#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2noc s LYS 2 N 0.00 0.19 -0.19 0.03 -2.85 -1.26 -5.17 119.74 110.49 2noc s LYS 2 Ca 0.00 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.22 2noc s LYS 2 Cb 0.00 0.21 0.06 0.00 -2.06 0.00 0.00 37.83 36.04 2noc s LYS 2 CO 0.00 -0.17 0.48 0.99 0.10 0.00 0.00 175.35 176.75 2noc s THR 3 N 2.77 -0.02 0.00 3.79 2.01 -1.26 -5.15 115.64 117.79 2noc s THR 3 Ca -0.01 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2noc s THR 3 Cb -0.09 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2noc s THR 3 CO -0.13 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2noc n GLY 4 N 4.01 1.90 3.93 4.40 0.00 -1.26 -5.16 105.19 113.01 2noc n GLY 4 Ca -0.21 0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 3.44 -0.55 1.61 1.51 -1.26 -5.05 117.35 117.05 2noc s TYR 5 Ca 0.00 0.46 -0.17 0.00 -1.01 0.00 0.00 57.07 56.34 2noc s TYR 5 Cb 0.00 -2.13 0.11 0.00 -0.11 0.00 0.00 41.96 39.83 2noc s TYR 5 CO 0.00 -0.13 0.58 0.15 -1.11 0.00 0.00 175.55 175.04 2noc s LYS 6 N -4.51 3.02 -0.12 -0.62 1.02 -1.26 -5.04 119.74 112.24 2noc s LYS 6 Ca 0.44 -1.44 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 2noc s LYS 6 Cb -0.10 -4.25 -0.02 0.00 -0.52 0.00 0.00 37.83 32.94 2noc s LYS 6 CO 0.39 -1.36 -0.10 0.14 -0.92 0.00 0.00 175.35 173.50 2noc s VAL 7 N 2.11 3.39 -0.40 3.17 -7.23 -1.26 -5.06 120.40 115.13 2noc s VAL 7 Ca 0.07 -0.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.74 2noc s VAL 7 Cb -0.26 -2.43 0.17 0.00 0.56 0.00 0.00 36.38 34.42 2noc s VAL 7 CO 0.05 0.53 0.50 0.00 -0.31 0.00 0.00 175.10 175.88 2noc s MET 8 N 0.06 0.75 -0.60 4.82 0.23 -1.26 -5.07 119.30 118.24 2noc s MET 8 Ca -0.03 -0.68 0.05 0.00 -1.03 0.00 0.00 55.69 54.00 2noc s MET 8 Cb -0.14 -0.38 0.19 0.00 -1.53 0.00 0.00 34.83 32.97 2noc s MET 8 CO 0.04 -1.21 0.50 1.28 -2.03 0.00 0.00 175.02 173.60 2noc n LEU 9 N 4.18 2.08 -4.86 0.18 4.77 -1.26 -5.09 117.00 117.00 2noc n LEU 9 Ca 0.12 -5.01 -0.36 0.00 -0.03 0.00 0.00 56.01 50.74 2noc n LEU 9 Cb 0.51 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2noc n LEU 9 CO 0.05 1.86 -0.19 -0.83 -1.33 0.00 0.00 177.39 176.95 2noc s GLY 10 N -1.25 2.12 -0.28 -0.72 0.00 -1.26 -5.08 107.32 100.85 2noc s GLY 10 Ca 0.30 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2noc s GLY 10 CO -0.15 -0.47 0.50 0.00 0.00 0.00 0.00 173.10 172.98 2noc s ALA 11 N -1.08 -1.76 -1.06 3.20 0.00 -1.26 -5.08 121.76 114.72 2noc s ALA 11 Ca 0.18 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 2noc s ALA 11 Cb -0.12 -2.10 0.14 0.00 0.00 0.00 0.00 23.12 21.04 2noc s ALA 11 CO 0.07 -1.50 1.30 -0.51 0.00 0.00 0.00 175.76 175.12 2noc s LEU 12 N 2.70 4.88 -0.29 0.00 1.43 -1.26 -4.89 118.68 121.25 2noc s LEU 12 Ca 0.14 -2.38 -0.04 0.00 -1.03 0.00 0.00 54.13 50.82 2noc s LEU 12 Cb -0.14 -2.42 0.10 0.00 0.03 0.00 0.00 46.19 43.76 2noc s LEU 12 CO -0.23 -0.98 0.13 0.00 0.23 0.00 0.00 176.35 175.50 2noc s ALA 13 N 2.51 0.71 -0.29 4.21 0.00 -1.26 -5.08 121.76 122.56 2noc s ALA 13 Ca 0.38 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2noc s ALA 13 Cb -0.03 -1.41 0.17 0.00 0.00 0.00 0.00 23.12 21.85 2noc s ALA 13 CO -0.05 -1.65 0.49 0.12 0.00 0.00 0.00 175.76 174.66 2noc s PHE 14 N 2.05 -1.34 -0.08 0.00 5.36 -1.26 -5.10 117.98 117.60 2noc s PHE 14 Ca 0.09 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2noc s PHE 14 Cb -0.16 0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 2noc s PHE 14 CO -0.36 -0.99 -0.07 0.14 -1.46 0.00 0.00 175.22 172.49 2noc s VAL 15 N 2.67 3.72 -0.31 3.12 -7.23 -1.26 -5.09 120.40 116.02 2noc s VAL 15 Ca 0.11 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2noc s VAL 15 Cb -0.12 -2.54 0.09 0.00 0.56 0.00 0.00 36.38 34.37 2noc s VAL 15 CO -0.27 0.58 0.00 -0.69 -0.31 0.00 0.00 175.10 174.42 2noc s VAL 16 N -0.62 2.09 0.12 1.32 1.01 -1.26 -4.96 120.40 118.10 2noc s VAL 16 Ca 0.09 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.11 2noc s VAL 16 Cb -0.12 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2noc s VAL 16 CO 0.02 -0.41 -0.09 0.42 0.00 0.00 0.00 175.10 175.04 2noc s THR 17 N 1.05 0.97 -0.27 3.92 -4.23 -1.26 -5.13 115.64 110.69 2noc s THR 17 Ca 0.04 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2noc s THR 17 Cb -0.19 -1.65 0.09 0.00 1.34 0.00 0.00 72.50 72.08 2noc s THR 17 CO -0.08 -0.73 0.11 0.21 -0.54 0.00 0.00 174.62 173.59 2noc s ASN 18 N -2.92 3.44 0.28 3.99 2.47 -1.26 -5.13 114.94 115.80 2noc s ASN 18 Ca 0.12 -1.24 -0.07 0.00 0.42 0.00 0.00 52.86 52.09 2noc s ASN 18 Cb 0.02 -0.48 -0.06 0.00 -1.45 0.00 0.00 41.25 39.27 2noc s ASN 18 CO -0.01 -0.41 0.57 0.54 -3.72 0.00 0.00 177.10 174.07 2noc s VAL 19 N 1.97 4.97 1.06 -5.21 0.11 -1.26 -5.09 120.40 116.96 2noc s VAL 19 Ca 0.07 0.26 -0.13 0.00 -2.93 0.00 0.00 61.98 59.26 2noc s VAL 19 Cb -0.16 -3.69 0.23 0.00 -1.53 0.00 0.00 36.38 31.22 2noc s VAL 19 CO -0.28 -0.24 1.07 -0.31 -3.33 0.00 0.00 175.10 172.01 2noc s TYR 20 N -2.01 1.81 -0.75 1.54 2.02 -1.26 -4.86 117.35 113.84 2noc s TYR 20 Ca 0.46 1.06 -0.26 0.00 -0.37 0.00 0.00 57.07 57.97 2noc s TYR 20 Cb -0.11 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 2noc s TYR 20 CO 0.27 -3.28 1.94 0.00 -1.57 0.00 0.00 175.55 172.91 2noc s ALA 21 N -2.77 1.85 -0.33 3.71 0.00 -1.26 -4.04 121.76 118.92 2noc s ALA 21 Ca 0.67 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 2noc s ALA 21 Cb -0.21 -4.44 0.01 0.00 0.00 0.00 0.00 23.12 18.49 2noc s ALA 21 CO 0.60 -4.44 0.38 0.00 0.00 0.00 0.00 175.76 172.30 2noc n ALA 22 N 13.68 -3.10 -2.79 0.00 0.00 -0.61 -4.94 120.51 122.75 2noc n ALA 22 Ca 0.31 0.84 -0.16 0.00 0.00 0.00 0.00 53.44 54.43 2noc n ALA 22 Cb 0.49 -2.58 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 2noc n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2noc s GLU 23 N -2.09 1.94 0.26 0.00 2.02 -1.02 -4.84 118.70 114.98 2noc s GLU 23 Ca 0.16 -1.85 -0.18 0.00 0.02 0.00 0.00 54.97 53.11 2noc s GLU 23 Cb -0.04 0.43 -0.09 0.00 0.10 0.00 0.00 34.13 34.53 2noc s GLU 23 CO 0.63 -0.79 0.74 0.42 0.02 0.00 0.00 175.26 176.28 2noc s ILE 24 N -3.00 4.58 0.24 -1.63 -1.09 -1.26 -0.87 121.20 118.17 2noc s ILE 24 Ca 0.33 1.21 0.05 0.00 -2.23 0.00 0.00 60.65 60.01 2noc s ILE 24 Cb -0.00 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 2noc s ILE 24 CO 0.23 0.07 -0.05 -0.04 -1.23 0.00 0.00 174.94 173.92 2noc s MET 25 N -2.32 1.39 0.37 2.79 -1.94 -1.26 -4.97 119.30 113.36 2noc s MET 25 Ca 0.47 -1.68 -0.28 0.00 -1.71 0.00 0.00 55.69 52.49 2noc s MET 25 Cb -0.15 -0.88 -0.11 0.00 2.01 0.00 0.00 34.83 35.71 2noc s MET 25 CO 0.20 0.01 1.44 0.15 -0.01 0.00 0.00 175.02 176.81 2noc s LYS 26 N -3.77 4.14 0.39 2.03 1.02 -1.26 -4.84 119.74 117.45 2noc s LYS 26 Ca 0.27 2.49 0.20 0.00 0.02 0.00 0.00 55.97 58.94 2noc s LYS 26 Cb 0.04 -2.97 0.73 0.00 -0.52 0.00 0.00 37.83 35.10 2noc s LYS 26 CO 0.09 -0.47 1.75 0.87 -0.92 0.00 0.00 175.35 176.67 2noc h LYS 27 N 3.05 0.00 0.00 1.68 1.57 -2.00 0.28 116.57 121.16 2noc h LYS 27 Ca -0.50 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2noc h LYS 27 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2noc h LYS 27 CO 0.64 0.34 -0.00 1.15 -0.57 0.00 0.00 179.45 181.01 2noc h THR 28 N 0.00 1.21 -0.55 -0.16 2.02 -2.00 -0.27 112.91 113.16 2noc h THR 28 Ca -0.00 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 2noc h THR 28 Cb 0.86 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2noc h THR 28 CO 0.04 0.16 -0.08 0.44 0.37 0.00 0.00 175.52 176.46 2noc h ASP 29 N -0.27 1.03 -0.48 4.18 5.19 -1.89 -2.81 116.42 121.37 2noc h ASP 29 Ca -0.00 -0.34 0.08 0.00 -0.62 0.00 0.00 57.03 56.15 2noc h ASP 29 Cb 0.27 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 39.44 2noc h ASP 29 CO 0.00 1.13 0.12 0.15 -3.12 0.00 0.00 179.24 177.52 2noc h PHE 30 N 0.91 0.20 -0.21 4.55 3.57 -0.32 0.57 116.94 126.21 2noc h PHE 30 Ca 0.15 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2noc h PHE 30 Cb 0.65 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2noc h PHE 30 CO 0.05 0.03 -0.18 0.22 -2.23 0.00 0.00 178.31 176.20 2noc h ASP 31 N 0.27 0.35 0.90 0.41 3.58 -0.96 0.95 116.42 121.92 2noc h ASP 31 Ca 0.24 -0.09 -0.22 0.00 0.42 0.00 0.00 57.03 57.37 2noc h ASP 31 Cb 0.29 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2noc h ASP 31 CO -0.29 0.55 -1.15 0.11 -2.88 0.00 0.00 179.24 175.58 2noc h LYS 32 N 0.34 0.00 0.00 0.28 6.56 -1.01 -3.26 116.57 119.48 2noc h LYS 32 Ca 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2noc h LYS 32 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2noc h LYS 32 CO 0.03 0.81 -0.62 -0.39 -2.06 0.00 0.00 179.45 177.22 2noc h VAL 33 N 0.00 0.00 -0.22 0.50 -1.51 0.27 -3.28 116.25 112.02 2noc h VAL 33 Ca -0.08 -0.93 0.06 0.00 -1.23 0.00 0.00 66.70 64.52 2noc h VAL 33 Cb 1.79 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.55 2noc h VAL 33 CO 0.11 0.00 0.23 0.00 -1.23 0.00 0.00 177.57 176.68 2noc h ALA 34 N 2.07 1.88 -0.77 5.19 0.00 -0.85 0.26 119.26 127.05 2noc h ALA 34 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2noc h ALA 34 Cb 0.96 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2noc h ALA 34 CO 0.00 -0.34 0.51 1.03 0.00 0.00 0.00 179.25 180.45 2noc h SER 35 N 0.00 0.87 -0.58 0.00 0.87 -1.71 -3.17 113.55 109.83 2noc h SER 35 Ca 0.10 -0.02 -0.43 0.00 -1.23 0.00 0.00 61.79 60.22 2noc h SER 35 Cb 0.55 -0.21 -0.34 0.00 -0.44 0.00 0.00 62.40 61.97 2noc h SER 35 CO -0.00 0.62 -0.76 -0.62 -0.53 0.00 0.00 176.83 175.54 2noc n GLU 36 N -4.57 3.13 -3.69 2.24 1.02 0.00 -4.99 120.64 113.80 2noc n GLU 36 Ca 0.08 -3.96 -0.19 0.00 -0.02 0.00 0.00 57.16 53.07 2noc n GLU 36 Cb 0.04 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.29 2noc n GLU 36 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2noc n TYR 37 N -0.79 0.32 -4.08 -0.32 4.02 -0.72 -3.52 117.16 112.09 2noc n TYR 37 Ca 0.38 -1.75 -0.17 0.00 -0.01 0.00 0.00 57.90 56.35 2noc n TYR 37 Cb 0.91 -0.08 -0.15 0.00 -0.02 0.00 0.00 39.34 40.00 2noc n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2noc s THR 38 N -2.47 0.34 -0.16 -0.72 2.01 0.16 -4.81 115.64 109.99 2noc s THR 38 Ca 0.09 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 2noc s THR 38 Cb 0.00 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 2noc s THR 38 CO 0.07 0.13 1.11 -0.75 -0.69 0.00 0.00 174.62 174.49 2noc s LYS 39 N 0.38 4.31 0.00 4.92 2.47 -1.26 0.23 119.74 130.79 2noc s LYS 39 Ca -0.04 1.49 0.05 0.00 -1.56 0.00 0.00 55.97 55.90 2noc s LYS 39 Cb -0.07 -3.63 0.09 0.00 -1.46 0.00 0.00 37.83 32.76 2noc s LYS 39 CO -0.01 -0.54 0.92 0.44 0.16 0.00 0.00 175.35 176.32 2noc n ILE 40 N 5.02 0.58 0.00 5.43 -5.35 -1.22 -4.95 119.36 118.87 2noc n ILE 40 Ca 0.11 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 2noc n ILE 40 Cb 0.46 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 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 0.08 1.51 3.78 3.28 0.00 -1.26 -5.01 105.19 107.57 2noc n GLY 41 Ca 0.04 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.50 4.51 0.29 2.61 2.01 -1.26 -2.37 115.64 119.93 2noc s THR 42 Ca 0.00 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.20 2noc s THR 42 Cb 0.00 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 2noc s THR 42 CO 0.00 0.05 -0.07 0.27 -0.69 0.00 0.00 174.62 174.18 2noc s ILE 43 N -1.51 1.78 0.34 1.82 -4.36 0.89 -4.98 121.20 115.19 2noc s ILE 43 Ca 0.30 -2.15 0.05 0.00 -0.26 0.00 0.00 60.65 58.59 2noc s ILE 43 Cb -0.11 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 2noc s ILE 43 CO 0.22 -0.29 0.34 -0.94 0.24 0.00 0.00 174.94 174.51 2noc s SER 44 N -3.47 1.59 -0.06 4.36 1.04 -1.26 0.08 113.70 115.98 2noc s SER 44 Ca 0.30 -1.72 0.03 0.00 0.48 0.00 0.00 55.95 55.03 2noc s SER 44 Cb 0.03 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2noc s SER 44 CO 0.13 -1.14 -0.15 0.42 0.98 0.00 0.00 173.24 173.47 2noc s THR 45 N -3.27 1.34 0.26 2.02 -4.23 -0.51 -4.87 115.64 106.39 2noc s THR 45 Ca 0.38 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 60.36 2noc s THR 45 Cb 0.01 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.61 2noc s THR 45 CO 0.27 0.40 -0.12 0.28 -0.54 0.00 0.00 174.62 174.91 2noc s THR 46 N 0.45 1.91 0.00 3.99 -1.32 -1.26 -4.25 115.64 115.16 2noc s THR 46 Ca -0.12 -2.22 0.00 0.00 -1.21 0.00 0.00 61.69 58.13 2noc s THR 46 Cb -0.15 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 2noc s THR 46 CO 0.04 -0.41 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 2noc n GLY 47 N -0.54 3.08 2.53 6.08 0.00 -1.26 -4.69 105.19 110.38 2noc n GLY 47 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 2noc n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2noc n GLU 48 N -0.94 -3.36 -4.06 1.61 1.02 -1.26 -5.01 120.64 108.64 2noc n GLU 48 Ca 0.00 2.69 -0.25 0.00 -0.02 0.00 0.00 57.16 59.57 2noc n GLU 48 Cb 0.00 -4.75 -0.05 0.00 -0.02 0.00 0.00 31.44 26.62 2noc n GLU 48 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2noc n MET 49 N 0.87 1.01 -1.74 3.49 2.81 -1.26 -4.81 117.12 117.50 2noc n MET 49 Ca -0.11 -2.91 -0.38 0.00 -1.81 0.00 0.00 57.70 52.48 2noc n MET 49 Cb 0.17 0.74 0.04 0.00 -0.71 0.00 0.00 33.22 33.47 2noc n MET 49 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2noc n SER 50 N -1.29 2.64 -0.34 7.83 7.64 -1.26 -4.24 113.62 124.61 2noc n SER 50 Ca -0.16 0.97 -0.01 0.00 1.01 0.00 0.00 58.87 60.68 2noc n SER 50 Cb 0.51 -1.58 0.12 0.00 -1.01 0.00 0.00 64.21 62.25 2noc n SER 50 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2noc h PRO 51 N 1.37 1.14 -0.46 1.43 0.13 -1.85 0.15 132.00 133.92 2noc h PRO 51 Ca -0.51 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.46 2noc h PRO 51 Cb 1.31 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2noc h PRO 51 CO 0.57 0.75 -0.09 1.25 -0.23 0.00 0.00 178.00 180.25 2noc h LEU 52 N 1.17 0.87 -0.61 1.56 6.46 -1.91 0.94 115.31 123.79 2noc h LEU 52 Ca 0.36 -0.35 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 2noc h LEU 52 Cb -0.02 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 2noc h LEU 52 CO -0.11 1.02 0.24 0.44 -0.62 0.00 0.00 178.44 179.40 2noc h ASP 53 N 0.71 0.85 -0.15 1.25 3.32 -1.68 -1.39 116.42 119.32 2noc h ASP 53 Ca 0.12 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 2noc h ASP 53 Cb 0.63 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2noc h ASP 53 CO 0.04 0.79 -0.14 0.00 -1.72 0.00 0.00 179.24 178.21 2noc h ALA 54 N 1.09 1.19 -0.07 3.45 0.00 -0.54 -1.82 119.26 122.55 2noc h ALA 54 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2noc h ALA 54 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2noc h ALA 54 CO -0.02 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.80 2noc h ARG 55 N 0.49 0.10 -0.36 0.00 3.08 -0.25 -0.68 114.38 116.75 2noc h ARG 55 Ca 0.09 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2noc h ARG 55 Cb 0.54 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2noc h ARG 55 CO 0.03 0.07 0.12 0.93 -1.07 0.00 0.00 179.97 180.06 2noc h GLU 56 N 0.09 0.51 -0.29 0.04 5.08 -0.95 0.37 114.58 119.43 2noc h GLU 56 Ca 0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2noc h GLU 56 Cb -0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2noc h GLU 56 CO -0.01 0.44 0.02 0.22 -1.00 0.00 0.00 179.01 178.69 2noc h ASP 57 N 0.51 0.48 0.10 1.42 3.58 -0.98 0.38 116.42 121.90 2noc h ASP 57 Ca 0.12 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2noc h ASP 57 Cb 0.14 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2noc h ASP 57 CO -0.01 0.65 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.88 2noc h LEU 58 N 0.29 -0.11 -0.04 2.28 3.38 -0.20 -0.16 115.31 120.76 2noc h LEU 58 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2noc h LEU 58 Cb 0.39 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2noc h LEU 58 CO 0.01 0.07 0.02 0.40 0.09 0.00 0.00 178.44 179.04 2noc h ILE 59 N -0.29 1.02 -0.04 1.22 2.04 -0.27 0.48 117.51 121.68 2noc h ILE 59 Ca -0.01 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.63 2noc h ILE 59 Cb 0.24 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2noc h ILE 59 CO 0.02 0.02 -0.68 0.11 0.00 0.00 0.00 178.15 177.62 2noc h LYS 60 N 0.03 0.18 -0.36 2.37 1.79 -0.94 0.12 116.57 119.77 2noc h LYS 60 Ca 0.01 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.26 2noc h LYS 60 Cb 0.01 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2noc h LYS 60 CO -0.00 0.79 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.85 2noc h LYS 61 N 0.12 0.69 0.07 3.15 3.64 -0.84 0.53 116.57 123.94 2noc h LYS 61 Ca -0.01 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2noc h LYS 61 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2noc h LYS 61 CO 0.10 0.85 -0.03 0.00 -2.27 0.00 0.00 179.45 178.10 2noc h ALA 62 N 0.82 -0.09 -0.74 5.00 0.00 -0.77 -1.13 119.26 122.35 2noc h ALA 62 Ca 0.09 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2noc h ALA 62 Cb 0.59 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2noc h ALA 62 CO 0.04 -0.54 0.44 0.22 0.00 0.00 0.00 179.25 179.40 2noc h ASP 63 N -0.11 0.67 0.29 0.00 3.58 -0.61 0.28 116.42 120.51 2noc h ASP 63 Ca -0.01 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 2noc h ASP 63 Cb 0.09 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2noc h ASP 63 CO 0.02 0.43 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.30 2noc h GLU 64 N 0.80 0.00 -0.30 0.28 5.08 0.27 -0.42 114.58 120.29 2noc h GLU 64 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2noc h GLU 64 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2noc h GLU 64 CO -0.17 0.18 0.00 1.17 -1.00 0.00 0.00 179.01 179.19 2noc n LYS 65 N -4.00 2.10 -0.47 2.33 4.81 -0.41 -4.93 118.16 117.60 2noc n LYS 65 Ca -0.02 -1.67 0.00 0.00 -0.87 0.00 0.00 58.31 55.75 2noc n LYS 65 Cb 0.26 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.87 2noc n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2noc n GLY 66 N 1.30 0.75 3.76 3.14 0.00 -0.17 -5.04 105.19 108.95 2noc n GLY 66 Ca 0.17 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.90 -0.21 4.61 0.00 0.82 -4.77 121.76 123.11 2noc s ALA 67 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 2noc s ALA 67 Cb 0.00 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 2noc s ALA 67 CO 0.00 -0.86 -0.22 -0.25 0.00 0.00 0.00 175.76 174.43 2noc n ASP 68 N -0.71 2.07 -4.29 0.00 9.92 0.28 -3.30 116.55 120.51 2noc n ASP 68 Ca 0.09 0.04 -0.31 0.00 -0.53 0.00 0.00 54.79 54.07 2noc n ASP 68 Cb 0.47 -0.45 -0.16 0.00 -0.64 0.00 0.00 41.12 40.35 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 -2.40 2.08 0.03 2.53 1.01 -0.01 -1.57 120.40 122.07 2noc s VAL 69 Ca -0.29 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 60.69 2noc s VAL 69 Cb 0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2noc s VAL 69 CO 0.43 0.57 -0.19 0.68 0.00 0.00 0.00 175.10 176.60 2noc s VAL 70 N -0.37 2.73 -0.06 2.92 -7.23 -0.05 -0.06 120.40 118.28 2noc s VAL 70 Ca 0.03 -1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2noc s VAL 70 Cb -0.12 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2noc s VAL 70 CO 0.02 0.37 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.46 2noc s VAL 71 N -0.89 0.47 -0.82 1.32 1.01 0.19 -4.21 120.40 117.47 2noc s VAL 71 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 2noc s VAL 71 Cb -0.10 -0.56 0.09 0.00 0.00 0.00 0.00 36.38 35.80 2noc s VAL 71 CO 0.04 0.24 1.13 -0.76 0.00 0.00 0.00 175.10 175.75 2noc s LEU 72 N 1.41 4.40 0.03 3.92 1.43 -1.26 -0.28 118.68 128.33 2noc s LEU 72 Ca -0.03 -1.41 0.09 0.00 -1.03 0.00 0.00 54.13 51.74 2noc s LEU 72 Cb -0.13 -2.45 -0.23 0.00 0.03 0.00 0.00 46.19 43.42 2noc s LEU 72 CO -0.03 -1.34 0.95 0.71 0.23 0.00 0.00 176.35 176.87 2noc h THR 73 N 6.06 1.25 -0.26 5.49 1.35 -1.92 -3.46 112.91 121.41 2noc h THR 73 Ca -0.04 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 2noc h THR 73 Cb 1.04 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2noc h THR 73 CO 1.20 0.73 0.00 -1.54 -0.25 0.00 0.00 175.52 175.66 2noc n SER 74 N -3.22 0.00 0.00 5.36 3.41 -1.21 -5.07 113.62 112.89 2noc n SER 74 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2noc n SER 74 Cb 1.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2noc n GLY 75 N 5.00 5.53 3.15 5.00 0.00 -1.26 -4.97 105.19 117.64 2noc n GLY 75 Ca 0.00 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.31 2noc n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2noc s GLN 76 N 1.82 0.05 0.00 1.61 0.74 -1.26 -4.58 119.66 118.03 2noc s GLN 76 Ca 0.00 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.48 2noc s GLN 76 Cb 0.00 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.15 2noc s GLN 76 CO 0.00 -0.07 0.48 2.41 -0.55 0.00 0.00 175.29 177.56 2noc n THR 77 N 5.30 0.00 0.00 -0.34 -1.04 -1.26 -5.05 114.28 111.88 2noc n THR 77 Ca -0.01 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 62.93 2noc n THR 77 Cb 0.56 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.63 0.00 0.08 -2.82 2.13 -1.26 -4.98 120.64 113.16 2noc n GLU 78 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 2noc n GLU 78 Cb 0.00 0.00 0.33 0.00 0.27 0.00 0.00 31.44 32.04 2noc n GLU 78 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2noc h ASN 79 N 0.00 0.32 -3.79 4.31 -0.73 -1.97 -3.19 115.58 110.53 2noc h ASN 79 Ca 0.00 -0.07 -0.28 0.00 1.87 0.00 0.00 56.30 57.82 2noc h ASN 79 Cb 0.00 -0.08 -0.29 0.00 0.27 0.00 0.00 38.32 38.22 2noc h ASN 79 CO 0.00 0.49 -0.74 -1.59 -0.37 0.00 0.00 177.43 175.22 2noc s LYS 80 N -4.70 0.20 -0.00 6.67 -2.85 -1.26 -4.07 119.74 113.72 2noc s LYS 80 Ca -0.06 -0.07 -0.19 0.00 -1.00 0.00 0.00 55.97 54.65 2noc s LYS 80 Cb 0.15 -0.21 0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2noc s LYS 80 CO 0.75 0.04 0.41 0.96 0.10 0.00 0.00 175.35 177.60 2noc s ILE 81 N 0.03 0.05 -0.21 3.79 -4.36 -1.26 -4.36 121.20 114.88 2noc s ILE 81 Ca 0.00 -0.39 0.12 0.00 -0.26 0.00 0.00 60.65 60.12 2noc s ILE 81 Cb -0.02 -0.79 0.44 0.00 1.25 0.00 0.00 42.46 43.34 2noc s ILE 81 CO -0.00 -0.21 1.20 1.41 0.24 0.00 0.00 174.94 177.58 2noc n HIS 82 N 0.98 0.79 -1.44 1.37 8.25 -1.26 -4.03 115.22 119.89 2noc n HIS 82 Ca -0.20 -1.62 -0.36 0.00 -0.26 0.00 0.00 57.72 55.28 2noc n HIS 82 Cb 0.57 -0.26 0.09 0.00 1.12 0.00 0.00 29.99 31.51 2noc n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2noc n GLY 83 N -0.82 0.07 3.20 -1.41 0.00 -1.26 -4.39 105.19 100.59 2noc n GLY 83 Ca 0.24 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2noc n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2noc s THR 84 N -1.73 1.73 -0.08 2.61 -4.23 -1.26 -1.42 115.64 111.27 2noc s THR 84 Ca 0.77 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 2noc s THR 84 Cb -0.35 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 2noc s THR 84 CO 0.46 0.49 -0.22 0.00 -0.54 0.00 0.00 174.62 174.81 2noc s ALA 85 N -0.07 2.28 -0.21 3.99 0.00 0.11 -3.30 121.76 124.56 2noc s ALA 85 Ca -0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 2noc s ALA 85 Cb -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 2noc s ALA 85 CO 0.03 0.36 0.12 0.34 0.00 0.00 0.00 175.76 176.61 2noc s ASP 86 N 0.03 6.00 0.16 0.00 2.15 0.61 -0.07 116.67 125.54 2noc s ASP 86 Ca -0.08 0.14 0.09 0.00 0.43 0.00 0.00 52.55 53.12 2noc s ASP 86 Cb -0.15 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.37 2noc s ASP 86 CO 0.05 0.13 -0.13 0.27 -0.17 0.00 0.00 175.17 175.32 2noc s ILE 87 N 0.66 3.03 0.09 4.11 -4.36 -1.00 -0.64 121.20 123.09 2noc s ILE 87 Ca 0.07 -1.61 0.07 0.00 -0.26 0.00 0.00 60.65 58.92 2noc s ILE 87 Cb -0.12 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 2noc s ILE 87 CO 0.01 -0.03 -0.19 -0.31 0.24 0.00 0.00 174.94 174.66 2noc s TYR 88 N -1.49 1.67 -0.03 1.37 1.51 0.91 -3.46 117.35 117.82 2noc s TYR 88 Ca 0.22 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2noc s TYR 88 Cb -0.09 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2noc s TYR 88 CO 0.13 0.17 -0.18 0.21 -1.11 0.00 0.00 175.55 174.77 2noc s LYS 89 N -1.81 2.34 0.17 -0.62 2.47 0.14 -0.56 119.74 121.88 2noc s LYS 89 Ca 0.05 -0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 53.36 2noc s LYS 89 Cb -0.10 -2.26 -0.08 0.00 -1.46 0.00 0.00 37.83 33.93 2noc s LYS 89 CO 0.04 0.60 1.24 0.21 0.16 0.00 0.00 175.35 177.59 2noc s LYS 90 N -0.79 4.44 0.88 4.03 2.20 -1.26 0.36 119.74 129.60 2noc s LYS 90 Ca 0.11 1.93 -0.14 0.00 -0.36 0.00 0.00 55.97 57.52 2noc s LYS 90 Cb -0.10 -3.24 0.13 0.00 -1.51 0.00 0.00 37.83 33.11 2noc s LYS 90 CO 0.01 -0.17 1.23 0.15 -0.36 0.00 0.00 175.35 176.20 2noc s LYS 91 N -0.01 1.40 0.00 4.03 1.02 -1.23 -4.83 119.74 120.12 2noc s LYS 91 Ca 0.55 -0.07 0.22 0.00 0.02 0.00 0.00 55.97 56.69 2noc s LYS 91 Cb -0.34 -1.90 0.33 0.00 -0.52 0.00 0.00 37.83 35.40 2noc s LYS 91 CO 0.36 -1.95 1.30 1.47 -0.92 0.00 0.00 175.35 175.61 2noc n LEU 92 N -3.52 3.18 -4.52 3.17 -0.00 -1.26 -4.80 117.00 109.25 2noc n LEU 92 Ca 0.11 -1.36 -0.43 0.00 -0.00 0.00 0.00 56.01 54.32 2noc n LEU 92 Cb 0.60 -0.16 -0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2noc n LEU 92 CO 0.53 0.65 1.62 -0.70 -0.00 0.00 0.00 177.39 179.49 2noc s GLU 93 N -1.53 4.00 -0.06 1.47 2.12 -1.26 -4.83 118.70 118.61 2noc s GLU 93 Ca 0.33 -2.22 -0.31 0.00 0.36 0.00 0.00 54.97 53.13 2noc s GLU 93 Cb 0.20 -5.27 0.13 0.00 0.26 0.00 0.00 34.13 29.45 2noc s GLU 93 CO 0.29 -2.00 1.36 -3.38 -0.54 0.00 0.00 175.26 170.99 2noc s HIS 94 N 2.93 -0.02 -0.13 5.30 -3.43 -1.26 -4.97 115.29 113.71 2noc s HIS 94 Ca 0.47 -0.04 -0.13 0.00 -0.80 0.00 0.00 55.06 54.57 2noc s HIS 94 Cb 0.00 0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 31.63 2noc s HIS 94 CO 0.02 -0.14 0.28 -1.01 -2.00 0.00 0.00 174.74 171.89 2noc s HIS 95 N -2.19 3.53 0.22 0.38 3.76 -1.26 -5.03 115.29 114.70 2noc s HIS 95 Ca 0.17 0.65 -0.32 0.00 -0.15 0.00 0.00 55.06 55.40 2noc s HIS 95 Cb 0.06 -2.26 -0.13 0.00 1.11 0.00 0.00 32.58 31.35 2noc s HIS 95 CO -0.05 0.39 1.52 1.58 -0.85 0.00 0.00 174.74 177.34 2noc n HIS 96 N 3.00 2.37 -2.47 1.40 -0.00 -1.26 -4.94 115.22 113.33 2noc n HIS 96 Ca -0.14 0.32 -0.41 0.00 0.46 0.00 0.00 57.72 57.95 2noc n HIS 96 Cb 0.52 -2.53 -0.04 0.00 -0.12 0.00 0.00 29.99 27.83 2noc n HIS 96 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2noc s HIS 97 N 0.36 3.55 -0.13 1.57 2.46 -1.26 -4.90 115.29 116.94 2noc s HIS 97 Ca 0.71 1.61 -0.34 0.00 0.47 0.00 0.00 55.06 57.51 2noc s HIS 97 Cb -0.62 -3.31 -0.11 0.00 -0.13 0.00 0.00 32.58 28.41 2noc s HIS 97 CO 0.44 -0.70 1.96 -2.39 -2.47 0.00 0.00 174.74 171.58 2noc n HIS 98 N 1.91 2.22 0.00 3.88 1.44 -1.26 -5.32 115.22 118.09 2noc n HIS 98 Ca 0.01 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2noc n HIS 98 Cb 0.45 -2.66 0.00 0.00 0.12 0.00 0.00 29.99 27.90 2noc n HIS 98 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11