#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noc n LYS 2 N 0.00 1.56 -2.11 2.12 2.85 -1.26 -4.87 118.16 116.45 2noc n LYS 2 Ca 0.00 0.47 -0.42 0.00 -1.05 0.00 0.00 58.31 57.31 2noc n LYS 2 Cb 0.00 -2.70 -0.03 0.00 -0.65 0.00 0.00 35.03 31.65 2noc n LYS 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2noc s THR 3 N 6.78 2.97 0.00 0.58 2.01 -1.26 -4.90 115.64 121.82 2noc s THR 3 Ca 1.03 0.77 0.00 0.00 0.31 0.00 0.00 61.69 63.81 2noc s THR 3 Cb -0.69 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2noc s THR 3 CO 0.46 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2noc n GLY 4 N 2.63 -1.87 3.17 4.40 0.00 -1.26 -5.16 105.19 107.09 2noc n GLY 4 Ca 0.08 0.85 -0.24 0.00 0.00 0.00 0.00 46.02 46.71 2noc n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2noc s TYR 5 N 0.00 1.52 0.02 1.61 2.02 -1.26 -5.15 117.35 116.11 2noc s TYR 5 Ca 0.00 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2noc s TYR 5 Cb 0.00 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.58 2noc s TYR 5 CO 0.00 -0.00 -0.17 -1.59 -1.57 0.00 0.00 175.55 172.22 2noc s LYS 6 N -0.59 1.23 -0.28 -0.62 -2.85 -1.26 -5.12 119.74 110.25 2noc s LYS 6 Ca 0.06 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.31 2noc s LYS 6 Cb -0.07 -1.25 0.08 0.00 -2.06 0.00 0.00 37.83 34.53 2noc s LYS 6 CO -0.00 0.33 -0.01 0.14 0.10 0.00 0.00 175.35 175.90 2noc s VAL 7 N -0.64 1.79 -0.58 1.79 -7.23 -1.26 -5.07 120.40 109.21 2noc s VAL 7 Ca 0.05 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2noc s VAL 7 Cb -0.07 -2.14 0.15 0.00 0.56 0.00 0.00 36.38 34.87 2noc s VAL 7 CO 0.01 -0.32 0.42 -0.32 -0.31 0.00 0.00 175.10 174.58 2noc s MET 8 N 1.22 2.57 0.19 4.82 0.00 -1.26 -5.06 119.30 121.77 2noc s MET 8 Ca 0.01 -2.23 0.10 0.00 0.00 0.00 0.00 55.69 53.56 2noc s MET 8 Cb -0.19 -3.83 -0.04 0.00 0.00 0.00 0.00 34.83 30.77 2noc s MET 8 CO -0.09 -1.17 -0.14 -0.48 0.00 0.00 0.00 175.02 173.13 2noc s LEU 9 N 0.48 2.79 -0.30 4.11 0.05 -1.26 -5.11 118.68 119.44 2noc s LEU 9 Ca 0.13 -0.69 -0.04 0.00 0.05 0.00 0.00 54.13 53.57 2noc s LEU 9 Cb -0.21 -1.48 0.19 0.00 -2.05 0.00 0.00 46.19 42.64 2noc s LEU 9 CO -0.04 0.10 0.88 -0.83 -0.55 0.00 0.00 176.35 175.91 2noc s GLY 10 N -2.85 -1.11 -0.11 -3.48 0.00 -1.26 -5.14 107.32 93.37 2noc s GLY 10 Ca 0.24 1.60 0.03 0.00 0.00 0.00 0.00 44.72 46.59 2noc s GLY 10 CO 0.14 3.97 -0.22 0.00 0.00 0.00 0.00 173.10 176.98 2noc s ALA 11 N 2.78 2.12 0.00 3.20 0.00 -1.26 -4.95 121.76 123.65 2noc s ALA 11 Ca 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2noc s ALA 11 Cb -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2noc s ALA 11 CO -0.22 0.17 0.00 1.47 0.00 0.00 0.00 175.76 177.18 2noc n LEU 12 N 3.73 0.00 -4.01 0.00 -0.00 -1.26 -5.04 117.00 110.42 2noc n LEU 12 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.50 2noc n LEU 12 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.79 2noc n LEU 12 CO 0.27 0.00 -0.42 0.00 -0.00 0.00 0.00 177.39 177.24 2noc s ALA 13 N -0.13 2.43 -0.29 1.47 0.00 -1.26 -5.05 121.76 118.93 2noc s ALA 13 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.17 2noc s ALA 13 Cb 0.00 -1.62 0.18 0.00 0.00 0.00 0.00 23.12 21.68 2noc s ALA 13 CO 0.00 -1.31 0.54 0.12 0.00 0.00 0.00 175.76 175.11 2noc s PHE 14 N 1.16 -1.49 -0.28 0.00 5.36 -1.26 -5.11 117.98 116.36 2noc s PHE 14 Ca -0.04 1.25 -0.02 0.00 -0.96 0.00 0.00 56.93 57.17 2noc s PHE 14 Cb -0.19 0.33 0.12 0.00 -0.34 0.00 0.00 43.02 42.94 2noc s PHE 14 CO -0.07 -0.92 0.23 0.54 -1.46 0.00 0.00 175.22 173.54 2noc s VAL 15 N 2.77 -0.27 -0.59 3.12 0.11 -1.26 -5.09 120.40 119.18 2noc s VAL 15 Ca 0.15 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 2noc s VAL 15 Cb -0.13 -0.95 0.15 0.00 -1.53 0.00 0.00 36.38 33.91 2noc s VAL 15 CO -0.23 -0.53 0.37 -0.69 -3.33 0.00 0.00 175.10 170.69 2noc s VAL 16 N 2.26 3.14 0.00 2.04 1.01 -1.26 -4.79 120.40 122.80 2noc s VAL 16 Ca 0.09 -3.27 0.00 0.00 0.00 0.00 0.00 61.98 58.80 2noc s VAL 16 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2noc s VAL 16 CO -0.32 -0.86 0.98 0.35 0.00 0.00 0.00 175.10 175.25 2noc n THR 17 N 3.14 0.00 -3.53 3.92 -2.24 -1.26 -5.07 114.28 109.23 2noc n THR 17 Ca 0.08 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 2noc n THR 17 Cb 0.35 0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 2noc n THR 17 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2noc s ASN 18 N -0.96 6.21 -0.08 3.42 4.22 -1.26 -5.07 114.94 121.41 2noc s ASN 18 Ca 0.00 0.22 0.02 0.00 -2.14 0.00 0.00 52.86 50.97 2noc s ASN 18 Cb 0.00 -2.16 0.01 0.00 1.28 0.00 0.00 41.25 40.38 2noc s ASN 18 CO 0.00 -0.03 -0.15 0.54 -2.04 0.00 0.00 177.10 175.42 2noc s VAL 19 N 1.40 1.38 0.35 3.54 0.11 -1.26 -5.14 120.40 120.78 2noc s VAL 19 Ca 0.12 -0.60 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 2noc s VAL 19 Cb -0.15 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 2noc s VAL 19 CO 0.07 0.41 0.28 -0.31 -3.33 0.00 0.00 175.10 172.23 2noc s TYR 20 N 0.73 2.85 -0.05 1.54 2.02 -1.26 -5.12 117.35 118.06 2noc s TYR 20 Ca -0.13 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.23 2noc s TYR 20 Cb -0.16 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 2noc s TYR 20 CO 0.03 0.16 0.02 0.00 -1.57 0.00 0.00 175.55 174.20 2noc s ALA 21 N -2.34 3.37 0.12 3.71 0.00 -1.26 -4.77 121.76 120.59 2noc s ALA 21 Ca 0.41 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 2noc s ALA 21 Cb -0.05 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 2noc s ALA 21 CO 0.26 0.63 0.81 0.00 0.00 0.00 0.00 175.76 177.46 2noc s ALA 22 N -1.01 3.39 0.05 0.00 0.00 -1.04 -4.52 121.76 118.62 2noc s ALA 22 Ca 0.17 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 2noc s ALA 22 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2noc s ALA 22 CO 0.07 0.16 0.10 -2.00 0.00 0.00 0.00 175.76 174.09 2noc s GLU 23 N -0.60 0.64 -0.04 0.00 2.56 -0.80 -4.90 118.70 115.56 2noc s GLU 23 Ca 0.39 -0.85 -0.30 0.00 0.00 0.00 0.00 54.97 54.21 2noc s GLU 23 Cb -0.22 0.25 -0.04 0.00 2.00 0.00 0.00 34.13 36.11 2noc s GLU 23 CO 0.26 -0.16 1.29 0.42 -0.56 0.00 0.00 175.26 176.51 2noc s ILE 24 N -3.01 4.02 0.04 -3.70 -1.09 -1.26 -0.96 121.20 115.25 2noc s ILE 24 Ca -0.02 1.36 0.01 0.00 -2.23 0.00 0.00 60.65 59.78 2noc s ILE 24 Cb 0.01 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2noc s ILE 24 CO -0.06 -0.01 0.08 -0.32 -1.23 0.00 0.00 174.94 173.39 2noc s MET 25 N 2.40 2.97 0.23 2.79 1.75 -1.23 -4.95 119.30 123.28 2noc s MET 25 Ca 0.59 -0.59 -0.32 0.00 -1.25 0.00 0.00 55.69 54.13 2noc s MET 25 Cb -0.27 -2.79 -0.13 0.00 2.84 0.00 0.00 34.83 34.48 2noc s MET 25 CO 0.23 0.61 1.54 1.63 -0.65 0.00 0.00 175.02 178.38 2noc n LYS 26 N 0.83 2.34 -0.32 4.11 5.02 -1.26 -4.75 118.16 124.13 2noc n LYS 26 Ca -0.11 0.84 0.11 0.00 -2.02 0.00 0.00 58.31 57.13 2noc n LYS 26 Cb 0.52 -2.58 0.33 0.00 -0.02 0.00 0.00 35.03 33.28 2noc n LYS 26 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2noc h LYS 27 N 5.06 0.78 0.18 1.97 1.63 -1.97 0.77 116.57 124.98 2noc h LYS 27 Ca -0.45 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 2noc h LYS 27 Cb 1.25 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2noc h LYS 27 CO 0.82 0.51 -0.09 1.15 -3.45 0.00 0.00 179.45 178.40 2noc h THR 28 N 0.80 0.92 -0.55 1.00 2.02 -2.00 -1.14 112.91 113.96 2noc h THR 28 Ca 0.49 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 2noc h THR 28 Cb 0.69 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2noc h THR 28 CO -0.26 0.12 -0.06 0.44 0.37 0.00 0.00 175.52 176.13 2noc h ASP 29 N -0.50 1.00 -0.47 4.18 5.19 -1.75 -2.67 116.42 121.39 2noc h ASP 29 Ca -0.02 -0.31 0.09 0.00 -0.62 0.00 0.00 57.03 56.17 2noc h ASP 29 Cb 0.38 -0.27 -0.08 0.00 0.18 0.00 0.00 39.33 39.55 2noc h ASP 29 CO 0.04 1.08 0.02 0.15 -3.12 0.00 0.00 179.24 177.41 2noc h PHE 30 N 0.91 0.00 -0.36 4.55 3.57 0.61 0.46 116.94 126.68 2noc h PHE 30 Ca 0.15 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2noc h PHE 30 Cb 0.61 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2noc h PHE 30 CO 0.04 -0.09 -0.04 0.22 -2.23 0.00 0.00 178.31 176.21 2noc h ASP 31 N 0.13 0.55 0.83 0.41 3.58 -1.01 0.26 116.42 121.18 2noc h ASP 31 Ca 0.24 -0.12 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 2noc h ASP 31 Cb 0.35 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2noc h ASP 31 CO -0.38 0.65 -0.99 0.11 -2.88 0.00 0.00 179.24 175.75 2noc h LYS 32 N 0.55 0.08 0.00 0.28 6.56 -0.96 -3.12 116.57 119.96 2noc h LYS 32 Ca 0.11 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2noc h LYS 32 Cb 0.41 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2noc h LYS 32 CO 0.02 1.00 -0.51 -0.39 -2.06 0.00 0.00 179.45 177.51 2noc h VAL 33 N 0.03 0.00 0.00 0.50 -1.51 0.12 -3.29 116.25 112.10 2noc h VAL 33 Ca -0.04 -0.97 -0.00 0.00 -1.23 0.00 0.00 66.70 64.46 2noc h VAL 33 Cb 1.70 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 32.57 2noc h VAL 33 CO 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.47 2noc h ALA 34 N 2.03 1.17 0.00 5.19 0.00 -0.41 0.25 119.26 127.49 2noc h ALA 34 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2noc h ALA 34 Cb 0.98 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2noc h ALA 34 CO 0.00 0.01 -0.12 1.03 0.00 0.00 0.00 179.25 180.17 2noc h SER 35 N 0.00 0.00 -0.16 0.00 0.87 -1.66 -2.59 113.55 110.02 2noc h SER 35 Ca -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2noc h SER 35 Cb 0.05 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.92 2noc h SER 35 CO 0.00 0.12 -0.56 -0.62 -0.53 0.00 0.00 176.83 175.24 2noc n GLU 36 N -3.54 2.02 -4.20 2.24 1.02 0.85 -5.02 120.64 114.01 2noc n GLU 36 Ca -0.01 -3.49 -0.12 0.00 -0.02 0.00 0.00 57.16 53.52 2noc n GLU 36 Cb 0.26 -1.76 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 2noc n GLU 36 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2noc s TYR 37 N -3.32 1.04 0.16 -0.32 1.51 -0.98 -2.79 117.35 112.66 2noc s TYR 37 Ca 0.41 -0.94 0.11 0.00 -1.01 0.00 0.00 57.07 55.64 2noc s TYR 37 Cb 0.38 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 2noc s TYR 37 CO -0.05 -0.15 -0.24 0.99 -1.11 0.00 0.00 175.55 174.99 2noc s THR 38 N -3.61 2.21 -0.28 -0.71 2.01 0.14 -4.89 115.64 110.52 2noc s THR 38 Ca 0.16 -1.89 -0.13 0.00 0.31 0.00 0.00 61.69 60.14 2noc s THR 38 Cb 0.05 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2noc s THR 38 CO -0.01 -0.07 0.28 -0.75 -0.69 0.00 0.00 174.62 173.38 2noc s LYS 39 N -2.43 3.97 0.00 4.92 2.47 -1.26 -0.07 119.74 127.35 2noc s LYS 39 Ca 0.17 -0.15 0.21 0.00 -1.56 0.00 0.00 55.97 54.65 2noc s LYS 39 Cb -0.08 -3.66 0.02 0.00 -1.46 0.00 0.00 37.83 32.64 2noc s LYS 39 CO 0.08 -0.23 1.07 0.44 0.16 0.00 0.00 175.35 176.86 2noc n ILE 40 N 5.09 0.00 0.00 5.43 -5.35 -1.26 -4.97 119.36 118.30 2noc n ILE 40 Ca -0.11 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2noc n ILE 40 Cb 0.51 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.69 2noc n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2noc n GLY 41 N 1.35 3.38 3.75 3.28 0.00 -1.26 -5.09 105.19 110.61 2noc n GLY 41 Ca 0.09 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2noc n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2noc s THR 42 N -2.18 4.52 0.34 2.61 2.01 -1.26 -3.60 115.64 118.08 2noc s THR 42 Ca 0.00 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.51 2noc s THR 42 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2noc s THR 42 CO 0.00 0.28 0.11 0.27 -0.69 0.00 0.00 174.62 174.59 2noc s ILE 43 N -1.23 2.96 0.28 1.82 -4.36 0.27 -4.95 121.20 115.98 2noc s ILE 43 Ca 0.24 -1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 58.77 2noc s ILE 43 Cb -0.12 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.66 2noc s ILE 43 CO 0.16 -0.19 0.49 -0.94 0.24 0.00 0.00 174.94 174.69 2noc s SER 44 N -3.81 0.18 -0.05 4.36 1.04 -1.26 0.04 113.70 114.21 2noc s SER 44 Ca 0.37 -1.11 0.05 0.00 0.48 0.00 0.00 55.95 55.74 2noc s SER 44 Cb -0.02 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 2noc s SER 44 CO 0.22 -1.22 -0.20 0.42 0.98 0.00 0.00 173.24 173.44 2noc s THR 45 N -3.63 1.68 0.08 2.02 -4.23 -0.10 -4.96 115.64 106.50 2noc s THR 45 Ca 0.24 -0.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2noc s THR 45 Cb -0.01 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 2noc s THR 45 CO 0.12 0.48 -0.17 0.28 -0.54 0.00 0.00 174.62 174.79 2noc s THR 46 N -0.04 1.37 0.00 3.99 -1.32 -1.26 -3.39 115.64 114.98 2noc s THR 46 Ca -0.04 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2noc s THR 46 Cb -0.12 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 2noc s THR 46 CO 0.03 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 2noc n GLY 47 N 1.25 1.15 3.63 6.08 0.00 -1.26 -4.81 105.19 111.23 2noc n GLY 47 Ca -0.20 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2noc n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2noc s GLU 48 N 0.00 0.59 0.20 1.61 -1.05 -1.26 -4.70 118.70 114.09 2noc s GLU 48 Ca 0.00 1.10 -0.03 0.00 -0.15 0.00 0.00 54.97 55.89 2noc s GLU 48 Cb 0.00 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.89 2noc s GLU 48 CO 0.00 -0.14 0.18 -1.64 0.95 0.00 0.00 175.26 174.61 2noc s MET 49 N 1.78 1.24 0.18 -4.83 -1.94 -0.95 -5.03 119.30 109.74 2noc s MET 49 Ca -0.09 -1.56 -0.19 0.00 -1.71 0.00 0.00 55.69 52.14 2noc s MET 49 Cb -0.06 0.30 -0.08 0.00 2.01 0.00 0.00 34.83 37.01 2noc s MET 49 CO -0.19 -0.42 0.68 0.45 -0.01 0.00 0.00 175.02 175.53 2noc s SER 50 N -3.13 7.07 0.09 3.03 0.15 -1.26 -4.00 113.70 115.65 2noc s SER 50 Ca 0.35 1.37 -0.30 0.00 0.70 0.00 0.00 55.95 58.07 2noc s SER 50 Cb 0.06 -2.40 -0.13 0.00 -1.71 0.00 0.00 66.02 61.84 2noc s SER 50 CO 0.11 0.10 1.62 1.55 1.20 0.00 0.00 173.24 177.83 2noc h PRO 51 N 3.72 -0.66 -0.08 5.44 0.13 -1.80 0.24 132.00 139.00 2noc h PRO 51 Ca -0.48 0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 2noc h PRO 51 Cb 1.20 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2noc h PRO 51 CO 0.65 -0.44 -0.53 1.37 -0.23 0.00 0.00 178.00 178.82 2noc h LEU 52 N -0.68 0.24 -0.50 1.56 8.10 -1.93 -1.24 115.31 120.86 2noc h LEU 52 Ca -0.02 -0.12 -0.14 0.00 0.11 0.00 0.00 57.88 57.71 2noc h LEU 52 Cb 0.61 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2noc h LEU 52 CO -0.04 0.73 -0.24 -0.78 -4.11 0.00 0.00 178.44 173.99 2noc h ASP 53 N 0.17 1.00 -0.23 0.17 3.58 -1.89 -0.88 116.42 118.34 2noc h ASP 53 Ca 0.00 -0.39 -0.14 0.00 0.42 0.00 0.00 57.03 56.93 2noc h ASP 53 Cb 0.99 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 2noc h ASP 53 CO 0.08 1.19 -0.34 0.00 -2.88 0.00 0.00 179.24 177.28 2noc h ALA 54 N 0.88 0.76 0.53 -0.78 0.00 -0.36 -1.24 119.26 119.06 2noc h ALA 54 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2noc h ALA 54 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2noc h ALA 54 CO 0.07 0.65 -0.39 0.00 0.00 0.00 0.00 179.25 179.58 2noc h ARG 55 N 0.63 -0.87 -0.56 0.00 3.08 -0.91 0.12 114.38 115.87 2noc h ARG 55 Ca 0.06 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2noc h ARG 55 Cb 0.88 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 2noc h ARG 55 CO 0.08 -0.58 0.32 0.93 -1.07 0.00 0.00 179.97 179.65 2noc h GLU 56 N -0.90 0.76 -0.43 0.04 5.08 -1.13 0.33 114.58 118.33 2noc h GLU 56 Ca -0.06 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2noc h GLU 56 Cb 0.76 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2noc h GLU 56 CO 0.02 0.55 -0.03 0.22 -1.00 0.00 0.00 179.01 178.77 2noc h ASP 57 N 0.78 0.76 -0.26 1.42 3.58 -1.00 -1.89 116.42 119.81 2noc h ASP 57 Ca 0.20 -0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 2noc h ASP 57 Cb -0.01 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2noc h ASP 57 CO -0.04 0.90 0.03 -0.07 -2.88 0.00 0.00 179.24 177.19 2noc h LEU 58 N 0.60 0.42 -0.03 2.28 3.38 0.35 -1.82 115.31 120.49 2noc h LEU 58 Ca 0.12 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2noc h LEU 58 Cb 0.53 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2noc h LEU 58 CO 0.03 0.59 0.02 0.40 0.09 0.00 0.00 178.44 179.57 2noc h ILE 59 N 0.24 1.02 -0.36 1.22 2.04 -0.32 0.55 117.51 121.89 2noc h ILE 59 Ca 0.08 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 2noc h ILE 59 Cb 0.36 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2noc h ILE 59 CO 0.01 0.02 -0.27 0.07 0.00 0.00 0.00 178.15 177.98 2noc h LYS 60 N 0.02 0.75 -0.43 2.37 2.10 -1.39 -1.83 116.57 118.18 2noc h LYS 60 Ca 0.01 -0.33 -0.03 0.00 -2.00 0.00 0.00 60.65 58.31 2noc h LYS 60 Cb 0.02 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2noc h LYS 60 CO -0.00 0.94 0.15 -0.22 -2.00 0.00 0.00 179.45 178.32 2noc h LYS 61 N 0.65 0.65 -0.40 0.07 3.64 -1.06 0.48 116.57 120.60 2noc h LYS 61 Ca 0.08 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2noc h LYS 61 Cb 0.79 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2noc h LYS 61 CO 0.07 0.62 0.18 0.00 -2.27 0.00 0.00 179.45 178.05 2noc h ALA 62 N 1.00 0.52 -0.60 5.00 0.00 -0.81 -1.21 119.26 123.15 2noc h ALA 62 Ca 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2noc h ALA 62 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2noc h ALA 62 CO -0.01 0.09 0.16 0.22 0.00 0.00 0.00 179.25 179.72 2noc h ASP 63 N 0.51 0.87 -0.50 0.00 3.58 -1.07 -2.38 116.42 117.42 2noc h ASP 63 Ca 0.14 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2noc h ASP 63 Cb 0.14 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2noc h ASP 63 CO -0.02 0.83 0.26 -0.33 -2.88 0.00 0.00 179.24 177.11 2noc h GLU 64 N 0.89 0.75 -0.06 0.28 5.08 0.36 -0.69 114.58 121.19 2noc h GLU 64 Ca 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2noc h GLU 64 Cb 0.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2noc h GLU 64 CO -0.00 0.58 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 2noc n LYS 65 N -4.37 1.24 -1.43 2.33 5.02 -0.49 -4.92 118.16 115.54 2noc n LYS 65 Ca 0.05 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 2noc n LYS 65 Cb 0.12 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2noc n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2noc n GLY 66 N 0.89 0.18 3.62 0.72 0.00 -0.27 -5.07 105.19 105.26 2noc n GLY 66 Ca 0.14 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 67 N -2.95 3.10 -0.18 4.61 0.00 -1.13 -4.80 121.76 120.41 2noc s ALA 67 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2noc s ALA 67 Cb 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 23.12 22.25 2noc s ALA 67 CO 0.00 0.33 -0.16 -0.25 0.00 0.00 0.00 175.76 175.68 2noc n ASP 68 N -0.63 2.58 -4.15 0.00 9.92 0.06 -2.50 116.55 121.83 2noc n ASP 68 Ca -0.07 -0.08 -0.25 0.00 -0.53 0.00 0.00 54.79 53.85 2noc n ASP 68 Cb 0.58 -0.29 -0.16 0.00 -0.64 0.00 0.00 41.12 40.61 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2noc s VAL 69 N -2.35 1.38 0.03 2.53 1.01 -0.24 -1.91 120.40 120.86 2noc s VAL 69 Ca -0.24 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2noc s VAL 69 Cb 0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2noc s VAL 69 CO 0.40 0.40 -0.17 0.68 0.00 0.00 0.00 175.10 176.40 2noc s VAL 70 N -0.19 1.38 -0.06 2.92 -7.23 -0.13 -0.12 120.40 116.97 2noc s VAL 70 Ca 0.02 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2noc s VAL 70 Cb -0.09 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.66 2noc s VAL 70 CO 0.01 0.17 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.23 2noc s VAL 71 N -0.73 0.59 -1.06 1.32 1.01 -0.52 -3.47 120.40 117.55 2noc s VAL 71 Ca 0.05 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 2noc s VAL 71 Cb -0.08 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.72 2noc s VAL 71 CO 0.01 0.25 1.48 -0.76 0.00 0.00 0.00 175.10 176.08 2noc s LEU 72 N 1.16 3.60 0.15 3.92 1.43 -1.26 -0.78 118.68 126.90 2noc s LEU 72 Ca -0.07 -1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 51.32 2noc s LEU 72 Cb -0.14 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2noc s LEU 72 CO -0.01 -1.45 1.46 0.74 0.23 0.00 0.00 176.35 177.32 2noc h THR 73 N 6.59 1.28 -3.06 5.49 2.02 -1.84 -3.47 112.91 119.92 2noc h THR 73 Ca 0.23 -1.67 -0.11 0.00 0.77 0.00 0.00 66.41 65.63 2noc h THR 73 Cb 0.99 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2noc h THR 73 CO 1.42 0.55 0.03 -1.20 0.37 0.00 0.00 175.52 176.69 2noc n SER 74 N -4.02 -1.22 0.00 4.18 7.64 0.14 -4.92 113.62 115.42 2noc n SER 74 Ca -0.03 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.64 2noc n SER 74 Cb 0.59 2.14 0.00 0.00 -1.01 0.00 0.00 64.21 65.93 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2noc n GLY 75 N -0.38 0.75 2.12 0.23 0.00 -1.26 -3.46 105.19 103.18 2noc n GLY 75 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2noc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2noc n GLN 76 N -2.09 2.23 0.00 1.61 0.00 -1.26 -4.63 117.38 113.25 2noc n GLN 76 Ca 0.00 -2.77 0.00 0.00 -0.00 0.00 0.00 57.00 54.23 2noc n GLN 76 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.15 2noc n GLN 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2noc n THR 77 N -0.96 0.00 0.00 1.69 -1.04 -1.26 -5.09 114.28 107.61 2noc n THR 77 Ca 0.54 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 2noc n THR 77 Cb 1.57 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 2noc n THR 77 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2noc n GLU 78 N -0.44 0.00 -0.12 -2.82 0.00 -1.26 -5.01 120.64 110.99 2noc n GLU 78 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.92 2noc n GLU 78 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 2noc n GLU 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2noc n ASN 79 N 0.00 1.76 -1.78 4.31 4.05 -1.26 -2.29 115.26 120.05 2noc n ASN 79 Ca 0.00 0.24 -0.04 0.00 0.45 0.00 0.00 54.58 55.23 2noc n ASN 79 Cb 0.00 -0.66 -0.06 0.00 1.23 0.00 0.00 39.78 40.29 2noc n ASN 79 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2noc n LYS 80 N -3.95 1.18 -2.90 1.20 2.85 -1.26 -2.23 118.16 113.05 2noc n LYS 80 Ca -0.46 -0.34 -0.42 0.00 -1.05 0.00 0.00 58.31 56.04 2noc n LYS 80 Cb 0.85 -1.42 -0.04 0.00 -0.65 0.00 0.00 35.03 33.76 2noc n LYS 80 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2noc s ILE 81 N 0.73 4.77 -0.66 0.58 -4.36 -1.26 -4.92 121.20 116.08 2noc s ILE 81 Ca 0.23 1.35 0.04 0.00 -0.26 0.00 0.00 60.65 62.01 2noc s ILE 81 Cb 0.11 -4.17 0.34 0.00 1.25 0.00 0.00 42.46 39.99 2noc s ILE 81 CO 0.00 -0.23 1.11 1.41 0.24 0.00 0.00 174.94 177.47 2noc n HIS 82 N 6.22 3.83 -2.77 1.37 8.25 -1.26 -4.46 115.22 126.40 2noc n HIS 82 Ca 0.05 -3.73 -0.21 0.00 -0.26 0.00 0.00 57.72 53.58 2noc n HIS 82 Cb 0.48 -0.61 0.06 0.00 1.12 0.00 0.00 29.99 31.04 2noc n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2noc s GLY 83 N -3.10 1.80 -0.00 -1.41 0.00 -1.22 -4.81 107.32 98.58 2noc s GLY 83 Ca 0.47 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.49 2noc s GLY 83 CO -0.14 -1.30 -0.03 -0.51 0.00 0.00 0.00 173.10 171.12 2noc s THR 84 N -2.80 0.24 -0.07 0.90 -4.23 -1.22 -0.92 115.64 107.53 2noc s THR 84 Ca 0.61 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 2noc s THR 84 Cb -0.08 -0.21 -0.00 0.00 1.34 0.00 0.00 72.50 73.56 2noc s THR 84 CO 0.40 0.07 -0.21 0.00 -0.54 0.00 0.00 174.62 174.33 2noc s ALA 85 N -0.05 1.90 -0.23 3.99 0.00 0.11 0.25 121.76 127.73 2noc s ALA 85 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 2noc s ALA 85 Cb -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2noc s ALA 85 CO -0.00 0.31 0.06 0.34 0.00 0.00 0.00 175.76 176.47 2noc s ASP 86 N 0.13 5.15 0.18 0.00 2.15 0.04 -0.57 116.67 123.74 2noc s ASP 86 Ca -0.09 -0.17 0.10 0.00 0.43 0.00 0.00 52.55 52.81 2noc s ASP 86 Cb -0.15 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.52 2noc s ASP 86 CO 0.05 0.01 -0.15 0.27 -0.17 0.00 0.00 175.17 175.18 2noc s ILE 87 N 1.34 2.87 0.05 4.11 -4.36 -1.24 -1.44 121.20 122.54 2noc s ILE 87 Ca 0.05 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2noc s ILE 87 Cb -0.15 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 2noc s ILE 87 CO 0.03 -0.08 -0.10 -0.31 0.24 0.00 0.00 174.94 174.71 2noc s TYR 88 N -1.62 0.90 -0.03 1.37 1.51 0.83 -4.17 117.35 116.14 2noc s TYR 88 Ca 0.23 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2noc s TYR 88 Cb -0.09 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 2noc s TYR 88 CO 0.13 -0.02 -0.13 0.21 -1.11 0.00 0.00 175.55 174.63 2noc s LYS 89 N -1.60 2.47 0.32 -0.62 2.47 0.90 -0.76 119.74 122.93 2noc s LYS 89 Ca -0.06 -0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 53.33 2noc s LYS 89 Cb -0.10 -2.39 -0.10 0.00 -1.46 0.00 0.00 37.83 33.78 2noc s LYS 89 CO 0.01 0.61 1.30 0.21 0.16 0.00 0.00 175.35 177.64 2noc s LYS 90 N -0.96 4.37 0.96 4.03 2.20 -1.26 0.28 119.74 129.35 2noc s LYS 90 Ca 0.13 2.19 -0.14 0.00 -0.36 0.00 0.00 55.97 57.79 2noc s LYS 90 Cb -0.11 -3.08 0.21 0.00 -1.51 0.00 0.00 37.83 33.34 2noc s LYS 90 CO 0.02 -0.17 1.31 0.15 -0.36 0.00 0.00 175.35 176.30 2noc s LYS 91 N -1.67 0.54 0.00 4.03 1.02 -1.12 -4.78 119.74 117.76 2noc s LYS 91 Ca 0.49 -0.62 0.25 0.00 0.02 0.00 0.00 55.97 56.11 2noc s LYS 91 Cb -0.39 -1.90 0.51 0.00 -0.52 0.00 0.00 37.83 35.53 2noc s LYS 91 CO 0.51 -2.43 1.42 1.28 -0.92 0.00 0.00 175.35 175.21 2noc n LEU 92 N -3.72 0.64 -4.40 3.17 4.77 -1.26 -4.87 117.00 111.34 2noc n LEU 92 Ca 0.17 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2noc n LEU 92 Cb 0.59 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2noc n LEU 92 CO 0.43 0.15 -0.46 -1.61 -1.33 0.00 0.00 177.39 174.57 2noc s GLU 93 N -2.90 1.48 0.33 3.23 8.01 -1.26 -5.16 118.70 122.44 2noc s GLU 93 Ca 0.14 -1.67 -0.18 0.00 0.01 0.00 0.00 54.97 53.27 2noc s GLU 93 Cb 0.18 -1.39 0.04 0.00 -4.31 0.00 0.00 34.13 28.65 2noc s GLU 93 CO 0.67 0.24 0.77 -3.38 0.01 0.00 0.00 175.26 173.57 2noc s HIS 94 N -2.78 -0.02 -0.06 1.61 -3.43 -1.26 -4.93 115.29 104.42 2noc s HIS 94 Ca 0.26 -0.56 -0.30 0.00 -0.80 0.00 0.00 55.06 53.66 2noc s HIS 94 Cb -0.02 0.78 -0.08 0.00 -1.43 0.00 0.00 32.58 31.82 2noc s HIS 94 CO 0.10 -1.41 2.04 0.72 -2.00 0.00 0.00 174.74 174.19 2noc n HIS 95 N -0.50 2.31 -3.64 0.38 8.25 -1.26 -4.80 115.22 115.97 2noc n HIS 95 Ca -0.06 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2noc n HIS 95 Cb 0.60 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.95 2noc n HIS 95 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2noc n HIS 96 N 8.64 -0.68 -3.58 4.41 8.25 -1.26 -4.44 115.22 126.56 2noc n HIS 96 Ca 0.24 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.42 2noc n HIS 96 Cb 0.40 0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.54 2noc n HIS 96 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2noc s HIS 97 N 0.00 1.90 -0.02 4.41 -3.43 -1.26 -5.09 115.29 111.80 2noc s HIS 97 Ca 0.00 -2.61 -0.30 0.00 -0.80 0.00 0.00 55.06 51.35 2noc s HIS 97 Cb 0.00 -1.54 0.07 0.00 -1.43 0.00 0.00 32.58 29.68 2noc s HIS 97 CO 0.00 -0.74 0.68 -1.58 -2.00 0.00 0.00 174.74 171.11 2noc s HIS 98 N -0.34 -0.62 0.00 0.38 5.65 -1.26 -5.26 115.29 113.84 2noc s HIS 98 Ca 0.29 0.95 0.00 0.00 0.25 0.00 0.00 55.06 56.55 2noc s HIS 98 Cb -0.02 0.44 0.00 0.00 -1.18 0.00 0.00 32.58 31.82 2noc s HIS 98 CO -0.16 -0.64 0.00 1.58 -0.65 0.00 0.00 174.74 174.87