#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2div n SER 2 N 0.00 5.55 -4.05 1.61 7.64 -1.26 -5.01 113.62 118.10 2div n SER 2 Ca 0.00 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 56.02 2div n SER 2 Cb 0.00 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 2div n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2div s SER 3 N -3.11 0.11 -0.15 6.43 0.15 -1.26 -5.18 113.70 110.70 2div s SER 3 Ca 0.53 -1.05 -0.31 0.00 0.70 0.00 0.00 55.95 55.82 2div s SER 3 Cb 0.43 0.41 0.13 0.00 -1.71 0.00 0.00 66.02 65.28 2div s SER 3 CO -0.04 -0.87 1.07 -0.83 1.20 0.00 0.00 173.24 173.77 2div s GLY 4 N -3.03 -0.27 0.10 9.45 0.00 -1.26 -5.16 107.32 107.16 2div s GLY 4 Ca 0.23 1.80 -0.19 0.00 0.00 0.00 0.00 44.72 46.56 2div s GLY 4 CO 0.03 0.76 0.59 -0.56 0.00 0.00 0.00 173.10 173.93 2div s SER 5 N -1.66 7.04 -0.15 1.64 0.01 -1.26 -5.01 113.70 114.30 2div s SER 5 Ca 0.04 1.26 -0.12 0.00 1.31 0.00 0.00 55.95 58.44 2div s SER 5 Cb -0.01 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2div s SER 5 CO -0.04 0.22 -0.22 -0.24 0.41 0.00 0.00 173.24 173.38 2div n SER 6 N 1.48 1.84 0.00 2.44 2.88 -1.26 -5.07 113.62 115.94 2div n SER 6 Ca -0.09 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2div n SER 6 Cb 0.51 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2div n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2div n GLY 7 N 1.57 -1.83 3.52 0.46 0.00 -1.26 -5.06 105.19 102.59 2div n GLY 7 Ca -0.10 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2div n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2div s MET 8 N -0.26 3.44 -0.08 1.61 1.00 -1.26 -4.73 119.30 119.02 2div s MET 8 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 55.69 54.55 2div s MET 8 Cb 0.00 -4.85 -0.04 0.00 0.00 0.00 0.00 34.83 29.94 2div s MET 8 CO 0.00 -2.04 -0.18 0.00 0.00 0.00 0.00 175.02 172.80 2div n ALA 9 N 8.26 1.95 0.28 3.03 0.00 -1.26 -4.62 120.51 128.15 2div n ALA 9 Ca 0.19 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 53.16 2div n ALA 9 Cb 0.49 0.20 0.14 0.00 0.00 0.00 0.00 19.45 20.28 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 -3.88 3.11 -2.52 0.00 0.00 -1.26 -4.49 120.51 111.47 2div n ALA 10 Ca -0.15 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.30 2div n ALA 10 Cb 0.42 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.22 4.63 0.13 0.00 0.01 -1.26 -1.38 113.70 115.61 2div s SER 11 Ca 0.20 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.72 2div s SER 11 Cb 0.16 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2div s SER 11 CO 0.06 -0.29 -0.13 -0.76 0.41 0.00 0.00 173.24 172.52 2div s LEU 12 N -3.83 2.45 -0.09 2.44 1.43 0.50 -4.34 118.68 117.24 2div s LEU 12 Ca 0.37 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2div s LEU 12 Cb -0.02 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 2div s LEU 12 CO 0.22 -0.20 0.32 0.86 0.23 0.00 0.00 176.35 177.78 2div s TRP 13 N -2.51 3.60 -0.31 0.29 -0.00 -0.78 -1.64 118.94 117.59 2div s TRP 13 Ca 0.12 0.75 -0.02 0.00 -0.00 0.00 0.00 56.10 56.95 2div s TRP 13 Cb -0.03 -2.25 0.10 0.00 -0.00 0.00 0.00 33.47 31.30 2div s TRP 13 CO 0.03 0.50 0.12 1.41 -0.00 0.00 0.00 176.95 179.00 2div s MET 14 N -0.43 0.55 0.00 5.86 -2.45 -0.58 -1.88 119.30 120.38 2div s MET 14 Ca 0.19 -0.94 0.00 0.00 -1.25 0.00 0.00 55.69 53.70 2div s MET 14 Cb -0.14 -1.70 0.00 0.00 1.25 0.00 0.00 34.83 34.23 2div s MET 14 CO 0.08 -1.01 0.00 0.41 1.05 0.00 0.00 175.02 175.55 2div n GLY 15 N 4.90 1.85 4.00 2.11 0.00 -1.16 -0.26 105.19 116.63 2div n GLY 15 Ca -0.02 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.86 -4.98 1.61 8.00 -0.95 -4.68 116.55 111.69 2div n ASP 16 Ca 0.00 -0.87 -0.20 0.00 0.71 0.00 0.00 54.79 54.43 2div n ASP 16 Cb 0.00 -3.50 0.03 0.00 -0.02 0.00 0.00 41.12 37.62 2div n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2div s LEU 17 N -7.23 3.42 0.22 0.64 1.43 0.11 -4.98 118.68 112.30 2div s LEU 17 Ca 0.61 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 2div s LEU 17 Cb -0.31 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2div s LEU 17 CO 0.86 -0.98 0.17 -1.61 0.23 0.00 0.00 176.35 175.02 2div s GLU 18 N -4.63 2.90 0.00 1.70 0.41 -1.26 -4.79 118.70 113.02 2div s GLU 18 Ca 0.55 -1.00 0.15 0.00 -0.41 0.00 0.00 54.97 54.26 2div s GLU 18 Cb -0.10 -2.58 0.67 0.00 -1.78 0.00 0.00 34.13 30.34 2div s GLU 18 CO 0.37 0.43 1.44 -0.35 -0.49 0.00 0.00 175.26 176.66 2div n PRO 19 N -0.87 0.10 -0.00 0.39 -0.04 -1.26 -2.06 135.00 131.25 2div n PRO 19 Ca -0.08 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2div n PRO 19 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.40 0.00 -2.54 0.54 0.18 -1.26 -4.92 117.16 107.76 2div n TYR 20 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 2div n TYR 20 Cb 0.15 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 38.87 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 -3.00 4.49 0.29 -3.48 -1.94 -0.87 -5.02 119.30 109.76 2div s MET 21 Ca 0.00 1.62 0.05 0.00 -1.71 0.00 0.00 55.69 55.66 2div s MET 21 Cb 0.13 -3.39 -0.06 0.00 2.01 0.00 0.00 34.83 33.52 2div s MET 21 CO 0.76 -0.17 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.08 2div s ASP 22 N 1.04 2.48 0.22 3.03 1.01 -1.26 -4.86 116.67 118.33 2div s ASP 22 Ca 0.56 -1.26 -0.13 0.00 0.71 0.00 0.00 52.55 52.42 2div s ASP 22 Cb -0.26 -0.11 0.28 0.00 1.01 0.00 0.00 42.92 43.84 2div s ASP 22 CO 0.29 -0.47 1.41 -0.62 0.21 0.00 0.00 175.17 175.99 2div n GLU 23 N -0.59 -0.17 -0.29 8.23 1.02 -1.26 0.14 120.64 127.72 2div n GLU 23 Ca -0.04 1.40 0.08 0.00 -0.02 0.00 0.00 57.16 58.57 2div n GLU 23 Cb 0.65 -2.08 0.23 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.45 0.34 1.62 2.35 -1.96 0.13 115.58 118.51 2div h ASN 24 Ca 0.35 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 56.19 2div h ASN 24 Cb 0.58 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2div h ASN 24 CO -0.91 0.16 -0.16 0.15 -1.65 0.00 0.00 177.43 175.02 2div h PHE 25 N 0.55 -0.43 -0.91 1.19 3.04 0.89 -2.37 116.94 118.91 2div h PHE 25 Ca 0.47 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.56 2div h PHE 25 Cb 0.71 0.14 -0.09 0.00 2.56 0.00 0.00 35.95 39.26 2div h PHE 25 CO -0.11 -0.10 0.52 0.82 -2.02 0.00 0.00 178.31 177.41 2div h ILE 26 N -0.79 0.77 -0.78 1.41 1.08 -0.49 -0.13 117.51 118.58 2div h ILE 26 Ca -0.05 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2div h ILE 26 Cb 0.52 -0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 2div h ILE 26 CO 0.08 0.13 0.38 0.77 -0.69 0.00 0.00 178.15 178.82 2div h SER 27 N 0.73 1.02 -0.58 1.72 4.64 -0.73 -2.60 113.55 117.76 2div h SER 27 Ca 0.50 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 2div h SER 27 Cb 0.67 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2div h SER 27 CO -0.34 0.87 0.03 0.03 -0.87 0.00 0.00 176.83 176.55 2div h ARG 28 N 1.10 1.02 0.23 4.77 3.08 -0.52 -1.82 114.38 122.24 2div h ARG 28 Ca 0.27 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2div h ARG 28 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2div h ARG 28 CO -0.03 0.98 -0.24 0.00 -1.07 0.00 0.00 179.97 179.60 2div h ALA 29 N 1.08 -0.49 0.38 0.04 0.00 -0.85 0.26 119.26 119.68 2div h ALA 29 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2div h ALA 29 Cb 0.50 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2div h ALA 29 CO 0.02 -0.81 -0.18 0.74 0.00 0.00 0.00 179.25 179.02 2div h PHE 30 N -0.51 -0.48 -0.34 0.00 0.04 -1.44 -2.59 116.94 111.61 2div h PHE 30 Ca -0.00 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.83 2div h PHE 30 Cb 0.48 0.16 -0.07 0.00 2.20 0.00 0.00 35.95 38.72 2div h PHE 30 CO -0.17 -0.27 -0.10 0.00 -0.60 0.00 0.00 178.31 177.17 2div h ALA 31 N 0.04 0.20 -0.82 2.45 0.00 -0.83 -0.37 119.26 119.93 2div h ALA 31 Ca -0.05 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.16 2div h ALA 31 Cb 0.42 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2div h ALA 31 CO 0.09 -0.48 0.35 1.15 0.00 0.00 0.00 179.25 180.36 2div h THR 32 N -0.03 0.60 0.00 0.00 2.02 -0.38 0.65 112.91 115.78 2div h THR 32 Ca 0.17 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2div h THR 32 Cb 0.28 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2div h THR 32 CO -0.37 0.08 0.00 0.24 0.37 0.00 0.00 175.52 175.85 2div h MET 33 N 0.46 0.00 0.00 6.66 2.07 -0.87 -3.46 114.93 119.79 2div h MET 33 Ca 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.10 2div h MET 33 Cb 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.51 2div h MET 33 CO -0.44 0.00 0.00 0.41 1.07 0.00 0.00 176.91 177.95 2div n GLY 34 N -0.02 1.92 3.16 8.32 0.00 0.23 -5.11 105.19 113.69 2div n GLY 34 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.56 2.91 -0.65 1.61 8.01 -0.25 -4.97 118.70 124.79 2div s GLU 35 Ca 0.00 -0.82 -0.24 0.00 0.01 0.00 0.00 54.97 53.92 2div s GLU 35 Cb 0.00 -2.33 0.05 0.00 -4.31 0.00 0.00 34.13 27.55 2div s GLU 35 CO 0.00 0.02 1.03 0.99 0.01 0.00 0.00 175.26 177.31 2div s THR 36 N 0.73 4.20 0.29 3.63 2.01 -1.26 -2.18 115.64 123.06 2div s THR 36 Ca -0.10 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 2div s THR 36 Cb -0.16 -4.71 -0.09 0.00 0.01 0.00 0.00 72.50 67.55 2div s THR 36 CO 0.00 -1.47 0.98 0.54 -0.69 0.00 0.00 174.62 173.99 2div s VAL 37 N 4.42 3.97 -0.08 3.82 0.11 -1.26 -4.86 120.40 126.52 2div s VAL 37 Ca 0.27 1.80 -0.11 0.00 -2.93 0.00 0.00 61.98 61.01 2div s VAL 37 Cb -0.14 -4.07 -0.29 0.00 -1.53 0.00 0.00 36.38 30.35 2div s VAL 37 CO 0.13 0.29 0.56 0.24 -3.33 0.00 0.00 175.10 173.00 2div h MET 38 N 3.56 0.33 -2.37 1.54 2.86 -1.49 -3.50 114.93 115.87 2div h MET 38 Ca -0.46 -0.56 0.11 0.00 -2.06 0.00 0.00 59.70 56.73 2div h MET 38 Cb 1.20 0.21 -0.13 0.00 0.06 0.00 0.00 31.60 32.94 2div h MET 38 CO 0.66 1.27 0.46 -1.54 1.06 0.00 0.00 176.91 178.82 2div s SER 39 N -7.18 -0.34 -0.09 1.22 1.04 -1.23 -4.92 113.70 102.20 2div s SER 39 Ca -0.19 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 2div s SER 39 Cb 0.06 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2div s SER 39 CO 0.81 -0.73 0.19 0.54 0.98 0.00 0.00 173.24 175.04 2div s VAL 40 N -3.22 -0.13 -0.15 5.02 0.11 -1.26 -0.98 120.40 119.80 2div s VAL 40 Ca 0.06 0.22 0.02 0.00 -2.93 0.00 0.00 61.98 59.35 2div s VAL 40 Cb -0.01 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2div s VAL 40 CO -0.07 0.09 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.83 2div s LYS 41 N 1.56 3.04 -0.34 1.54 2.20 -0.26 -4.84 119.74 122.64 2div s LYS 41 Ca -0.06 -0.84 -0.17 0.00 -0.36 0.00 0.00 55.97 54.54 2div s LYS 41 Cb -0.11 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2div s LYS 41 CO -0.07 -0.03 0.46 0.42 -0.36 0.00 0.00 175.35 175.77 2div s ILE 42 N 0.86 5.08 -0.36 5.43 -1.09 -1.26 -1.18 121.20 128.68 2div s ILE 42 Ca -0.06 0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 58.34 2div s ILE 42 Cb -0.15 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 2div s ILE 42 CO -0.03 -0.15 1.51 -0.63 -1.23 0.00 0.00 174.94 174.42 2div s ILE 43 N 2.25 3.80 0.19 2.92 -1.09 -1.11 -4.98 121.20 123.19 2div s ILE 43 Ca 0.16 0.84 0.07 0.00 -2.23 0.00 0.00 60.65 59.49 2div s ILE 43 Cb -0.16 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 2div s ILE 43 CO 0.12 -0.60 -0.13 -0.13 -1.23 0.00 0.00 174.94 172.97 2div s ARG 44 N 5.01 1.26 0.69 2.79 0.52 -1.26 0.98 118.95 128.93 2div s ARG 44 Ca 0.66 -1.56 -0.11 0.00 -0.52 0.00 0.00 55.73 54.20 2div s ARG 44 Cb -0.17 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.31 2div s ARG 44 CO 0.32 0.15 1.08 1.21 0.02 0.00 0.00 175.30 178.08 2div s ASN 45 N -3.28 5.62 0.07 0.23 2.47 -0.90 -4.89 114.94 114.26 2div s ASN 45 Ca 0.21 1.22 0.23 0.00 0.42 0.00 0.00 52.86 54.93 2div s ASN 45 Cb 0.00 -2.08 -0.07 0.00 -1.45 0.00 0.00 41.25 37.66 2div s ASN 45 CO 0.05 -1.24 0.89 -1.14 -3.72 0.00 0.00 177.10 171.95 2div n ARG 46 N -2.95 0.46 -0.12 0.43 3.00 -1.26 -2.47 116.66 113.75 2div n ARG 46 Ca 0.07 -0.02 -0.23 0.00 -0.00 0.00 0.00 57.85 57.67 2div n ARG 46 Cb 0.56 -1.64 -0.08 0.00 0.00 0.00 0.00 32.46 31.30 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 -2.23 1.93 0.02 6.15 4.77 -1.26 -4.63 117.00 121.75 2div n LEU 47 Ca -0.00 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 2div n LEU 47 Cb 0.50 -0.84 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 2div n LEU 47 CO 0.42 0.29 -0.39 0.71 -1.33 0.00 0.00 177.39 177.08 2div h THR 48 N -1.00 1.05 0.00 -5.08 1.35 -1.99 -3.47 112.91 103.77 2div h THR 48 Ca -0.46 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 2div h THR 48 Cb 1.37 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 2div h THR 48 CO -0.28 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2div n GLY 49 N 1.62 2.10 3.75 5.82 0.00 -1.03 -4.95 105.19 112.50 2div n GLY 49 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.39 3.47 -0.17 -0.61 1.01 -1.26 -4.36 121.20 115.89 2div s ILE 50 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.75 2div s ILE 50 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2div s ILE 50 CO 0.00 0.30 1.58 -2.16 0.00 0.00 0.00 174.94 174.65 2div s PRO 51 N -1.07 3.96 0.44 2.79 0.04 -1.26 -2.12 135.00 137.79 2div s PRO 51 Ca 0.47 1.80 0.40 0.00 0.04 0.00 0.00 61.00 63.71 2div s PRO 51 Cb -0.33 -3.98 1.40 0.00 0.04 0.00 0.00 34.50 31.63 2div s PRO 51 CO 0.40 -1.09 1.28 0.00 0.04 0.00 0.00 177.00 177.63 2div n ALA 52 N 7.83 1.50 0.00 8.56 0.00 0.27 -4.61 120.51 134.06 2div n ALA 52 Ca 0.18 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.18 2div n ALA 52 Cb 0.44 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.71 1.20 3.04 0.00 0.00 -1.26 -5.00 105.19 101.46 2div n GLY 53 Ca 0.36 0.00 -0.09 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 0.29 0.04 1.61 1.13 -1.26 0.06 117.35 117.21 2div s TYR 54 Ca 0.00 -0.61 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 2div s TYR 54 Cb 0.00 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 2div s TYR 54 CO 0.00 -0.28 -0.04 0.00 -2.51 0.00 0.00 175.55 172.72 2div s PHE 56 N -2.32 3.50 -0.13 0.00 0.08 -0.32 -1.52 117.98 117.26 2div s PHE 56 Ca -0.07 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.42 2div s PHE 56 Cb -0.04 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 2div s PHE 56 CO -0.04 0.55 -0.18 0.14 -0.10 0.00 0.00 175.22 175.60 2div s VAL 57 N -0.51 2.54 0.27 -0.44 -7.23 -0.65 -1.10 120.40 113.28 2div s VAL 57 Ca 0.12 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.40 2div s VAL 57 Cb -0.12 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 2div s VAL 57 CO 0.02 0.53 0.54 -0.70 -0.31 0.00 0.00 175.10 175.18 2div s GLU 58 N 0.57 3.66 0.31 4.82 2.12 -0.15 -0.37 118.70 129.66 2div s GLU 58 Ca -0.11 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.28 2div s GLU 58 Cb -0.16 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 2div s GLU 58 CO 0.04 0.25 0.35 -0.06 -0.54 0.00 0.00 175.26 175.30 2div s PHE 59 N -2.01 1.33 0.15 5.30 0.40 -0.48 -1.13 117.98 121.55 2div s PHE 59 Ca 0.44 -1.43 -0.17 0.00 -0.60 0.00 0.00 56.93 55.17 2div s PHE 59 Cb -0.11 -0.39 0.04 0.00 0.51 0.00 0.00 43.02 43.07 2div s PHE 59 CO 0.28 -0.95 1.72 0.00 0.70 0.00 0.00 175.22 176.97 2div h ALA 60 N 2.20 0.31 -2.68 5.36 0.00 -1.89 -3.46 119.26 119.10 2div h ALA 60 Ca -0.28 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.81 2div h ALA 60 Cb 1.24 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2div h ALA 60 CO 0.40 -0.37 0.35 -0.51 0.00 0.00 0.00 179.25 179.11 2div s ASP 61 N -5.28 -0.25 0.15 0.00 1.11 -1.26 -4.98 116.67 106.15 2div s ASP 61 Ca -0.13 -0.44 -0.19 0.00 0.18 0.00 0.00 52.55 51.96 2div s ASP 61 Cb 0.12 0.60 0.04 0.00 1.07 0.00 0.00 42.92 44.75 2div s ASP 61 CO 0.70 -1.09 1.67 0.25 1.18 0.00 0.00 175.17 177.88 2div h LEU 62 N 2.00 -0.44 -0.55 1.23 5.85 -1.81 -1.65 115.31 119.93 2div h LEU 62 Ca -0.22 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2div h LEU 62 Cb 1.25 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 42.44 2div h LEU 62 CO 0.26 -0.17 -0.52 0.00 -0.34 0.00 0.00 178.44 177.67 2div h ALA 63 N 1.15 -0.67 -0.91 1.25 0.00 -1.96 1.00 119.26 119.12 2div h ALA 63 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2div h ALA 63 Cb 0.31 1.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 2div h ALA 63 CO -0.34 -0.96 0.55 1.15 0.00 0.00 0.00 179.25 179.65 2div h THR 64 N -0.25 0.92 -0.47 0.00 2.02 -1.90 -1.90 112.91 111.34 2div h THR 64 Ca 0.09 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.05 2div h THR 64 Cb 0.49 -0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.77 2div h THR 64 CO -0.65 0.16 0.06 0.00 0.37 0.00 0.00 175.52 175.47 2div h ALA 65 N 1.49 0.50 0.18 6.16 0.00 0.10 0.15 119.26 127.84 2div h ALA 65 Ca 0.44 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2div h ALA 65 Cb 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2div h ALA 65 CO -0.25 -0.34 -0.16 0.93 0.00 0.00 0.00 179.25 179.43 2div h GLU 66 N 0.19 -0.32 -1.00 0.00 3.07 -0.37 1.05 114.58 117.19 2div h GLU 66 Ca 0.24 0.02 0.22 0.00 -0.50 0.00 0.00 59.36 59.33 2div h GLU 66 Cb 0.32 0.07 -0.11 0.00 -0.84 0.00 0.00 28.75 28.19 2div h GLU 66 CO -0.34 -0.21 0.61 0.87 -1.40 0.00 0.00 179.01 178.54 2div h LYS 67 N -0.33 0.65 0.00 2.33 1.57 -1.40 0.99 116.57 120.38 2div h LYS 67 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2div h LYS 67 Cb 0.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2div h LYS 67 CO -0.01 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 2div n LEU 69 N -2.34 0.55 0.04 0.00 7.94 0.36 -3.99 117.00 119.56 2div n LEU 69 Ca 0.05 0.24 0.12 0.00 -1.11 0.00 0.00 56.01 55.31 2div n LEU 69 Cb 0.39 0.15 0.15 0.00 0.53 0.00 0.00 43.42 44.65 2div n LEU 69 CO 0.28 0.20 0.29 1.41 -1.11 0.00 0.00 177.39 178.46 2div n HIS 70 N -2.77 0.35 0.17 1.96 8.25 0.14 -1.41 115.22 121.91 2div n HIS 70 Ca -0.14 0.10 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 2div n HIS 70 Cb 0.87 -0.50 0.10 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 -1.58 -3.34 116.57 116.33 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 0.68 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.01 2div h LYS 71 CO 0.00 0.00 -0.04 0.44 -2.09 0.00 0.00 179.45 177.76 2div n ILE 72 N -2.91 0.00 -1.78 0.07 -5.35 -1.25 -4.77 119.36 103.38 2div n ILE 72 Ca 0.02 -0.47 -0.20 0.00 -0.27 0.00 0.00 62.75 61.83 2div n ILE 72 Cb 0.54 0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.03 4.07 0.00 7.28 3.84 -0.50 -1.09 114.94 127.51 2div s ASN 73 Ca 0.00 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.94 2div s ASN 73 Cb 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2div s ASN 73 CO 0.00 -4.06 0.00 0.61 -2.79 0.00 0.00 177.10 170.86 2div n GLY 74 N 6.10 1.38 3.84 1.21 0.00 -1.21 -4.96 105.19 111.55 2div n GLY 74 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 3.86 0.09 1.61 -0.14 -0.25 -4.73 119.74 120.19 2div s LYS 75 Ca 0.00 0.98 -0.31 0.00 -1.36 0.00 0.00 55.97 55.28 2div s LYS 75 Cb 0.00 -2.12 -0.07 0.00 -1.68 0.00 0.00 37.83 33.95 2div s LYS 75 CO 0.00 -0.34 1.37 -1.25 -0.76 0.00 0.00 175.35 174.37 2div s PRO 76 N -4.11 4.33 -0.11 -1.68 0.04 -1.26 -0.21 135.00 132.00 2div s PRO 76 Ca 0.59 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 2div s PRO 76 Cb -0.11 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2div s PRO 76 CO 0.33 -0.44 1.17 -1.17 0.04 0.00 0.00 177.00 176.92 2div s LEU 77 N 1.30 4.23 0.36 -3.56 2.96 -0.69 -4.78 118.68 118.50 2div s LEU 77 Ca 0.64 1.70 -0.27 0.00 -0.22 0.00 0.00 54.13 55.98 2div s LEU 77 Cb -0.35 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.69 2div s LEU 77 CO 0.30 -0.61 1.21 -2.16 -1.32 0.00 0.00 176.35 173.76 2div s PRO 78 N 2.58 4.22 0.00 0.98 0.04 -1.26 -3.52 135.00 138.04 2div s PRO 78 Ca 0.53 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2div s PRO 78 Cb -0.22 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2div s PRO 78 CO 0.18 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2div n GLY 79 N 0.77 2.24 2.55 0.56 0.00 -1.26 -4.82 105.19 105.24 2div n GLY 79 Ca 0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.44 -3.65 4.61 0.00 -1.23 -4.93 120.51 112.88 2div n ALA 80 Ca 0.00 0.30 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 2div n ALA 80 Cb 0.00 -1.20 -0.17 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.82 1.24 0.06 0.00 2.01 -1.26 -3.42 115.64 113.45 2div s THR 81 Ca 0.48 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 2div s THR 81 Cb -0.67 -1.16 -0.12 0.00 0.01 0.00 0.00 72.50 70.56 2div s THR 81 CO 0.43 0.39 1.37 1.55 -0.69 0.00 0.00 174.62 177.67 2div h PRO 82 N 7.43 0.48 -1.00 4.92 0.13 -2.02 -3.47 132.00 138.48 2div h PRO 82 Ca -0.31 -0.26 0.18 0.00 -0.87 0.00 0.00 66.00 64.74 2div h PRO 82 Cb 1.17 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2div h PRO 82 CO 0.46 0.83 0.41 0.00 -0.23 0.00 0.00 178.00 179.47 2div s ALA 83 N -4.33 -2.69 0.34 -0.56 0.00 -1.22 -4.98 121.76 108.32 2div s ALA 83 Ca -0.13 2.03 0.01 0.00 0.00 0.00 0.00 51.96 53.87 2div s ALA 83 Cb 0.06 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.20 2div s ALA 83 CO 0.78 -0.69 0.06 1.63 0.00 0.00 0.00 175.76 177.54 2div n LYS 84 N 4.25 1.15 -4.97 0.00 5.02 -1.26 -5.03 118.16 117.32 2div n LYS 84 Ca -0.12 -2.36 -0.31 0.00 -2.02 0.00 0.00 58.31 53.49 2div n LYS 84 Cb 0.55 0.55 -0.14 0.00 -0.02 0.00 0.00 35.03 35.97 2div n LYS 84 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2div s ARG 85 N -3.25 2.21 -0.47 1.97 6.06 -1.26 -1.71 118.95 122.50 2div s ARG 85 Ca 0.05 -0.88 -0.26 0.00 -2.50 0.00 0.00 55.73 52.14 2div s ARG 85 Cb -0.00 -2.19 -0.06 0.00 0.06 0.00 0.00 34.95 32.76 2div s ARG 85 CO 0.03 0.57 2.32 -0.06 -2.50 0.00 0.00 175.30 175.67 2div s PHE 86 N -0.75 1.15 -0.63 5.12 0.08 0.71 -4.74 117.98 118.92 2div s PHE 86 Ca 0.12 1.37 -0.20 0.00 0.12 0.00 0.00 56.93 58.33 2div s PHE 86 Cb -0.10 -3.68 0.10 0.00 -0.57 0.00 0.00 43.02 38.77 2div s PHE 86 CO 0.01 -2.68 0.81 0.21 -0.10 0.00 0.00 175.22 173.47 2div s LYS 87 N 7.89 3.10 0.09 0.44 2.47 -1.26 -3.32 119.74 129.16 2div s LYS 87 Ca 0.94 -1.22 0.07 0.00 -1.56 0.00 0.00 55.97 54.21 2div s LYS 87 Cb -0.18 -4.29 -0.03 0.00 -1.46 0.00 0.00 37.83 31.86 2div s LYS 87 CO 0.27 -1.63 -0.18 -0.51 0.16 0.00 0.00 175.35 173.45 2div s LEU 88 N 3.06 2.30 0.24 5.43 1.43 -1.26 -2.98 118.68 126.90 2div s LEU 88 Ca 0.16 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 2div s LEU 88 Cb -0.21 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.29 2div s LEU 88 CO 0.06 0.00 0.57 0.20 0.23 0.00 0.00 176.35 177.42 2div s ASN 89 N -1.87 -0.20 0.20 2.29 0.01 -0.79 -4.97 114.94 109.61 2div s ASN 89 Ca 0.03 -0.68 -0.31 0.00 -0.71 0.00 0.00 52.86 51.20 2div s ASN 89 Cb -0.10 0.63 -0.10 0.00 0.41 0.00 0.00 41.25 42.09 2div s ASN 89 CO 0.04 -1.18 1.51 -0.31 -1.51 0.00 0.00 177.10 175.64 2div s TYR 90 N -3.94 3.04 0.65 2.20 2.02 -1.26 -1.86 117.35 118.19 2div s TYR 90 Ca 0.14 0.81 0.23 0.00 -0.37 0.00 0.00 57.07 57.88 2div s TYR 90 Cb -0.03 -3.88 1.20 0.00 -0.40 0.00 0.00 41.96 38.85 2div s TYR 90 CO 0.05 -3.07 1.67 0.00 -1.57 0.00 0.00 175.55 172.63 2div h ALA 91 N 5.97 1.70 -0.99 3.71 0.00 -1.91 0.18 119.26 127.92 2div h ALA 91 Ca -0.44 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 2div h ALA 91 Cb 1.21 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 2div h ALA 91 CO 0.85 -0.62 0.72 -2.37 0.00 0.00 0.00 179.25 177.83 2div n THR 92 N -2.94 3.49 -0.64 0.00 5.66 -1.26 -4.73 114.28 113.87 2div n THR 92 Ca 0.01 -3.39 -0.07 0.00 -3.05 0.00 0.00 64.05 57.55 2div n THR 92 Cb 0.62 -1.18 0.02 0.00 -1.55 0.00 0.00 70.33 68.24 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 -0.81 0.62 -3.96 1.09 4.11 0.64 -4.82 117.16 114.03 2div n TYR 93 Ca 0.59 -1.38 -0.09 0.00 -0.00 0.00 0.00 57.90 57.01 2div n TYR 93 Cb 0.60 -0.68 -0.10 0.00 -0.00 0.00 0.00 39.34 39.15 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 1.25 0.21 0.00 9.48 1.04 -1.26 -5.08 113.70 119.34 2div s SER 94 Ca 0.13 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2div s SER 94 Cb 0.10 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2div s SER 94 CO -0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2div n GLY 95 N 1.23 1.69 3.60 7.32 0.00 -1.26 -5.06 105.19 112.71 2div n GLY 95 Ca -0.22 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.59 3.42 -1.41 1.61 0.04 -1.26 -3.71 135.00 132.10 2div s PRO 96 Ca 0.00 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.30 2div s PRO 96 Cb 0.00 -4.15 0.06 0.00 0.04 0.00 0.00 34.50 30.46 2div s PRO 96 CO 0.00 -1.75 0.16 -1.13 0.04 0.00 0.00 177.00 174.31 2div n SER 97 N 9.82 0.09 -3.60 6.66 3.41 -1.26 -4.89 113.62 123.85 2div n SER 97 Ca 0.21 -1.09 -0.22 0.00 -0.26 0.00 0.00 58.87 57.52 2div n SER 97 Cb 0.47 -1.36 -0.16 0.00 -0.26 0.00 0.00 64.21 62.90 2div n SER 97 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2div s SER 98 N -3.80 1.74 0.00 4.04 0.15 -1.24 -5.31 113.70 109.27 2div s SER 98 Ca 0.22 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2div s SER 98 Cb -0.13 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2div s SER 98 CO 0.86 -0.32 0.40 0.61 1.20 0.00 0.00 173.24 176.00