#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 2.44 0.25 0.03 2.47 -1.26 -5.07 119.74 118.61 2noc s LYS 2 Ca 0.00 -1.26 -0.21 0.00 -1.56 0.00 0.00 55.97 52.94 2noc s LYS 2 Cb 0.00 -3.19 0.03 0.00 -1.46 0.00 0.00 37.83 33.21 2noc s LYS 2 CO 0.00 -0.62 0.68 -0.08 0.16 0.00 0.00 175.35 175.49 2noc s THR 3 N 1.26 0.00 0.00 3.43 -1.32 -1.26 -5.15 115.64 112.60 2noc s THR 3 Ca -0.05 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2noc s THR 3 Cb -0.20 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 2noc s THR 3 CO -0.01 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2noc n GLY 4 N -0.44 -0.43 0.81 6.08 0.00 -1.26 -5.12 105.19 104.84 2noc n GLY 4 Ca -0.07 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.08 2noc n GLY 4 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2noc n TYR 5 N 0.00 -2.21 0.00 1.61 4.01 -1.26 -5.08 117.16 114.23 2noc n TYR 5 Ca 0.00 1.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.95 2noc n TYR 5 Cb 0.00 -2.05 0.00 0.00 -0.31 0.00 0.00 39.34 36.98 2noc n TYR 5 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2noc n LYS 6 N -2.62 0.00 -3.50 -0.72 5.02 -1.26 -5.13 118.16 109.95 2noc n LYS 6 Ca -0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.19 2noc n LYS 6 Cb 0.31 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.24 2noc n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2noc s VAL 7 N -0.05 -0.65 0.15 -0.18 0.11 -1.26 -4.81 120.40 113.71 2noc s VAL 7 Ca 0.00 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2noc s VAL 7 Cb 0.00 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2noc s VAL 7 CO 0.00 -0.01 0.23 -0.32 -3.33 0.00 0.00 175.10 171.67 2noc s MET 8 N 2.60 1.07 -0.40 1.54 1.75 -1.25 -4.92 119.30 119.69 2noc s MET 8 Ca 0.06 -1.19 -0.02 0.00 -1.25 0.00 0.00 55.69 53.29 2noc s MET 8 Cb -0.14 0.35 -0.02 0.00 2.84 0.00 0.00 34.83 37.86 2noc s MET 8 CO -0.15 -0.37 0.36 1.28 -0.65 0.00 0.00 175.02 175.49 2noc n LEU 9 N -0.17 -3.74 0.17 4.11 4.32 -1.26 0.02 117.00 120.44 2noc n LEU 9 Ca -0.08 -0.20 -0.07 0.00 -0.02 0.00 0.00 56.01 55.63 2noc n LEU 9 Cb 0.63 -1.78 -0.03 0.00 -1.62 0.00 0.00 43.42 40.61 2noc n LEU 9 CO 0.25 -0.15 0.27 1.23 -1.22 0.00 0.00 177.39 177.77 2noc h GLY 10 N -0.22 -0.48 -6.07 -0.72 0.00 -1.98 -3.13 103.07 90.46 2noc h GLY 10 Ca -0.17 0.18 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 2noc h GLY 10 CO 0.17 -0.18 -0.87 0.00 0.00 0.00 0.00 176.54 175.66 2noc n ALA 11 N -2.48 -2.61 -3.67 3.60 0.00 -1.26 -4.38 120.51 109.71 2noc n ALA 11 Ca -0.06 0.51 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 2noc n ALA 11 Cb 0.18 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.03 2noc n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2noc s LEU 12 N -2.95 -0.46 -0.27 0.00 2.96 -1.26 -4.90 118.68 111.80 2noc s LEU 12 Ca 0.26 0.92 -0.02 0.00 -0.22 0.00 0.00 54.13 55.07 2noc s LEU 12 Cb -0.04 1.28 0.11 0.00 0.50 0.00 0.00 46.19 48.04 2noc s LEU 12 CO 0.83 -0.22 0.22 0.00 -1.32 0.00 0.00 176.35 175.86 2noc s ALA 13 N 2.28 -0.02 0.35 5.97 0.00 -1.26 -5.11 121.76 123.97 2noc s ALA 13 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2noc s ALA 13 Cb -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2noc s ALA 13 CO -0.12 -1.59 0.00 1.19 0.00 0.00 0.00 175.76 175.24 2noc n PHE 14 N 5.29 -2.57 -2.82 0.00 3.72 -1.26 -4.95 117.46 114.87 2noc n PHE 14 Ca -0.04 1.37 -0.05 0.00 -0.05 0.00 0.00 57.45 58.67 2noc n PHE 14 Cb 0.45 -2.33 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 2noc n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2noc s VAL 15 N -3.12 -0.91 -0.14 -4.37 0.11 -1.26 -5.03 120.40 105.68 2noc s VAL 15 Ca 0.00 -1.06 0.05 0.00 -2.93 0.00 0.00 61.98 58.04 2noc s VAL 15 Cb 0.00 -0.09 -0.12 0.00 -1.53 0.00 0.00 36.38 34.64 2noc s VAL 15 CO 0.00 -0.08 -0.06 0.55 -3.33 0.00 0.00 175.10 172.17 2noc n VAL 16 N 3.01 0.88 -2.09 2.04 3.14 -1.26 -4.74 118.33 119.31 2noc n VAL 16 Ca 0.18 -0.42 -0.42 0.00 -2.96 0.00 0.00 64.34 60.72 2noc n VAL 16 Cb 0.55 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 2noc n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2noc n THR 17 N -2.75 3.69 -2.97 1.55 -1.04 -1.26 -4.89 114.28 106.61 2noc n THR 17 Ca -0.25 -3.50 -0.43 0.00 -2.04 0.00 0.00 64.05 57.83 2noc n THR 17 Cb 0.84 -2.50 -0.05 0.00 -1.82 0.00 0.00 70.33 66.80 2noc n THR 17 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2noc s ASN 18 N 3.45 6.31 -0.30 8.00 3.84 -1.26 -5.02 114.94 129.96 2noc s ASN 18 Ca 0.49 -0.51 -0.27 0.00 0.21 0.00 0.00 52.86 52.78 2noc s ASN 18 Cb 0.10 -2.38 0.01 0.00 -0.55 0.00 0.00 41.25 38.43 2noc s ASN 18 CO -0.02 -1.06 0.98 0.68 -2.79 0.00 0.00 177.10 174.88 2noc s VAL 19 N 3.40 4.63 0.14 -5.21 -7.23 -1.26 -4.91 120.40 109.95 2noc s VAL 19 Ca 0.25 1.64 0.16 0.00 -1.81 0.00 0.00 61.98 62.22 2noc s VAL 19 Cb -0.15 -4.31 0.07 0.00 0.56 0.00 0.00 36.38 32.55 2noc s VAL 19 CO 0.17 -0.34 1.64 0.10 -0.31 0.00 0.00 175.10 176.36 2noc h TYR 20 N 7.95 0.00 -2.14 2.82 -0.00 -1.95 -3.48 116.97 120.18 2noc h TYR 20 Ca -0.21 0.00 0.21 0.00 -0.00 0.00 0.00 58.73 58.73 2noc h TYR 20 Cb 1.07 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 37.71 2noc h TYR 20 CO 0.80 0.48 0.57 0.00 -0.00 0.00 0.00 178.16 180.01 2noc s ALA 21 N -3.46 -1.79 -0.25 0.10 0.00 -1.26 -5.11 121.76 109.98 2noc s ALA 21 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2noc s ALA 21 Cb 0.11 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.74 2noc s ALA 21 CO 0.72 -1.05 2.20 0.00 0.00 0.00 0.00 175.76 177.63 2noc n ALA 22 N -0.49 1.53 -2.46 0.00 0.00 -1.05 -4.66 120.51 113.38 2noc n ALA 22 Ca -0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 2noc n ALA 22 Cb 0.61 -2.78 -0.11 0.00 0.00 0.00 0.00 19.45 17.17 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 6.23 0.63 0.03 0.00 2.12 -1.03 -4.91 118.70 121.78 2noc s GLU 23 Ca 1.03 -1.05 -0.25 0.00 0.36 0.00 0.00 54.97 55.06 2noc s GLU 23 Cb -0.52 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 33.71 2noc s GLU 23 CO 0.40 -0.02 0.78 0.42 -0.54 0.00 0.00 175.26 176.30 2noc s ILE 24 N -2.75 4.77 0.27 -3.70 -1.09 -1.26 -1.96 121.20 115.48 2noc s ILE 24 Ca 0.01 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 2noc s ILE 24 Cb -0.01 -4.13 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 2noc s ILE 24 CO -0.04 0.33 0.00 0.23 -1.23 0.00 0.00 174.94 174.24 2noc n MET 25 N 2.99 1.30 -0.05 2.79 2.81 -1.25 -5.00 117.12 120.72 2noc n MET 25 Ca -0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.86 2noc n MET 25 Cb 0.50 0.57 0.00 0.00 -0.71 0.00 0.00 33.22 33.58 2noc n MET 25 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2noc n LYS 26 N -0.68 0.84 -0.11 0.03 5.02 -1.26 -4.96 118.16 117.04 2noc n LYS 26 Ca -0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 2noc n LYS 26 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.27 2noc n LYS 26 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2noc n LYS 27 N -0.38 0.51 -0.03 1.97 4.81 -1.26 -3.92 118.16 119.85 2noc n LYS 27 Ca 0.00 0.16 -0.13 0.00 -0.87 0.00 0.00 58.31 57.47 2noc n LYS 27 Cb 0.00 -1.38 -0.09 0.00 0.02 0.00 0.00 35.03 33.58 2noc n LYS 27 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2noc h THR 28 N -0.33 1.40 -0.10 3.15 2.02 -1.99 -0.55 112.91 116.51 2noc h THR 28 Ca -0.52 -1.36 -0.11 0.00 0.77 0.00 0.00 66.41 65.19 2noc h THR 28 Cb 1.64 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 70.19 2noc h THR 28 CO -0.19 0.38 -0.45 -2.24 0.37 0.00 0.00 175.52 173.39 2noc h ASP 29 N -0.28 0.24 -0.94 4.18 3.04 -1.99 -2.54 116.42 118.12 2noc h ASP 29 Ca 0.01 -0.11 0.01 0.00 -3.24 0.00 0.00 57.03 53.70 2noc h ASP 29 Cb 0.66 -0.07 -0.05 0.00 -1.04 0.00 0.00 39.33 38.84 2noc h ASP 29 CO 0.02 0.66 0.62 0.15 -2.04 0.00 0.00 179.24 178.66 2noc h PHE 30 N 0.19 1.18 -0.25 4.15 3.57 -1.65 0.49 116.94 124.63 2noc h PHE 30 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2noc h PHE 30 Cb 0.87 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2noc h PHE 30 CO 0.01 0.74 -0.15 0.22 -2.23 0.00 0.00 178.31 176.91 2noc h ASP 31 N 1.28 0.40 0.77 0.41 3.58 -0.77 0.18 116.42 122.27 2noc h ASP 31 Ca 0.35 -0.10 -0.25 0.00 0.42 0.00 0.00 57.03 57.44 2noc h ASP 31 Cb -0.14 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 2noc h ASP 31 CO -0.08 0.58 -1.27 0.11 -2.88 0.00 0.00 179.24 175.70 2noc h LYS 32 N 0.39 0.06 0.00 0.28 6.56 -0.92 -3.25 116.57 119.68 2noc h LYS 32 Ca 0.07 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2noc h LYS 32 Cb 0.50 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 2noc h LYS 32 CO 0.03 0.91 -0.44 1.33 -2.06 0.00 0.00 179.45 179.21 2noc n VAL 33 N -3.30 0.18 0.31 0.50 0.24 0.16 -3.39 118.33 113.03 2noc n VAL 33 Ca -0.07 -0.13 0.17 0.00 -2.04 0.00 0.00 64.34 62.27 2noc n VAL 33 Cb 0.99 -0.07 1.01 0.00 -1.47 0.00 0.00 33.84 34.30 2noc n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2noc h ALA 34 N 2.77 1.37 -0.71 2.33 0.00 -0.66 0.28 119.26 124.64 2noc h ALA 34 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2noc h ALA 34 Cb 0.61 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2noc h ALA 34 CO 0.00 0.00 0.36 1.03 0.00 0.00 0.00 179.25 180.65 2noc h SER 35 N 0.00 0.91 -0.09 0.00 0.87 -1.71 -1.77 113.55 111.75 2noc h SER 35 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2noc h SER 35 Cb 0.01 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2noc h SER 35 CO 0.00 0.76 0.00 -0.62 -0.53 0.00 0.00 176.83 176.44 2noc n GLU 36 N -4.46 1.32 -4.59 2.24 1.02 0.05 -4.90 120.64 111.32 2noc n GLU 36 Ca 0.06 -0.48 -0.28 0.00 -0.02 0.00 0.00 57.16 56.44 2noc n GLU 36 Cb 0.11 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.89 1.79 0.12 -0.32 2.02 -0.67 -1.57 117.35 116.85 2noc s TYR 37 Ca 0.25 -1.23 -0.09 0.00 -0.37 0.00 0.00 57.07 55.64 2noc s TYR 37 Cb 0.13 -1.27 -0.00 0.00 -0.40 0.00 0.00 41.96 40.41 2noc s TYR 37 CO 0.20 -0.19 0.23 0.99 -1.57 0.00 0.00 175.55 175.22 2noc s THR 38 N -3.11 0.11 -0.21 -0.71 2.01 0.23 -4.72 115.64 109.24 2noc s THR 38 Ca 0.18 -1.28 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 2noc s THR 38 Cb 0.02 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.97 2noc s THR 38 CO 0.11 -0.48 -0.13 -0.75 -0.69 0.00 0.00 174.62 172.69 2noc s LYS 39 N -3.91 2.98 0.17 4.92 2.20 -1.26 0.09 119.74 124.93 2noc s LYS 39 Ca 0.11 -0.86 0.15 0.00 -0.36 0.00 0.00 55.97 55.01 2noc s LYS 39 Cb 0.04 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2noc s LYS 39 CO -0.06 -0.28 1.16 -0.84 -0.36 0.00 0.00 175.35 174.97 2noc h ILE 40 N 6.00 0.74 0.00 5.43 3.07 -1.93 -3.49 117.51 127.33 2noc h ILE 40 Ca -0.40 -2.17 0.00 0.00 1.55 0.00 0.00 64.86 63.84 2noc h ILE 40 Cb 1.13 2.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.94 2noc h ILE 40 CO 0.60 0.42 0.00 0.61 -1.05 0.00 0.00 178.15 178.73 2noc n GLY 41 N 1.31 0.71 3.77 0.16 0.00 -1.26 -5.13 105.19 104.73 2noc n GLY 41 Ca -0.03 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.82 4.46 0.29 2.61 2.01 -1.26 -4.02 115.64 117.91 2noc s THR 42 Ca 0.00 -0.86 0.07 0.00 0.31 0.00 0.00 61.69 61.21 2noc s THR 42 Cb 0.00 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 2noc s THR 42 CO 0.00 0.08 -0.07 0.27 -0.69 0.00 0.00 174.62 174.21 2noc s ILE 43 N -1.45 1.76 0.30 1.82 -4.36 -0.95 -4.99 121.20 113.33 2noc s ILE 43 Ca 0.29 -2.15 -0.02 0.00 -0.26 0.00 0.00 60.65 58.52 2noc s ILE 43 Cb -0.12 -2.46 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 2noc s ILE 43 CO 0.22 -0.30 0.38 -0.94 0.24 0.00 0.00 174.94 174.54 2noc s SER 44 N -3.47 0.80 -0.03 4.36 1.04 -1.26 -0.12 113.70 115.03 2noc s SER 44 Ca 0.30 -1.45 0.06 0.00 0.48 0.00 0.00 55.95 55.34 2noc s SER 44 Cb 0.03 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 2noc s SER 44 CO 0.12 -1.15 -0.21 0.42 0.98 0.00 0.00 173.24 173.40 2noc s THR 45 N -3.45 1.66 -0.21 2.02 -4.23 0.44 -4.91 115.64 106.96 2noc s THR 45 Ca 0.33 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 2noc s THR 45 Cb 0.01 -1.39 0.09 0.00 1.34 0.00 0.00 72.50 72.55 2noc s THR 45 CO 0.19 0.47 0.19 -0.89 -0.54 0.00 0.00 174.62 174.04 2noc s THR 46 N -0.36 -0.25 0.00 3.99 2.01 -1.26 -3.54 115.64 116.23 2noc s THR 46 Ca 0.05 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2noc s THR 46 Cb -0.09 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2noc s THR 46 CO 0.00 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 2noc n GLY 47 N 5.30 -0.56 2.89 4.40 0.00 -1.17 -5.05 105.19 111.01 2noc n GLY 47 Ca -0.06 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.51 0.21 1.61 -1.05 -1.26 -4.19 118.70 114.54 2noc s GLU 48 Ca 0.00 -0.29 0.01 0.00 -0.15 0.00 0.00 54.97 54.54 2noc s GLU 48 Cb 0.00 0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.67 2noc s GLU 48 CO 0.00 -0.71 0.07 -1.64 0.95 0.00 0.00 175.26 173.94 2noc s MET 49 N 1.61 1.24 0.54 -4.83 -1.94 -1.26 -5.01 119.30 109.65 2noc s MET 49 Ca 0.19 -1.64 -0.20 0.00 -1.71 0.00 0.00 55.69 52.32 2noc s MET 49 Cb 0.02 -0.10 -0.05 0.00 2.01 0.00 0.00 34.83 36.70 2noc s MET 49 CO -0.10 -0.27 1.19 -1.12 -0.01 0.00 0.00 175.02 174.71 2noc s SER 50 N -3.22 5.61 0.21 3.03 0.01 -1.26 -4.64 113.70 113.44 2noc s SER 50 Ca 0.33 2.36 -0.09 0.00 1.31 0.00 0.00 55.95 59.85 2noc s SER 50 Cb 0.07 -2.60 0.27 0.00 0.21 0.00 0.00 66.02 63.97 2noc s SER 50 CO 0.10 -1.31 1.76 1.55 0.41 0.00 0.00 173.24 175.75 2noc h PRO 51 N 1.36 0.47 -0.12 12.44 0.13 -1.98 0.40 132.00 144.69 2noc h PRO 51 Ca -0.50 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.45 2noc h PRO 51 Cb 1.28 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2noc h PRO 51 CO 0.57 0.31 -0.57 -0.07 -0.23 0.00 0.00 178.00 178.01 2noc h LEU 52 N 0.48 0.44 -0.74 1.56 4.07 -1.97 -1.45 115.31 117.70 2noc h LEU 52 Ca 0.30 -0.24 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 2noc h LEU 52 Cb 0.33 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2noc h LEU 52 CO -0.27 0.92 -0.04 -0.78 -1.08 0.00 0.00 178.44 177.20 2noc h ASP 53 N 0.30 0.91 -0.76 -0.43 3.58 -1.69 -1.13 116.42 117.20 2noc h ASP 53 Ca 0.00 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2noc h ASP 53 Cb 1.09 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 2noc h ASP 53 CO 0.10 0.99 0.46 0.00 -2.88 0.00 0.00 179.24 177.90 2noc h ALA 54 N 1.10 0.96 0.56 -0.78 0.00 -0.62 0.17 119.26 120.65 2noc h ALA 54 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2noc h ALA 54 Cb 0.55 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2noc h ALA 54 CO 0.03 0.43 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 2noc h ARG 55 N 1.03 -0.88 0.00 0.00 3.08 -0.76 -1.39 114.38 115.46 2noc h ARG 55 Ca 0.27 0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.32 2noc h ARG 55 Cb -0.04 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2noc h ARG 55 CO -0.05 -0.58 -0.30 0.93 -1.07 0.00 0.00 179.97 178.89 2noc h GLU 56 N -0.91 0.00 -0.25 0.04 5.08 -1.06 0.44 114.58 117.92 2noc h GLU 56 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2noc h GLU 56 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2noc h GLU 56 CO 0.04 0.30 0.11 0.22 -1.00 0.00 0.00 179.01 178.68 2noc h ASP 57 N 0.00 0.33 -0.17 1.42 3.58 -0.52 0.54 116.42 121.60 2noc h ASP 57 Ca -0.00 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2noc h ASP 57 Cb 0.71 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2noc h ASP 57 CO 0.04 0.39 0.08 -0.07 -2.88 0.00 0.00 179.24 176.80 2noc h LEU 58 N 0.26 0.22 -0.40 2.28 3.38 -0.07 -0.92 115.31 120.07 2noc h LEU 58 Ca 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2noc h LEU 58 Cb 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2noc h LEU 58 CO -0.01 0.28 0.26 0.40 0.09 0.00 0.00 178.44 179.46 2noc h ILE 59 N 0.15 1.09 -0.02 1.22 2.04 -0.07 0.78 117.51 122.70 2noc h ILE 59 Ca 0.06 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 2noc h ILE 59 Cb 0.12 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2noc h ILE 59 CO -0.01 0.10 -0.66 0.07 0.00 0.00 0.00 178.15 177.65 2noc h LYS 60 N 0.52 0.07 -0.27 2.37 2.10 -0.87 -1.84 116.57 118.66 2noc h LYS 60 Ca 0.15 -0.06 -0.11 0.00 -2.00 0.00 0.00 60.65 58.63 2noc h LYS 60 Cb -0.05 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2noc h LYS 60 CO -0.04 0.71 -0.27 -0.22 -2.00 0.00 0.00 179.45 177.63 2noc h LYS 61 N 0.05 0.66 -0.88 0.07 3.64 -0.71 0.40 116.57 119.79 2noc h LYS 61 Ca -0.01 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 59.05 2noc h LYS 61 Cb 1.17 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2noc h LYS 61 CO 0.09 0.95 0.57 0.00 -2.27 0.00 0.00 179.45 178.80 2noc h ALA 62 N 0.69 1.16 -0.34 5.00 0.00 -0.80 0.16 119.26 125.13 2noc h ALA 62 Ca 0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2noc h ALA 62 Cb 0.83 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2noc h ALA 62 CO 0.07 0.44 -0.11 0.22 0.00 0.00 0.00 179.25 179.86 2noc h ASP 63 N 1.12 0.56 -0.42 0.00 3.58 -0.98 0.31 116.42 120.59 2noc h ASP 63 Ca 0.35 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 2noc h ASP 63 Cb -0.02 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2noc h ASP 63 CO -0.11 0.71 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.47 2noc h GLU 64 N 0.53 0.84 -0.07 0.28 5.08 0.65 -3.06 114.58 118.83 2noc h GLU 64 Ca 0.10 -0.34 -0.18 0.00 -1.00 0.00 0.00 59.36 57.93 2noc h GLU 64 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2noc h GLU 64 CO 0.03 0.98 -0.74 -0.22 -1.00 0.00 0.00 179.01 178.06 2noc h LYS 65 N 0.66 0.38 0.00 2.33 3.64 -0.49 -3.48 116.57 119.60 2noc h LYS 65 Ca 0.10 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2noc h LYS 65 Cb 0.70 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2noc h LYS 65 CO 0.05 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 178.60 2noc n GLY 66 N 0.58 0.58 3.63 5.01 0.00 0.84 -5.09 105.19 110.74 2noc n GLY 66 Ca -0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.78 3.12 -0.16 4.61 0.00 0.20 -4.84 121.76 123.91 2noc s ALA 67 Ca 0.00 -1.27 0.12 0.00 0.00 0.00 0.00 51.96 50.81 2noc s ALA 67 Cb 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 23.12 21.95 2noc s ALA 67 CO 0.00 0.60 0.01 -0.25 0.00 0.00 0.00 175.76 176.12 2noc n ASP 68 N 0.36 1.40 -4.20 0.00 8.00 0.34 -4.03 116.55 118.42 2noc n ASP 68 Ca -0.11 -0.02 -0.27 0.00 0.71 0.00 0.00 54.79 55.10 2noc n ASP 68 Cb 0.53 0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.38 1.56 0.01 2.53 1.01 0.42 -2.45 120.40 121.11 2noc s VAL 69 Ca -0.11 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2noc s VAL 69 Cb 0.05 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2noc s VAL 69 CO 0.60 0.44 -0.14 0.68 0.00 0.00 0.00 175.10 176.68 2noc s VAL 70 N -0.44 1.13 -0.17 2.92 -7.23 -0.83 -0.37 120.40 115.42 2noc s VAL 70 Ca 0.07 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 2noc s VAL 70 Cb -0.08 -0.98 0.05 0.00 0.56 0.00 0.00 36.38 35.93 2noc s VAL 70 CO -0.01 0.19 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.25 2noc s VAL 71 N -0.55 0.98 -1.13 1.32 1.01 0.09 -3.75 120.40 118.36 2noc s VAL 71 Ca 0.04 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2noc s VAL 71 Cb -0.06 -1.22 0.10 0.00 0.00 0.00 0.00 36.38 35.20 2noc s VAL 71 CO 0.00 0.06 1.47 -0.76 0.00 0.00 0.00 175.10 175.88 2noc s LEU 72 N 1.68 4.26 0.00 3.92 1.43 -1.26 -0.75 118.68 127.96 2noc s LEU 72 Ca 0.00 -2.22 0.27 0.00 -1.03 0.00 0.00 54.13 51.15 2noc s LEU 72 Cb -0.16 -2.50 1.02 0.00 0.03 0.00 0.00 46.19 44.58 2noc s LEU 72 CO -0.07 -1.15 1.72 0.35 0.23 0.00 0.00 176.35 177.43 2noc n THR 73 N 5.96 0.04 -1.61 5.49 -2.24 -1.23 -4.96 114.28 115.72 2noc n THR 73 Ca 0.37 -0.26 -0.49 0.00 -2.27 0.00 0.00 64.05 61.40 2noc n THR 73 Cb 0.47 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 2noc n THR 73 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2noc n SER 74 N 0.17 1.85 -4.55 3.42 7.64 -0.27 -4.78 113.62 117.09 2noc n SER 74 Ca 0.19 1.13 -0.35 0.00 1.01 0.00 0.00 58.87 60.84 2noc n SER 74 Cb 0.34 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 2noc n SER 74 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2noc s GLY 75 N 0.27 0.04 -1.04 0.23 0.00 -1.26 -4.86 107.32 100.69 2noc s GLY 75 Ca 0.76 -0.66 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 2noc s GLY 75 CO 0.49 3.59 1.93 -0.18 0.00 0.00 0.00 173.10 178.93 2noc n GLN 76 N 9.10 1.78 0.09 2.90 7.27 -1.26 -4.55 117.38 132.70 2noc n GLN 76 Ca 0.27 -2.30 0.13 0.00 0.07 0.00 0.00 57.00 55.17 2noc n GLN 76 Cb 0.52 -3.35 0.44 0.00 2.41 0.00 0.00 30.24 30.26 2noc n GLN 76 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2noc n THR 77 N 6.78 0.49 0.00 1.69 -1.04 -1.26 -4.96 114.28 115.99 2noc n THR 77 Ca 0.48 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2noc n THR 77 Cb 0.44 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.13 0.00 0.46 -2.82 2.13 -1.26 -4.31 120.64 112.72 2noc n GLU 78 Ca 0.06 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.69 2noc n GLU 78 Cb 0.41 0.00 -0.09 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 -1.00 -2.30 4.31 -0.73 -1.93 -3.32 115.58 110.61 2noc h ASN 79 Ca 0.00 0.03 -0.68 0.00 1.87 0.00 0.00 56.30 57.53 2noc h ASN 79 Cb 0.00 0.26 -0.36 0.00 0.27 0.00 0.00 38.32 38.49 2noc h ASN 79 CO 0.00 -0.66 0.00 2.29 -0.37 0.00 0.00 177.43 178.69 2noc n LYS 80 N -5.57 4.02 -1.68 6.67 2.85 -1.26 -3.99 118.16 119.20 2noc n LYS 80 Ca -0.15 -4.78 -0.55 0.00 -1.05 0.00 0.00 58.31 51.79 2noc n LYS 80 Cb 0.47 -2.33 -0.06 0.00 -0.65 0.00 0.00 35.03 32.45 2noc n LYS 80 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2noc n ILE 81 N -0.05 0.26 -2.69 0.58 -5.35 -1.25 -4.87 119.36 105.99 2noc n ILE 81 Ca 0.36 -0.05 -0.07 0.00 -0.27 0.00 0.00 62.75 62.73 2noc n ILE 81 Cb 0.34 -1.23 0.07 0.00 -1.74 0.00 0.00 39.64 37.09 2noc n ILE 81 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2noc n HIS 82 N 4.81 -0.41 -3.62 4.28 -0.00 -1.24 -3.02 115.22 116.03 2noc n HIS 82 Ca 0.24 -2.34 -0.20 0.00 0.46 0.00 0.00 57.72 55.88 2noc n HIS 82 Cb 0.17 0.51 -0.02 0.00 -0.12 0.00 0.00 29.99 30.52 2noc n HIS 82 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2noc s GLY 83 N -2.33 1.79 0.16 1.57 0.00 -1.23 -4.80 107.32 102.48 2noc s GLY 83 Ca 0.24 -1.63 0.08 0.00 0.00 0.00 0.00 44.72 43.41 2noc s GLY 83 CO -0.03 -1.53 -0.07 -0.51 0.00 0.00 0.00 173.10 170.97 2noc s THR 84 N -2.29 3.39 -0.06 0.90 -4.23 -1.26 -0.42 115.64 111.66 2noc s THR 84 Ca 0.44 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.51 2noc s THR 84 Cb -0.07 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 2noc s THR 84 CO 0.28 -0.06 -0.23 0.00 -0.54 0.00 0.00 174.62 174.07 2noc s ALA 85 N -1.60 2.05 -0.33 3.99 0.00 0.83 -1.11 121.76 125.58 2noc s ALA 85 Ca 0.25 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 2noc s ALA 85 Cb -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2noc s ALA 85 CO 0.16 0.37 0.22 0.34 0.00 0.00 0.00 175.76 176.84 2noc s ASP 86 N -0.04 5.91 0.16 0.00 2.15 0.07 -2.24 116.67 122.68 2noc s ASP 86 Ca -0.06 -0.48 0.10 0.00 0.43 0.00 0.00 52.55 52.53 2noc s ASP 86 Cb -0.14 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.34 2noc s ASP 86 CO 0.04 -0.23 -0.16 0.27 -0.17 0.00 0.00 175.17 174.91 2noc s ILE 87 N 1.68 2.84 0.06 4.11 -4.36 -1.26 -0.73 121.20 123.55 2noc s ILE 87 Ca 0.05 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 2noc s ILE 87 Cb -0.17 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 2noc s ILE 87 CO 0.09 -0.03 -0.08 -0.31 0.24 0.00 0.00 174.94 174.85 2noc s TYR 88 N -1.48 0.77 -0.04 1.37 1.51 0.50 -4.25 117.35 115.74 2noc s TYR 88 Ca 0.21 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 2noc s TYR 88 Cb -0.09 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 2noc s TYR 88 CO 0.12 -0.08 -0.25 0.21 -1.11 0.00 0.00 175.55 174.44 2noc s LYS 89 N -2.09 2.34 0.90 -0.62 2.47 0.11 -0.43 119.74 122.42 2noc s LYS 89 Ca -0.04 -0.91 -0.12 0.00 -1.56 0.00 0.00 55.97 53.34 2noc s LYS 89 Cb -0.07 -2.12 0.13 0.00 -1.46 0.00 0.00 37.83 34.32 2noc s LYS 89 CO -0.00 0.48 1.09 -1.59 0.16 0.00 0.00 175.35 175.49 2noc s LYS 90 N -0.40 1.24 0.88 4.03 -2.85 -1.26 0.75 119.74 122.11 2noc s LYS 90 Ca 0.04 0.83 -0.10 0.00 -1.00 0.00 0.00 55.97 55.74 2noc s LYS 90 Cb -0.12 -1.81 0.18 0.00 -2.06 0.00 0.00 37.83 34.03 2noc s LYS 90 CO 0.01 -2.26 1.20 0.15 0.10 0.00 0.00 175.35 174.56 2noc s LYS 91 N -4.93 0.96 0.00 1.78 1.02 -0.61 -4.60 119.74 113.36 2noc s LYS 91 Ca 0.63 -0.77 0.25 0.00 0.02 0.00 0.00 55.97 56.11 2noc s LYS 91 Cb -0.18 -2.04 0.95 0.00 -0.52 0.00 0.00 37.83 36.04 2noc s LYS 91 CO 0.57 -2.09 1.68 1.28 -0.92 0.00 0.00 175.35 175.87 2noc n LEU 92 N -3.42 1.54 -0.78 3.17 4.77 -1.26 -5.04 117.00 115.99 2noc n LEU 92 Ca 0.16 -0.56 0.10 0.00 -0.03 0.00 0.00 56.01 55.67 2noc n LEU 92 Cb 0.60 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2noc n LEU 92 CO 0.43 0.28 -0.33 1.21 -1.33 0.00 0.00 177.39 177.66 2noc n GLU 93 N 0.21 -1.78 -3.39 3.23 2.13 -1.26 -4.95 120.64 114.83 2noc n GLU 93 Ca 0.18 1.43 -0.30 0.00 0.66 0.00 0.00 57.16 59.13 2noc n GLU 93 Cb 0.34 -2.08 0.03 0.00 0.27 0.00 0.00 31.44 30.00 2noc n GLU 93 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2noc n HIS 94 N -3.31 -2.80 -3.88 4.31 8.25 -1.26 -5.01 115.22 111.53 2noc n HIS 94 Ca -0.05 1.16 -0.11 0.00 -0.26 0.00 0.00 57.72 58.46 2noc n HIS 94 Cb 0.37 -2.43 -0.11 0.00 1.12 0.00 0.00 29.99 28.94 2noc n HIS 94 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2noc s HIS 95 N -1.91 0.02 0.06 4.41 3.76 -1.26 -5.17 115.29 115.20 2noc s HIS 95 Ca 0.31 -0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2noc s HIS 95 Cb -0.04 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.58 2noc s HIS 95 CO 0.85 -0.18 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.50 2noc s HIS 96 N -0.84 0.63 0.03 1.40 3.76 -1.26 -4.87 115.29 114.14 2noc s HIS 96 Ca -0.09 -0.78 -0.20 0.00 -0.15 0.00 0.00 55.06 53.84 2noc s HIS 96 Cb -0.05 -0.40 -0.16 0.00 1.11 0.00 0.00 32.58 33.08 2noc s HIS 96 CO 0.01 -0.20 1.28 0.45 -0.85 0.00 0.00 174.74 175.43 2noc h HIS 97 N 3.70 0.49 -4.70 1.40 3.86 -1.76 -3.49 115.15 114.65 2noc h HIS 97 Ca -0.35 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 2noc h HIS 97 Cb 1.18 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2noc h HIS 97 CO 0.60 0.87 -0.76 1.58 0.86 0.00 0.00 177.93 181.08 2noc n HIS 98 N -4.46 -3.16 -1.36 2.45 -0.00 -1.19 -5.09 115.22 102.42 2noc n HIS 98 Ca -0.07 1.39 0.00 0.00 -0.00 0.00 0.00 57.72 59.04 2noc n HIS 98 Cb 0.44 -3.51 0.00 0.00 -0.00 0.00 0.00 29.99 26.92 2noc n HIS 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92