 0.25 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2div s SER 94 Cb 0.16 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2div s SER 94 CO -0.02 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.35 2div n GLY 95 N 5.47 2.27 0.23 7.32 0.00 -1.26 -4.67 105.19 114.54 2div n GLY 95 Ca 0.04 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 2div n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2div h PRO 96 N 0.00 0.61 0.30 1.61 0.13 -2.01 -3.32 132.00 129.32 2div h PRO 96 Ca 0.00 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2div h PRO 96 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2div h PRO 96 CO 0.00 0.93 -0.19 1.03 -0.23 0.00 0.00 178.00 179.54 2div h SER 97 N 0.50 -0.47 -1.33 1.44 0.87 -2.00 -3.42 113.55 109.14 2div h SER 97 Ca 0.04 0.03 -0.75 0.00 -1.23 0.00 0.00 61.79 59.87 2div h SER 97 Cb 0.95 0.14 0.04 0.00 -0.44 0.00 0.00 62.40 63.09 2div h SER 97 CO 0.09 -0.28 0.39 -1.20 -0.53 0.00 0.00 176.83 175.29 2div n SER 98 N -3.41 1.06 0.00 6.23 7.64 -1.25 -5.19 113.62 118.70 2div n SER 98 Ca -0.06 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2div n SER 98 Cb 0.19 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2div n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64