#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 0.00 -5.05 0.03 4.81 -1.26 -5.11 118.16 111.58 2noc n LYS 2 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2noc n LYS 2 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 2noc n LYS 2 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2noc s THR 3 N -2.00 1.72 0.00 3.15 2.01 -1.26 -5.03 115.64 114.23 2noc s THR 3 Ca 0.00 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2noc s THR 3 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2noc s THR 3 CO 0.00 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 2noc n GLY 4 N 2.83 -1.80 2.88 4.40 0.00 -1.26 -5.11 105.19 107.13 2noc n GLY 4 Ca -0.17 0.74 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 2.84 -0.53 1.61 2.02 -1.26 -5.01 117.35 117.02 2noc s TYR 5 Ca 0.00 -2.91 0.04 0.00 -0.37 0.00 0.00 57.07 53.82 2noc s TYR 5 Cb 0.00 -2.53 0.15 0.00 -0.40 0.00 0.00 41.96 39.18 2noc s TYR 5 CO 0.00 -0.77 0.35 0.15 -1.57 0.00 0.00 175.55 173.71 2noc s LYS 6 N 0.02 1.64 -0.00 -0.62 1.02 -1.26 -5.10 119.74 115.44 2noc s LYS 6 Ca 0.17 -2.53 -0.03 0.00 0.02 0.00 0.00 55.97 53.60 2noc s LYS 6 Cb -0.25 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2noc s LYS 6 CO -0.01 -1.25 0.19 0.14 -0.92 0.00 0.00 175.35 173.50 2noc s VAL 7 N -0.37 5.42 -0.19 3.17 -7.23 -1.26 -5.09 120.40 114.85 2noc s VAL 7 Ca 0.24 -0.14 -0.03 0.00 -1.81 0.00 0.00 61.98 60.23 2noc s VAL 7 Cb -0.11 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 2noc s VAL 7 CO -0.10 0.32 -0.06 -0.04 -0.31 0.00 0.00 175.10 174.90 2noc s MET 8 N -1.95 3.42 -0.07 4.82 -1.94 -1.26 -5.09 119.30 117.22 2noc s MET 8 Ca 0.28 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.67 2noc s MET 8 Cb -0.13 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 33.81 2noc s MET 8 CO 0.19 -0.04 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.47 2noc s LEU 9 N 1.06 1.88 -0.28 -0.03 1.43 -1.26 -5.11 118.68 116.37 2noc s LEU 9 Ca 0.01 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2noc s LEU 9 Cb -0.15 -1.07 0.16 0.00 0.03 0.00 0.00 46.19 45.16 2noc s LEU 9 CO -0.01 0.12 0.55 -0.83 0.23 0.00 0.00 176.35 176.41 2noc s GLY 10 N 0.32 -0.77 0.01 -3.19 0.00 -1.26 -5.15 107.32 97.28 2noc s GLY 10 Ca -0.11 1.73 0.02 0.00 0.00 0.00 0.00 44.72 46.36 2noc s GLY 10 CO 0.05 3.08 -0.06 0.00 0.00 0.00 0.00 173.10 176.16 2noc s ALA 11 N 2.78 0.48 0.16 3.20 0.00 -1.26 -5.16 121.76 121.96 2noc s ALA 11 Ca 0.12 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2noc s ALA 11 Cb -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2noc s ALA 11 CO -0.19 0.06 -0.08 -0.51 0.00 0.00 0.00 175.76 175.04 2noc s LEU 12 N -0.68 2.47 -0.27 0.00 1.43 -1.26 -5.00 118.68 115.37 2noc s LEU 12 Ca -0.03 -1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 51.98 2noc s LEU 12 Cb -0.05 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.86 2noc s LEU 12 CO 0.00 -0.37 0.17 0.00 0.23 0.00 0.00 176.35 176.39 2noc n ALA 13 N -0.22 -3.24 0.00 4.21 0.00 -1.26 -5.02 120.51 114.98 2noc n ALA 13 Ca -0.09 0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2noc n ALA 13 Cb 0.61 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2noc n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2noc n PHE 14 N 0.20 0.00 -3.07 0.00 7.35 -1.26 -5.09 117.46 115.59 2noc n PHE 14 Ca 0.03 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.49 2noc n PHE 14 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.97 2noc n PHE 14 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2noc s VAL 15 N -1.70 4.33 -0.16 -2.13 -7.23 -1.26 -5.09 120.40 107.16 2noc s VAL 15 Ca 0.00 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.63 2noc s VAL 15 Cb 0.00 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 2noc s VAL 15 CO 0.00 -0.42 0.14 0.68 -0.31 0.00 0.00 175.10 175.19 2noc s VAL 16 N -2.50 5.45 -0.04 1.32 -7.23 -1.26 -5.10 120.40 111.05 2noc s VAL 16 Ca 0.46 0.21 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 2noc s VAL 16 Cb -0.10 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 2noc s VAL 16 CO 0.38 0.53 0.16 0.42 -0.31 0.00 0.00 175.10 176.28 2noc s THR 17 N -0.32 5.41 0.60 5.32 -4.23 -1.26 -5.11 115.64 116.05 2noc s THR 17 Ca 0.12 -0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2noc s THR 17 Cb -0.12 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.33 2noc s THR 17 CO 0.01 0.41 0.83 0.20 -0.54 0.00 0.00 174.62 175.53 2noc s ASN 18 N -1.68 4.93 -0.20 3.99 0.01 -1.26 -5.11 114.94 115.63 2noc s ASN 18 Ca 0.24 -0.57 -0.09 0.00 -0.71 0.00 0.00 52.86 51.73 2noc s ASN 18 Cb -0.12 -0.01 0.08 0.00 0.41 0.00 0.00 41.25 41.60 2noc s ASN 18 CO 0.14 -1.43 0.46 0.54 -1.51 0.00 0.00 177.10 175.30 2noc s VAL 19 N -2.79 -0.34 0.34 1.60 0.11 -1.26 -5.11 120.40 112.95 2noc s VAL 19 Ca 0.62 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.79 2noc s VAL 19 Cb -0.06 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2noc s VAL 19 CO 0.40 0.05 0.41 -0.31 -3.33 0.00 0.00 175.10 172.32 2noc s TYR 20 N 2.02 1.31 0.59 1.54 2.02 -1.26 -5.18 117.35 118.37 2noc s TYR 20 Ca -0.06 -1.43 0.09 0.00 -0.37 0.00 0.00 57.07 55.31 2noc s TYR 20 Cb -0.10 -0.30 0.09 0.00 -0.40 0.00 0.00 41.96 41.26 2noc s TYR 20 CO -0.14 -1.05 0.77 0.00 -1.57 0.00 0.00 175.55 173.56 2noc s ALA 21 N -3.16 4.71 -0.68 3.71 0.00 -1.26 -4.80 121.76 120.28 2noc s ALA 21 Ca 0.34 -2.09 -0.36 0.00 0.00 0.00 0.00 51.96 49.84 2noc s ALA 21 Cb 0.01 -1.36 -0.18 0.00 0.00 0.00 0.00 23.12 21.58 2noc s ALA 21 CO 0.23 -0.88 2.39 0.00 0.00 0.00 0.00 175.76 177.50 2noc n ALA 22 N -2.24 0.41 -3.15 0.00 0.00 -0.58 -4.68 120.51 110.27 2noc n ALA 22 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2noc n ALA 22 Cb 0.62 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 2noc n ALA 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2noc s GLU 23 N 7.37 1.28 0.34 0.00 2.12 -1.18 -4.90 118.70 123.73 2noc s GLU 23 Ca 1.23 -0.88 -0.26 0.00 0.36 0.00 0.00 54.97 55.42 2noc s GLU 23 Cb -1.23 0.49 -0.09 0.00 0.26 0.00 0.00 34.13 33.56 2noc s GLU 23 CO 0.54 -0.52 1.01 0.42 -0.54 0.00 0.00 175.26 176.17 2noc s ILE 24 N -3.87 3.89 0.40 -3.70 -1.09 -1.25 -1.68 121.20 113.89 2noc s ILE 24 Ca 0.09 1.58 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 2noc s ILE 24 Cb 0.00 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 36.92 2noc s ILE 24 CO -0.04 0.14 0.01 -0.04 -1.23 0.00 0.00 174.94 173.78 2noc s MET 25 N -2.09 1.97 0.45 2.79 -1.94 -1.26 -4.97 119.30 114.27 2noc s MET 25 Ca 0.52 -2.05 -0.14 0.00 -1.71 0.00 0.00 55.69 52.30 2noc s MET 25 Cb -0.23 -1.69 -0.08 0.00 2.01 0.00 0.00 34.83 34.85 2noc s MET 25 CO 0.29 -0.03 0.88 0.15 -0.01 0.00 0.00 175.02 176.30 2noc s LYS 26 N -3.72 3.91 0.11 2.03 1.02 -1.26 -4.85 119.74 116.98 2noc s LYS 26 Ca 0.35 0.76 -0.27 0.00 0.02 0.00 0.00 55.97 56.84 2noc s LYS 26 Cb 0.08 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.06 2noc s LYS 26 CO 0.18 -0.14 1.64 -0.22 -0.92 0.00 0.00 175.35 175.89 2noc h LYS 27 N 1.20 -0.44 -0.34 1.68 1.63 -2.00 0.69 116.57 118.98 2noc h LYS 27 Ca -0.47 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.24 2noc h LYS 27 Cb 1.18 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2noc h LYS 27 CO 0.63 -0.29 -0.24 1.15 -3.45 0.00 0.00 179.45 177.24 2noc h THR 28 N -0.45 1.29 -0.17 1.00 2.02 -1.99 -1.73 112.91 112.87 2noc h THR 28 Ca 0.04 -1.39 -0.19 0.00 0.77 0.00 0.00 66.41 65.64 2noc h THR 28 Cb 0.49 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2noc h THR 28 CO -0.17 0.46 -0.65 0.44 0.37 0.00 0.00 175.52 175.97 2noc h ASP 29 N 0.55 0.74 -0.67 4.18 3.32 -1.92 -2.39 116.42 120.23 2noc h ASP 29 Ca 0.07 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 2noc h ASP 29 Cb 0.81 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2noc h ASP 29 CO 0.07 1.20 0.31 0.15 -1.72 0.00 0.00 179.24 179.25 2noc h PHE 30 N 0.47 0.98 -0.05 4.55 3.57 0.44 0.30 116.94 127.20 2noc h PHE 30 Ca -0.02 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2noc h PHE 30 Cb 1.24 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2noc h PHE 30 CO 0.06 0.74 -0.16 0.22 -2.23 0.00 0.00 178.31 176.94 2noc h ASP 31 N 0.94 0.07 0.60 0.41 3.58 -1.18 0.33 116.42 121.17 2noc h ASP 31 Ca 0.23 -0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.39 2noc h ASP 31 Cb 0.14 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2noc h ASP 31 CO -0.03 0.24 -1.53 0.11 -2.88 0.00 0.00 179.24 175.15 2noc h LYS 32 N 0.07 0.03 0.00 0.28 6.56 -0.86 -3.29 116.57 119.37 2noc h LYS 32 Ca 0.01 -0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.52 2noc h LYS 32 Cb 0.34 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2noc h LYS 32 CO 0.02 0.70 -0.34 -0.39 -2.06 0.00 0.00 179.45 177.38 2noc h VAL 33 N 0.01 0.19 0.00 0.50 -1.51 -0.16 -3.23 116.25 112.04 2noc h VAL 33 Ca -0.22 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 2noc h VAL 33 Cb 1.96 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 2noc h VAL 33 CO 0.10 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.55 2noc n ALA 34 N -2.15 1.16 0.02 5.19 0.00 0.12 -0.85 120.51 123.99 2noc n ALA 34 Ca 0.02 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 2noc n ALA 34 Cb 0.59 -1.33 0.29 0.00 0.00 0.00 0.00 19.45 19.01 2noc n ALA 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2noc h SER 35 N 0.00 0.46 -0.55 0.00 0.87 -1.70 -2.25 113.55 110.37 2noc h SER 35 Ca 0.00 -0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 2noc h SER 35 Cb 0.07 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 61.82 2noc h SER 35 CO 0.00 0.56 0.14 -0.62 -0.53 0.00 0.00 176.83 176.38 2noc n GLU 36 N -4.26 3.24 -4.31 2.24 1.02 -0.03 -4.97 120.64 113.57 2noc n GLU 36 Ca 0.01 -3.05 -0.16 0.00 -0.02 0.00 0.00 57.16 53.94 2noc n GLU 36 Cb 0.27 -2.06 -0.10 0.00 -0.02 0.00 0.00 31.44 29.53 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 -2.99 1.50 0.19 -0.32 1.51 -0.85 -0.74 117.35 115.65 2noc s TYR 37 Ca 0.50 -0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2noc s TYR 37 Cb 0.41 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 2noc s TYR 37 CO 0.10 -0.05 0.12 0.99 -1.11 0.00 0.00 175.55 175.60 2noc s THR 38 N -3.44 0.02 -0.09 -0.71 2.01 0.16 -4.85 115.64 108.74 2noc s THR 38 Ca 0.27 -1.97 0.01 0.00 0.31 0.00 0.00 61.69 60.30 2noc s THR 38 Cb 0.05 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 2noc s THR 38 CO 0.08 -0.09 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.06 2noc s LYS 39 N -4.14 3.00 -0.01 4.92 2.20 -1.26 0.39 119.74 124.84 2noc s LYS 39 Ca 0.36 -0.63 0.14 0.00 -0.36 0.00 0.00 55.97 55.48 2noc s LYS 39 Cb 0.07 -2.59 -0.17 0.00 -1.51 0.00 0.00 37.83 33.63 2noc s LYS 39 CO 0.10 0.46 0.49 0.44 -0.36 0.00 0.00 175.35 176.48 2noc n ILE 40 N 2.82 0.00 0.00 5.43 -5.35 -1.25 -4.95 119.36 116.06 2noc n ILE 40 Ca -0.18 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2noc n ILE 40 Cb 0.53 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 1.44 2.71 3.80 3.28 0.00 -1.26 -5.13 105.19 110.04 2noc n GLY 41 Ca 0.01 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 4.47 0.22 2.61 2.01 -1.26 -3.31 115.64 118.38 2noc s THR 42 Ca 0.00 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.87 2noc s THR 42 Cb 0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2noc s THR 42 CO 0.00 -0.16 0.01 0.27 -0.69 0.00 0.00 174.62 174.05 2noc s ILE 43 N -1.84 0.86 0.13 1.82 -4.36 0.80 -4.99 121.20 113.62 2noc s ILE 43 Ca 0.31 -2.01 -0.12 0.00 -0.26 0.00 0.00 60.65 58.57 2noc s ILE 43 Cb -0.10 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.30 2noc s ILE 43 CO 0.24 -0.31 0.32 -0.55 0.24 0.00 0.00 174.94 174.87 2noc s SER 44 N -3.27 -0.06 0.35 4.36 0.15 -1.26 -0.05 113.70 113.91 2noc s SER 44 Ca 0.29 -0.55 -0.26 0.00 0.70 0.00 0.00 55.95 56.13 2noc s SER 44 Cb 0.06 0.43 -0.10 0.00 -1.71 0.00 0.00 66.02 64.71 2noc s SER 44 CO 0.08 -0.84 1.00 -0.89 1.20 0.00 0.00 173.24 173.79 2noc s THR 45 N -3.86 3.96 -0.56 6.45 2.01 0.07 -4.86 115.64 118.85 2noc s THR 45 Ca 0.07 1.61 -0.18 0.00 0.31 0.00 0.00 61.69 63.49 2noc s THR 45 Cb 0.03 -3.88 0.10 0.00 0.01 0.00 0.00 72.50 68.75 2noc s THR 45 CO -0.09 0.11 0.63 -0.89 -0.69 0.00 0.00 174.62 173.69 2noc s THR 46 N -1.59 4.93 0.00 -0.82 2.01 -1.26 -4.86 115.64 114.05 2noc s THR 46 Ca 0.52 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2noc s THR 46 Cb -0.21 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 67.90 2noc s THR 46 CO 0.27 -0.97 0.00 0.61 -0.69 0.00 0.00 174.62 173.83 2noc n GLY 47 N 5.25 2.06 3.53 4.40 0.00 -1.26 -4.90 105.19 114.28 2noc n GLY 47 Ca -0.10 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2noc n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2noc s GLU 48 N -5.05 3.60 0.00 1.61 2.02 -1.26 -4.92 118.70 114.71 2noc s GLU 48 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.67 2noc s GLU 48 Cb 0.00 -5.24 0.00 0.00 0.10 0.00 0.00 34.13 28.99 2noc s GLU 48 CO 0.00 -2.09 0.00 -1.33 0.02 0.00 0.00 175.26 171.86 2noc n MET 49 N 8.23 1.99 -1.05 1.61 2.81 -1.26 -5.00 117.12 124.45 2noc n MET 49 Ca 0.31 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.89 2noc n MET 49 Cb 0.50 0.00 0.12 0.00 -0.71 0.00 0.00 33.22 33.14 2noc n MET 49 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2noc s SER 50 N -0.91 3.84 0.12 7.83 0.01 -1.26 -4.07 113.70 119.26 2noc s SER 50 Ca 0.00 1.92 -0.26 0.00 1.31 0.00 0.00 55.95 58.92 2noc s SER 50 Cb 0.00 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 2noc s SER 50 CO 0.00 -2.47 1.64 1.55 0.41 0.00 0.00 173.24 174.36 2noc h PRO 51 N -1.43 -0.39 -0.22 12.44 0.13 -1.68 0.14 132.00 140.99 2noc h PRO 51 Ca -0.44 0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 2noc h PRO 51 Cb 1.25 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2noc h PRO 51 CO 0.48 -0.26 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.73 2noc h LEU 52 N -0.40 0.39 -0.07 1.56 4.07 -1.93 0.16 115.31 119.09 2noc h LEU 52 Ca 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 2noc h LEU 52 Cb 0.48 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 2noc h LEU 52 CO -0.22 0.60 -0.04 0.44 -1.08 0.00 0.00 178.44 178.14 2noc h ASP 53 N 0.36 0.15 -0.61 -0.43 3.32 -1.80 0.12 116.42 117.53 2noc h ASP 53 Ca 0.06 -0.42 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 2noc h ASP 53 Cb 0.55 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2noc h ASP 53 CO 0.04 0.54 0.09 0.00 -1.72 0.00 0.00 179.24 178.19 2noc h ALA 54 N 0.62 0.97 -0.40 3.45 0.00 -0.48 -2.16 119.26 121.25 2noc h ALA 54 Ca 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2noc h ALA 54 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2noc h ALA 54 CO 0.01 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.96 2noc h ARG 55 N 0.97 0.68 -0.38 0.00 3.08 -0.67 -2.14 114.38 115.91 2noc h ARG 55 Ca 0.19 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2noc h ARG 55 Cb 0.43 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2noc h ARG 55 CO 0.01 0.73 0.26 0.93 -1.07 0.00 0.00 179.97 180.83 2noc h GLU 56 N 0.52 0.45 -0.26 0.04 4.39 -0.67 0.41 114.58 119.47 2noc h GLU 56 Ca 0.12 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 2noc h GLU 56 Cb 0.39 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2noc h GLU 56 CO 0.01 0.30 -0.37 0.22 -1.16 0.00 0.00 179.01 178.01 2noc h ASP 57 N 0.47 0.77 -0.28 1.42 3.58 -1.13 -2.18 116.42 119.07 2noc h ASP 57 Ca 0.15 -0.51 -0.06 0.00 0.42 0.00 0.00 57.03 57.02 2noc h ASP 57 Cb 0.02 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2noc h ASP 57 CO -0.03 1.13 -0.08 -0.07 -2.88 0.00 0.00 179.24 177.31 2noc h LEU 58 N 0.44 0.55 -0.15 2.28 3.38 -0.64 -2.16 115.31 119.01 2noc h LEU 58 Ca 0.03 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2noc h LEU 58 Cb 0.96 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2noc h LEU 58 CO 0.09 0.80 0.04 0.40 0.09 0.00 0.00 178.44 179.86 2noc h ILE 59 N 0.30 1.19 -0.27 1.22 2.04 -0.25 -0.11 117.51 121.63 2noc h ILE 59 Ca 0.07 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 2noc h ILE 59 Cb 0.56 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2noc h ILE 59 CO 0.03 0.18 -0.02 0.11 0.00 0.00 0.00 178.15 178.45 2noc h LYS 60 N 0.06 0.49 -0.57 2.37 1.57 -1.45 -1.98 116.57 117.05 2noc h LYS 60 Ca 0.05 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2noc h LYS 60 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2noc h LYS 60 CO -0.00 0.67 0.04 -0.22 -0.57 0.00 0.00 179.45 179.36 2noc h LYS 61 N 0.27 0.99 -0.66 3.15 3.64 -1.30 0.51 116.57 123.16 2noc h LYS 61 Ca 0.08 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2noc h LYS 61 Cb 0.46 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2noc h LYS 61 CO 0.02 0.97 0.34 0.00 -2.27 0.00 0.00 179.45 178.50 2noc h ALA 62 N 0.98 0.85 -0.19 5.00 0.00 -1.01 0.11 119.26 125.01 2noc h ALA 62 Ca 0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2noc h ALA 62 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2noc h ALA 62 CO 0.02 0.40 -0.36 0.22 0.00 0.00 0.00 179.25 179.53 2noc h ASP 63 N 0.91 0.41 0.46 0.00 3.58 -0.81 -1.40 116.42 119.57 2noc h ASP 63 Ca 0.23 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2noc h ASP 63 Cb 0.09 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2noc h ASP 63 CO -0.03 0.74 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.37 2noc h GLU 64 N 0.34 0.00 0.00 0.28 5.08 0.43 -2.29 114.58 118.42 2noc h GLU 64 Ca 0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2noc h GLU 64 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2noc h GLU 64 CO 0.06 0.37 -0.56 -0.22 -1.00 0.00 0.00 179.01 177.67 2noc h LYS 65 N 0.00 0.00 -0.33 2.33 1.63 -0.49 -3.48 116.57 116.23 2noc h LYS 65 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2noc h LYS 65 Cb 0.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2noc h LYS 65 CO 0.05 0.56 0.00 0.41 -3.45 0.00 0.00 179.45 177.02 2noc n GLY 66 N 1.23 0.99 3.91 5.01 0.00 -0.57 -5.09 105.19 110.67 2noc n GLY 66 Ca 0.02 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.33 3.40 -0.03 4.61 0.00 -0.97 -4.91 121.76 121.53 2noc s ALA 67 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.49 2noc s ALA 67 Cb 0.00 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 2noc s ALA 67 CO 0.00 -0.40 0.09 -0.25 0.00 0.00 0.00 175.76 175.20 2noc n ASP 68 N -2.29 3.48 -4.15 0.00 8.00 0.58 -3.73 116.55 118.44 2noc n ASP 68 Ca 0.01 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.27 2noc n ASP 68 Cb 0.55 1.02 -0.15 0.00 -0.02 0.00 0.00 41.12 42.52 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2noc s VAL 69 N -2.33 1.31 0.02 2.53 1.01 0.31 -1.53 120.40 121.73 2noc s VAL 69 Ca -0.03 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2noc s VAL 69 Cb 0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2noc s VAL 69 CO 0.27 0.37 -0.20 0.68 0.00 0.00 0.00 175.10 176.22 2noc s VAL 70 N -0.37 1.56 -0.05 2.92 -7.23 -0.67 -0.21 120.40 116.35 2noc s VAL 70 Ca 0.06 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.20 2noc s VAL 70 Cb -0.07 -1.33 0.03 0.00 0.56 0.00 0.00 36.38 35.57 2noc s VAL 70 CO -0.01 0.29 0.02 -0.69 -0.31 0.00 0.00 175.10 174.41 2noc s VAL 71 N -0.65 0.12 -0.85 1.32 1.01 -0.93 -3.92 120.40 116.51 2noc s VAL 71 Ca 0.07 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 2noc s VAL 71 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 2noc s VAL 71 CO 0.01 0.19 1.73 -0.76 0.00 0.00 0.00 175.10 176.27 2noc s LEU 72 N 1.73 3.27 0.25 3.92 1.43 -1.26 -0.07 118.68 127.95 2noc s LEU 72 Ca 0.00 -0.61 0.13 0.00 -1.03 0.00 0.00 54.13 52.62 2noc s LEU 72 Cb -0.13 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.63 2noc s LEU 72 CO -0.03 -2.26 1.45 0.00 0.23 0.00 0.00 176.35 175.73 2noc h THR 73 N 6.92 1.08 -4.04 5.49 1.03 -1.56 -3.47 112.91 118.36 2noc h THR 73 Ca -0.00 -2.41 -0.23 0.00 -0.01 0.00 0.00 66.41 63.75 2noc h THR 73 Cb 1.05 2.45 -0.08 0.00 -1.07 0.00 0.00 68.15 70.50 2noc h THR 73 CO 1.27 0.59 -0.19 -0.44 -0.01 0.00 0.00 175.52 176.75 2noc s SER 74 N -6.52 0.70 0.00 0.00 0.01 -0.38 -4.98 113.70 102.53 2noc s SER 74 Ca 0.03 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2noc s SER 74 Cb 0.09 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2noc s SER 74 CO 0.76 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2noc n GLY 75 N -0.52 -0.35 0.00 3.44 0.00 -1.23 -1.88 105.19 104.64 2noc n GLY 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2noc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2noc n GLN 76 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.20 117.38 119.55 2noc n GLN 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2noc n GLN 76 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2noc n GLN 76 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2noc n THR 77 N 0.00 0.00 0.17 5.09 -2.24 -1.11 -5.06 114.28 111.13 2noc n THR 77 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2noc n THR 77 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2noc n THR 77 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2noc n GLU 78 N -0.68 0.00 0.06 -0.78 2.13 -1.26 -4.94 120.64 115.18 2noc n GLU 78 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 2noc n GLU 78 Cb 0.00 0.00 0.52 0.00 0.27 0.00 0.00 31.44 32.23 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 0.28 -3.38 4.31 -0.73 -1.98 -3.32 115.58 110.75 2noc h ASN 79 Ca 0.00 -0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.65 2noc h ASN 79 Cb 0.00 -0.06 -0.34 0.00 0.27 0.00 0.00 38.32 38.19 2noc h ASN 79 CO 0.00 0.19 -0.81 -1.59 -0.37 0.00 0.00 177.43 174.85 2noc s LYS 80 N -5.31 1.72 -0.17 6.67 -2.85 -1.26 -3.92 119.74 114.62 2noc s LYS 80 Ca -0.07 -0.41 -0.09 0.00 -1.00 0.00 0.00 55.97 54.41 2noc s LYS 80 Cb 0.18 -1.46 0.06 0.00 -2.06 0.00 0.00 37.83 34.55 2noc s LYS 80 CO 0.72 -0.01 0.40 0.96 0.10 0.00 0.00 175.35 177.52 2noc s ILE 81 N 0.79 -0.10 -1.05 3.79 -4.36 -1.26 -2.74 121.20 116.28 2noc s ILE 81 Ca -0.12 0.11 -0.10 0.00 -0.26 0.00 0.00 60.65 60.27 2noc s ILE 81 Cb -0.15 -0.60 0.27 0.00 1.25 0.00 0.00 42.46 43.22 2noc s ILE 81 CO 0.02 0.04 1.04 -2.28 0.24 0.00 0.00 174.94 174.01 2noc s HIS 82 N 1.54 4.17 0.23 1.37 2.46 -1.26 -4.20 115.29 119.60 2noc s HIS 82 Ca -0.09 -2.55 -0.30 0.00 0.47 0.00 0.00 55.06 52.60 2noc s HIS 82 Cb -0.09 -3.84 -0.09 0.00 -0.13 0.00 0.00 32.58 28.44 2noc s HIS 82 CO -0.13 -0.96 1.04 0.20 -2.47 0.00 0.00 174.74 172.42 2noc s GLY 83 N 1.50 3.03 0.01 1.59 0.00 -1.26 -3.54 107.32 108.65 2noc s GLY 83 Ca 0.28 0.77 0.07 0.00 0.00 0.00 0.00 44.72 45.84 2noc s GLY 83 CO -0.08 1.44 -0.21 -1.59 0.00 0.00 0.00 173.10 172.65 2noc s THR 84 N -0.88 1.68 -0.03 0.90 2.01 -0.79 -0.75 115.64 117.79 2noc s THR 84 Ca 0.45 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2noc s THR 84 Cb -0.29 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.81 2noc s THR 84 CO 0.36 0.37 -0.05 0.00 -0.69 0.00 0.00 174.62 174.61 2noc s ALA 85 N -0.61 0.61 -0.27 7.40 0.00 0.92 -1.25 121.76 128.56 2noc s ALA 85 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 2noc s ALA 85 Cb -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2noc s ALA 85 CO 0.00 0.06 0.02 0.34 0.00 0.00 0.00 175.76 176.18 2noc s ASP 86 N 0.44 4.77 0.14 0.00 2.15 0.90 -0.14 116.67 124.93 2noc s ASP 86 Ca -0.06 -0.67 0.06 0.00 0.43 0.00 0.00 52.55 52.31 2noc s ASP 86 Cb -0.09 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 2noc s ASP 86 CO -0.00 -0.14 0.04 0.27 -0.17 0.00 0.00 175.17 175.18 2noc s ILE 87 N 1.46 4.10 0.10 4.11 -4.36 -1.21 -2.18 121.20 123.22 2noc s ILE 87 Ca 0.03 -1.13 0.05 0.00 -0.26 0.00 0.00 60.65 59.33 2noc s ILE 87 Cb -0.16 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.48 2noc s ILE 87 CO -0.00 -0.02 -0.13 -0.31 0.24 0.00 0.00 174.94 174.72 2noc s TYR 88 N -1.57 1.23 -0.02 1.37 1.51 0.71 -3.88 117.35 116.69 2noc s TYR 88 Ca 0.28 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2noc s TYR 88 Cb -0.11 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 2noc s TYR 88 CO 0.20 0.07 -0.18 0.21 -1.11 0.00 0.00 175.55 174.74 2noc s LYS 89 N -2.48 1.61 0.70 -0.62 2.47 0.16 -0.31 119.74 121.28 2noc s LYS 89 Ca 0.05 -0.65 -0.14 0.00 -1.56 0.00 0.00 55.97 53.67 2noc s LYS 89 Cb -0.05 -1.50 0.02 0.00 -1.46 0.00 0.00 37.83 34.83 2noc s LYS 89 CO 0.02 0.35 1.11 -1.59 0.16 0.00 0.00 175.35 175.40 2noc s LYS 90 N -0.29 2.59 0.72 4.03 -2.85 -1.26 0.36 119.74 123.04 2noc s LYS 90 Ca 0.04 1.36 0.01 0.00 -1.00 0.00 0.00 55.97 56.38 2noc s LYS 90 Cb -0.09 -1.93 0.14 0.00 -2.06 0.00 0.00 37.83 33.90 2noc s LYS 90 CO 0.00 -1.41 0.99 1.63 0.10 0.00 0.00 175.35 176.66 2noc n LYS 91 N -2.74 -0.05 -0.27 1.78 5.02 0.08 -4.73 118.16 117.25 2noc n LYS 91 Ca 0.10 -2.79 0.07 0.00 -2.02 0.00 0.00 58.31 53.67 2noc n LYS 91 Cb 0.52 -0.63 0.19 0.00 -0.02 0.00 0.00 35.03 35.09 2noc n LYS 91 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2noc n LEU 92 N 0.00 3.24 -1.44 -0.35 -0.00 -1.26 -4.52 117.00 112.67 2noc n LEU 92 Ca 0.17 -2.44 0.06 0.00 -0.00 0.00 0.00 56.01 53.80 2noc n LEU 92 Cb 0.60 -0.35 0.30 0.00 -0.00 0.00 0.00 43.42 43.97 2noc n LEU 92 CO 0.40 0.69 0.73 -0.62 -0.00 0.00 0.00 177.39 178.59 2noc n GLU 93 N -0.02 3.57 -2.59 1.47 1.02 -1.26 -4.90 120.64 117.93 2noc n GLU 93 Ca 0.15 -2.34 -0.43 0.00 -0.02 0.00 0.00 57.16 54.52 2noc n GLU 93 Cb 0.61 -1.92 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2noc n GLU 93 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2noc s HIS 94 N -2.06 2.80 0.39 -0.32 2.46 -1.26 -4.99 115.29 112.32 2noc s HIS 94 Ca 0.41 0.73 -0.27 0.00 0.47 0.00 0.00 55.06 56.40 2noc s HIS 94 Cb 0.29 -4.41 -0.09 0.00 -0.13 0.00 0.00 32.58 28.24 2noc s HIS 94 CO 0.16 -1.29 1.36 -3.38 -2.47 0.00 0.00 174.74 169.12 2noc s HIS 95 N 4.48 2.75 0.18 3.88 -3.43 -1.26 -4.78 115.29 117.12 2noc s HIS 95 Ca 0.49 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 56.08 2noc s HIS 95 Cb -0.08 -3.79 0.00 0.00 -1.43 0.00 0.00 32.58 27.28 2noc s HIS 95 CO 0.31 -2.38 0.00 0.72 -2.00 0.00 0.00 174.74 171.39 2noc n HIS 96 N 0.26 -1.14 -3.64 0.38 8.25 -1.26 -4.95 115.22 113.13 2noc n HIS 96 Ca 0.03 0.63 -0.20 0.00 -0.26 0.00 0.00 57.72 57.91 2noc n HIS 96 Cb 0.42 -1.04 0.04 0.00 1.12 0.00 0.00 29.99 30.54 2noc n HIS 96 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2noc n HIS 97 N -2.73 -1.97 -0.03 4.41 -0.00 -1.26 -4.92 115.22 108.72 2noc n HIS 97 Ca -0.03 0.85 0.03 0.00 -0.00 0.00 0.00 57.72 58.58 2noc n HIS 97 Cb 0.20 -4.51 -0.11 0.00 -0.00 0.00 0.00 29.99 25.57 2noc n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2noc n HIS 98 N -4.22 0.00 -0.52 4.41 -0.00 -1.26 -5.11 115.22 108.51 2noc n HIS 98 Ca -0.29 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.89 2noc n HIS 98 Cb 0.67 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2noc n HIS 98 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38