#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 1.17 0.07 2.12 1.02 -1.26 -5.12 119.74 117.74 2noc s LYS 2 Ca 0.00 -0.11 -0.23 0.00 0.02 0.00 0.00 55.97 55.65 2noc s LYS 2 Cb 0.00 -1.34 0.06 0.00 -0.52 0.00 0.00 37.83 36.02 2noc s LYS 2 CO 0.00 -0.28 0.54 -0.08 -0.92 0.00 0.00 175.35 174.62 2noc s THR 3 N 1.80 0.02 0.00 2.17 -1.32 -1.26 -5.05 115.64 112.00 2noc s THR 3 Ca 0.05 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 2noc s THR 3 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2noc s THR 3 CO -0.07 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2noc n GLY 4 N 0.20 0.36 3.43 6.08 0.00 -1.26 -5.10 105.19 108.91 2noc n GLY 4 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.19 2.77 0.00 1.61 2.02 -1.26 -4.77 117.35 117.54 2noc s TYR 5 Ca 0.00 -0.68 0.13 0.00 -0.37 0.00 0.00 57.07 56.15 2noc s TYR 5 Cb 0.00 -4.22 0.21 0.00 -0.40 0.00 0.00 41.96 37.56 2noc s TYR 5 CO 0.00 -1.55 1.05 0.36 -1.57 0.00 0.00 175.55 173.84 2noc n LYS 6 N 7.31 0.00 -2.63 -0.62 2.85 -1.26 -5.07 118.16 118.74 2noc n LYS 6 Ca -0.05 -1.42 -0.43 0.00 -1.05 0.00 0.00 58.31 55.36 2noc n LYS 6 Cb 0.45 -0.09 -0.02 0.00 -0.65 0.00 0.00 35.03 34.72 2noc n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2noc s VAL 7 N 0.00 4.49 -0.20 0.58 0.11 -1.26 -4.99 120.40 119.13 2noc s VAL 7 Ca 0.17 1.71 -0.04 0.00 -2.93 0.00 0.00 61.98 60.88 2noc s VAL 7 Cb 0.19 -4.41 0.10 0.00 -1.53 0.00 0.00 36.38 30.73 2noc s VAL 7 CO -0.08 -0.49 0.33 0.00 -3.33 0.00 0.00 175.10 171.53 2noc s MET 8 N 3.69 0.26 0.19 1.54 0.23 -1.26 -5.15 119.30 118.81 2noc s MET 8 Ca 0.46 0.65 -0.19 0.00 -1.03 0.00 0.00 55.69 55.57 2noc s MET 8 Cb -0.12 -0.30 0.07 0.00 -1.53 0.00 0.00 34.83 32.94 2noc s MET 8 CO 0.16 -0.46 0.94 1.47 -2.03 0.00 0.00 175.02 175.10 2noc n LEU 9 N 5.36 0.00 -0.63 0.18 -0.00 -1.26 -5.14 117.00 115.50 2noc n LEU 9 Ca -0.06 -1.49 0.00 0.00 -0.00 0.00 0.00 56.01 54.46 2noc n LEU 9 Cb 0.50 2.75 0.00 0.00 -0.00 0.00 0.00 43.42 46.66 2noc n LEU 9 CO 0.04 -0.50 0.00 0.61 -0.00 0.00 0.00 177.39 177.54 2noc n GLY 10 N -0.66 -2.20 0.49 1.47 0.00 -1.26 -5.07 105.19 97.96 2noc n GLY 10 Ca -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 2noc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc n ALA 11 N 0.67 1.88 -3.69 4.61 0.00 -1.26 -5.10 120.51 117.62 2noc n ALA 11 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 2noc n ALA 11 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 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 0.00 3.76 -0.21 0.00 0.20 -1.26 -5.06 118.68 116.11 2noc s LEU 12 Ca 0.00 -1.23 -0.04 0.00 0.69 0.00 0.00 54.13 53.55 2noc s LEU 12 Cb 0.00 -1.69 0.11 0.00 -0.43 0.00 0.00 46.19 44.18 2noc s LEU 12 CO 0.00 -0.24 0.35 0.00 -0.29 0.00 0.00 176.35 176.17 2noc s ALA 13 N 1.25 -0.91 -0.09 5.97 0.00 -1.26 -5.13 121.76 121.59 2noc s ALA 13 Ca -0.05 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 2noc s ALA 13 Cb -0.19 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.52 2noc s ALA 13 CO -0.02 -1.04 0.06 -0.06 0.00 0.00 0.00 175.76 174.70 2noc s PHE 14 N 2.51 0.21 0.07 0.00 0.08 -1.26 -5.15 117.98 114.45 2noc s PHE 14 Ca 0.07 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.14 2noc s PHE 14 Cb -0.14 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2noc s PHE 14 CO -0.13 -0.31 -0.08 0.14 -0.10 0.00 0.00 175.22 174.74 2noc s VAL 15 N 2.12 0.64 -0.41 -0.44 -7.23 -1.26 -5.11 120.40 108.71 2noc s VAL 15 Ca 0.04 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2noc s VAL 15 Cb -0.13 -1.08 0.14 0.00 0.56 0.00 0.00 36.38 35.86 2noc s VAL 15 CO -0.05 -0.58 0.24 -0.69 -0.31 0.00 0.00 175.10 173.71 2noc s VAL 16 N -2.31 0.94 -0.35 1.32 1.01 -1.26 -5.03 120.40 114.72 2noc s VAL 16 Ca -0.00 -2.29 0.04 0.00 0.00 0.00 0.00 61.98 59.73 2noc s VAL 16 Cb -0.04 -1.66 0.17 0.00 0.00 0.00 0.00 36.38 34.85 2noc s VAL 16 CO -0.02 -0.95 0.47 -0.89 0.00 0.00 0.00 175.10 173.71 2noc s THR 17 N 0.56 -0.64 -0.20 3.92 2.01 -1.26 -5.04 115.64 114.99 2noc s THR 17 Ca 0.19 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2noc s THR 17 Cb -0.22 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2noc s THR 17 CO -0.01 -0.30 0.05 0.54 -0.69 0.00 0.00 174.62 174.21 2noc s ASN 18 N 2.00 5.34 -0.15 3.53 4.22 -1.26 -5.04 114.94 123.58 2noc s ASN 18 Ca 0.14 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.82 2noc s ASN 18 Cb -0.11 -1.92 0.03 0.00 1.28 0.00 0.00 41.25 40.52 2noc s ASN 18 CO -0.15 0.11 -0.12 -0.69 -2.04 0.00 0.00 177.10 174.21 2noc s VAL 19 N 0.77 1.45 -0.42 3.54 1.01 -1.26 -5.01 120.40 120.48 2noc s VAL 19 Ca 0.03 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2noc s VAL 19 Cb -0.14 -1.41 0.46 0.00 0.00 0.00 0.00 36.38 35.30 2noc s VAL 19 CO 0.02 0.40 1.49 0.00 0.00 0.00 0.00 175.10 177.01 2noc n TYR 20 N 4.80 2.86 -3.70 5.22 9.36 -1.26 -4.65 117.16 129.79 2noc n TYR 20 Ca -0.16 -2.48 -0.27 0.00 3.32 0.00 0.00 57.90 58.31 2noc n TYR 20 Cb 0.50 -0.73 -0.16 0.00 -0.63 0.00 0.00 39.34 38.31 2noc n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2noc s ALA 21 N -3.67 0.87 -0.08 2.98 0.00 -1.26 -4.94 121.76 115.67 2noc s ALA 21 Ca 0.56 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 2noc s ALA 21 Cb 0.44 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 2noc s ALA 21 CO 0.02 -1.21 1.62 0.00 0.00 0.00 0.00 175.76 176.20 2noc s ALA 22 N 1.92 3.58 0.21 0.00 0.00 -1.11 -4.59 121.76 121.77 2noc s ALA 22 Ca 0.00 0.86 0.10 0.00 0.00 0.00 0.00 51.96 52.92 2noc s ALA 22 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 2noc s ALA 22 CO -0.10 -1.44 -0.16 -2.00 0.00 0.00 0.00 175.76 172.06 2noc s GLU 23 N 4.07 1.81 -0.18 0.00 2.12 0.70 -4.88 118.70 122.34 2noc s GLU 23 Ca 0.72 -1.46 -0.15 0.00 0.36 0.00 0.00 54.97 54.44 2noc s GLU 23 Cb -0.32 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 2noc s GLU 23 CO 0.28 0.40 0.34 0.42 -0.54 0.00 0.00 175.26 176.16 2noc s ILE 24 N -1.88 5.25 0.09 -3.70 -1.09 -1.26 -1.31 121.20 117.31 2noc s ILE 24 Ca 0.25 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.34 2noc s ILE 24 Cb -0.08 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2noc s ILE 24 CO 0.13 0.32 -0.04 -0.04 -1.23 0.00 0.00 174.94 174.08 2noc s MET 25 N 0.92 2.38 0.74 2.79 -1.94 -1.26 -5.02 119.30 117.91 2noc s MET 25 Ca 0.18 -0.91 -0.14 0.00 -1.71 0.00 0.00 55.69 53.10 2noc s MET 25 Cb -0.14 -2.44 0.05 0.00 2.01 0.00 0.00 34.83 34.30 2noc s MET 25 CO 0.06 0.53 1.18 0.15 -0.01 0.00 0.00 175.02 176.93 2noc s LYS 26 N -2.23 2.13 0.11 2.03 1.02 -1.26 -4.70 119.74 116.84 2noc s LYS 26 Ca 0.24 1.64 -0.21 0.00 0.02 0.00 0.00 55.97 57.65 2noc s LYS 26 Cb -0.11 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.27 2noc s LYS 26 CO 0.16 -1.81 1.72 -0.22 -0.92 0.00 0.00 175.35 174.28 2noc h LYS 27 N -0.46 -0.01 -0.37 1.68 1.63 -1.99 0.74 116.57 117.80 2noc h LYS 27 Ca -0.47 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.21 2noc h LYS 27 Cb 1.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2noc h LYS 27 CO 0.50 -0.01 -0.26 1.15 -3.45 0.00 0.00 179.45 177.38 2noc h THR 28 N -0.01 1.28 -0.52 1.00 2.02 -2.00 -2.37 112.91 112.32 2noc h THR 28 Ca 0.05 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 2noc h THR 28 Cb 0.09 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2noc h THR 28 CO -0.11 0.47 0.02 -0.78 0.37 0.00 0.00 175.52 175.48 2noc h ASP 29 N 0.62 0.89 -0.33 4.18 3.58 -1.86 -2.30 116.42 121.19 2noc h ASP 29 Ca 0.07 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 2noc h ASP 29 Cb 0.83 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2noc h ASP 29 CO 0.07 0.97 0.19 0.15 -2.88 0.00 0.00 179.24 177.73 2noc h PHE 30 N 0.78 0.45 0.00 0.28 3.57 0.56 0.32 116.94 122.90 2noc h PHE 30 Ca 0.15 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 2noc h PHE 30 Cb 0.50 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2noc h PHE 30 CO 0.04 0.35 -0.38 0.38 -2.23 0.00 0.00 178.31 176.46 2noc h ASP 31 N 0.42 0.00 -0.06 0.41 3.04 -1.35 0.38 116.42 119.26 2noc h ASP 31 Ca 0.12 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.79 2noc h ASP 31 Cb 0.04 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.34 2noc h ASP 31 CO -0.02 0.38 -0.42 0.11 -2.04 0.00 0.00 179.24 177.26 2noc h LYS 32 N 0.00 0.39 0.00 4.15 6.56 -0.97 -3.24 116.57 123.47 2noc h LYS 32 Ca -0.00 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 2noc h LYS 32 Cb 0.71 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 2noc h LYS 32 CO 0.05 0.99 0.00 -0.39 -2.06 0.00 0.00 179.45 178.04 2noc h VAL 33 N -0.09 0.00 0.00 0.50 -1.51 -0.07 -2.92 116.25 112.15 2noc h VAL 33 Ca -0.03 -0.58 -0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2noc h VAL 33 Cb 1.08 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2noc h VAL 33 CO 0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.42 2noc h ALA 34 N 2.29 1.07 -0.04 5.19 0.00 -0.26 0.37 119.26 127.89 2noc h ALA 34 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2noc h ALA 34 Cb 0.73 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2noc h ALA 34 CO 0.00 0.01 -0.61 1.03 0.00 0.00 0.00 179.25 179.68 2noc h SER 35 N 0.00 0.15 -0.44 0.00 0.87 -1.64 -3.11 113.55 109.38 2noc h SER 35 Ca -0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2noc h SER 35 Cb 0.08 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2noc h SER 35 CO 0.00 0.73 0.00 -0.62 -0.53 0.00 0.00 176.83 176.41 2noc n GLU 36 N -3.84 3.77 -4.32 2.24 1.02 0.12 -4.96 120.64 114.67 2noc n GLU 36 Ca -0.02 -2.91 -0.17 0.00 -0.02 0.00 0.00 57.16 54.04 2noc n GLU 36 Cb 0.62 -1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.51 1.52 -0.10 -0.32 1.51 -0.30 -1.82 117.35 115.32 2noc s TYR 37 Ca 0.47 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2noc s TYR 37 Cb 0.35 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 2noc s TYR 37 CO 0.15 -0.04 -0.13 0.99 -1.11 0.00 0.00 175.55 175.40 2noc s THR 38 N -3.43 1.34 -0.44 -0.71 2.01 0.76 -4.83 115.64 110.35 2noc s THR 38 Ca 0.27 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 2noc s THR 38 Cb 0.05 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.33 2noc s THR 38 CO 0.08 0.41 1.42 -0.75 -0.69 0.00 0.00 174.62 175.09 2noc s LYS 39 N 1.07 3.52 0.08 4.92 2.20 -1.26 -0.09 119.74 130.17 2noc s LYS 39 Ca -0.06 0.86 0.28 0.00 -0.36 0.00 0.00 55.97 56.69 2noc s LYS 39 Cb -0.15 -4.04 1.03 0.00 -1.51 0.00 0.00 37.83 33.16 2noc s LYS 39 CO -0.02 -1.64 1.83 0.44 -0.36 0.00 0.00 175.35 175.61 2noc n ILE 40 N 7.06 0.22 0.00 5.43 -5.35 -1.23 -4.99 119.36 120.50 2noc n ILE 40 Ca 0.16 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2noc n ILE 40 Cb 0.48 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 1.43 0.85 3.77 3.28 0.00 -1.26 -5.12 105.19 108.14 2noc n GLY 41 Ca 0.06 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.36 4.35 0.32 2.61 2.01 -1.26 -3.67 115.64 118.64 2noc s THR 42 Ca 0.00 -1.10 0.10 0.00 0.31 0.00 0.00 61.69 61.00 2noc s THR 42 Cb 0.00 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 2noc s THR 42 CO 0.00 -0.07 -0.12 0.27 -0.69 0.00 0.00 174.62 174.00 2noc s ILE 43 N -1.69 2.24 0.29 1.82 -4.36 -0.49 -5.00 121.20 114.01 2noc s ILE 43 Ca 0.30 -2.25 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 2noc s ILE 43 Cb -0.10 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.09 2noc s ILE 43 CO 0.22 -0.27 0.55 -0.55 0.24 0.00 0.00 174.94 175.13 2noc s SER 44 N -3.56 0.09 -0.23 4.36 0.15 -1.26 -1.53 113.70 111.72 2noc s SER 44 Ca 0.31 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2noc s SER 44 Cb 0.01 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2noc s SER 44 CO 0.15 -1.27 -0.12 0.42 1.20 0.00 0.00 173.24 173.63 2noc s THR 45 N -3.59 2.48 -0.26 6.45 -4.23 -0.77 -4.90 115.64 110.83 2noc s THR 45 Ca 0.22 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 2noc s THR 45 Cb -0.02 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.65 2noc s THR 45 CO 0.11 0.27 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.47 2noc s THR 46 N 1.27 2.31 0.00 3.99 2.01 -1.26 -4.45 115.64 119.51 2noc s THR 46 Ca 0.00 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.50 2noc s THR 46 Cb -0.16 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.04 2noc s THR 46 CO -0.07 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2noc n GLY 47 N 4.49 0.06 2.94 4.40 0.00 -1.26 -5.03 105.19 110.78 2noc n GLY 47 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -2.14 -4.40 1.61 1.02 -1.26 -5.05 120.64 110.41 2noc n GLU 48 Ca 0.00 1.95 -0.30 0.00 -0.02 0.00 0.00 57.16 58.79 2noc n GLU 48 Cb 0.00 -5.49 -0.06 0.00 -0.02 0.00 0.00 31.44 25.87 2noc n GLU 48 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2noc s MET 49 N -2.71 2.20 0.43 3.49 -1.94 -1.26 -5.11 119.30 114.40 2noc s MET 49 Ca 0.20 -2.19 -0.25 0.00 -1.71 0.00 0.00 55.69 51.73 2noc s MET 49 Cb -0.05 -1.77 -0.08 0.00 2.01 0.00 0.00 34.83 34.94 2noc s MET 49 CO 0.77 -0.38 1.33 -1.12 -0.01 0.00 0.00 175.02 175.60 2noc s SER 50 N -3.99 6.13 0.23 3.03 0.01 -1.26 -4.75 113.70 113.10 2noc s SER 50 Ca 0.21 2.70 -0.07 0.00 1.31 0.00 0.00 55.95 60.10 2noc s SER 50 Cb 0.01 -2.64 0.39 0.00 0.21 0.00 0.00 66.02 64.00 2noc s SER 50 CO 0.12 -0.98 1.68 1.55 0.41 0.00 0.00 173.24 176.03 2noc h PRO 51 N 2.48 0.23 -0.29 12.44 0.13 -1.99 0.27 132.00 145.27 2noc h PRO 51 Ca -0.50 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 2noc h PRO 51 Cb 1.25 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2noc h PRO 51 CO 0.62 0.15 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.95 2noc h LEU 52 N 0.24 0.93 -0.39 1.56 3.38 -1.99 -2.44 115.31 116.59 2noc h LEU 52 Ca 0.38 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 2noc h LEU 52 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2noc h LEU 52 CO -0.49 1.27 -0.25 -0.78 0.09 0.00 0.00 178.44 178.28 2noc h ASP 53 N 0.65 0.90 -0.08 -0.43 3.58 -1.59 -0.84 116.42 118.60 2noc h ASP 53 Ca 0.02 -0.43 -0.07 0.00 0.42 0.00 0.00 57.03 56.97 2noc h ASP 53 Cb 1.12 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2noc h ASP 53 CO 0.12 1.13 -0.15 0.00 -2.88 0.00 0.00 179.24 177.45 2noc h ALA 54 N 0.79 1.27 -0.18 -0.78 0.00 -0.54 -2.02 119.26 117.81 2noc h ALA 54 Ca 0.08 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2noc h ALA 54 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2noc h ALA 54 CO 0.07 0.48 -0.28 0.00 0.00 0.00 0.00 179.25 179.52 2noc h ARG 55 N 0.40 0.50 -0.80 0.00 3.08 -1.11 -2.05 114.38 114.40 2noc h ARG 55 Ca 0.07 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 59.86 2noc h ARG 55 Cb 0.50 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 2noc h ARG 55 CO 0.03 0.90 0.53 0.93 -1.07 0.00 0.00 179.97 181.29 2noc h GLU 56 N 0.15 0.95 -0.11 0.04 4.39 -0.96 -0.58 114.58 118.46 2noc h GLU 56 Ca 0.02 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 2noc h GLU 56 Cb 0.86 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2noc h GLU 56 CO 0.06 0.63 -0.63 0.22 -1.16 0.00 0.00 179.01 178.13 2noc h ASP 57 N 0.98 0.46 -0.73 1.42 3.58 -1.27 0.03 116.42 120.89 2noc h ASP 57 Ca 0.32 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2noc h ASP 57 Cb 0.05 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2noc h ASP 57 CO -0.09 0.97 0.33 -0.07 -2.88 0.00 0.00 179.24 177.50 2noc h LEU 58 N 0.30 0.98 -0.60 2.28 3.38 -0.62 0.27 115.31 121.30 2noc h LEU 58 Ca -0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2noc h LEU 58 Cb 1.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2noc h LEU 58 CO 0.11 0.85 0.01 0.40 0.09 0.00 0.00 178.44 179.90 2noc h ILE 59 N 1.04 1.27 0.72 1.22 2.04 -0.76 0.13 117.51 123.16 2noc h ILE 59 Ca 0.25 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 2noc h ILE 59 Cb 0.15 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2noc h ILE 59 CO -0.03 0.41 -0.39 0.11 0.00 0.00 0.00 178.15 178.25 2noc h LYS 60 N 0.94 -1.00 -0.42 2.37 1.57 -0.73 -1.92 116.57 117.38 2noc h LYS 60 Ca 0.17 0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2noc h LYS 60 Cb 0.54 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2noc h LYS 60 CO 0.03 -0.67 -0.09 -0.22 -0.57 0.00 0.00 179.45 177.93 2noc h LYS 61 N -1.04 0.74 -0.60 3.15 3.64 -0.80 0.31 116.57 121.98 2noc h LYS 61 Ca -0.10 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2noc h LYS 61 Cb 0.82 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2noc h LYS 61 CO 0.13 0.81 0.37 0.00 -2.27 0.00 0.00 179.45 178.49 2noc h ALA 62 N 1.22 0.76 -0.61 5.00 0.00 -0.79 0.37 119.26 125.21 2noc h ALA 62 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2noc h ALA 62 Cb 0.55 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2noc h ALA 62 CO 0.03 0.23 0.28 0.22 0.00 0.00 0.00 179.25 180.01 2noc h ASP 63 N 0.81 0.80 -0.15 0.00 3.58 -0.42 -2.09 116.42 118.95 2noc h ASP 63 Ca 0.21 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2noc h ASP 63 Cb -0.04 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 2noc h ASP 63 CO -0.04 0.72 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.64 2noc h GLU 64 N 0.83 0.47 0.00 0.28 4.39 -0.07 -1.67 114.58 118.81 2noc h GLU 64 Ca 0.21 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2noc h GLU 64 Cb 0.13 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2noc h GLU 64 CO -0.02 0.55 -0.03 0.87 -1.16 0.00 0.00 179.01 179.21 2noc h LYS 65 N 0.44 0.00 -0.45 2.33 6.56 0.21 -3.46 116.57 122.20 2noc h LYS 65 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2noc h LYS 65 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2noc h LYS 65 CO 0.02 0.03 0.00 0.41 -2.06 0.00 0.00 179.45 177.85 2noc n GLY 66 N -0.30 0.75 3.86 3.86 0.00 -0.63 -5.08 105.19 107.65 2noc n GLY 66 Ca -0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.98 3.73 -0.15 4.61 0.00 -0.83 -4.74 121.76 122.40 2noc s ALA 67 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 2noc s ALA 67 Cb 0.00 -2.28 -0.24 0.00 0.00 0.00 0.00 23.12 20.60 2noc s ALA 67 CO 0.00 0.55 0.29 -3.47 0.00 0.00 0.00 175.76 173.13 2noc n ASP 68 N 1.12 2.07 -4.18 0.00 -0.08 0.19 -2.74 116.55 112.92 2noc n ASP 68 Ca -0.10 0.24 -0.26 0.00 -1.51 0.00 0.00 54.79 53.16 2noc n ASP 68 Cb 0.52 -0.86 -0.16 0.00 2.34 0.00 0.00 41.12 42.97 2noc n ASP 68 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2noc s VAL 69 N -2.52 1.48 0.02 5.18 1.01 -0.70 -0.22 120.40 124.66 2noc s VAL 69 Ca -0.25 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.00 2noc s VAL 69 Cb 0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2noc s VAL 69 CO 0.72 0.42 -0.19 0.68 0.00 0.00 0.00 175.10 176.73 2noc s VAL 70 N -0.39 1.51 -0.09 2.92 -7.23 -0.42 -1.06 120.40 115.64 2noc s VAL 70 Ca 0.06 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2noc s VAL 70 Cb -0.08 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2noc s VAL 70 CO -0.00 0.25 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.28 2noc s VAL 71 N -0.68 0.90 -0.99 1.32 1.01 0.11 -4.42 120.40 117.64 2noc s VAL 71 Ca 0.06 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 2noc s VAL 71 Cb -0.08 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.46 2noc s VAL 71 CO 0.01 0.34 1.34 -0.76 0.00 0.00 0.00 175.10 176.02 2noc s LEU 72 N 1.49 4.08 -0.00 3.92 1.43 -1.26 -0.12 118.68 128.22 2noc s LEU 72 Ca 0.00 -1.70 -0.23 0.00 -1.03 0.00 0.00 54.13 51.17 2noc s LEU 72 Cb -0.13 -2.51 -0.19 0.00 0.03 0.00 0.00 46.19 43.39 2noc s LEU 72 CO -0.05 -1.34 1.23 0.71 0.23 0.00 0.00 176.35 177.13 2noc h THR 73 N 6.41 1.42 -0.72 5.49 1.35 -1.90 -3.49 112.91 121.48 2noc h THR 73 Ca 0.19 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 2noc h THR 73 Cb 1.01 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 2noc h THR 73 CO 1.31 0.41 0.00 -1.20 -0.25 0.00 0.00 175.52 175.79 2noc n SER 74 N -4.62 -2.15 -3.96 5.36 7.64 0.13 -4.67 113.62 111.36 2noc n SER 74 Ca -0.08 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 2noc n SER 74 Cb 0.37 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.96 0.99 0.62 0.23 0.00 -1.26 -4.30 107.32 100.64 2noc s GLY 75 Ca 0.00 -0.76 0.34 0.00 0.00 0.00 0.00 44.72 44.30 2noc s GLY 75 CO 0.00 0.69 2.26 -1.61 0.00 0.00 0.00 173.10 174.44 2noc h GLN 76 N 8.11 0.00 -3.71 2.90 5.75 -2.00 -3.24 115.11 122.92 2noc h GLN 76 Ca -0.33 0.00 -0.73 0.00 -0.15 0.00 0.00 58.65 57.43 2noc h GLN 76 Cb 1.13 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.58 2noc h GLN 76 CO 0.47 0.00 2.58 0.25 -2.65 0.00 0.00 178.83 179.47 2noc n THR 77 N -3.60 3.94 -0.32 2.39 -2.24 -1.26 -4.81 114.28 108.38 2noc n THR 77 Ca -0.02 -3.73 0.20 0.00 -2.27 0.00 0.00 64.05 58.23 2noc n THR 77 Cb 0.12 -2.47 0.41 0.00 -2.10 0.00 0.00 70.33 66.28 2noc n THR 77 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2noc h GLU 78 N 5.84 0.31 0.00 -0.78 4.81 -1.99 0.15 114.58 122.92 2noc h GLU 78 Ca 0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 2noc h GLU 78 Cb 0.63 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2noc h GLU 78 CO 1.75 0.21 -0.07 -0.97 -0.73 0.00 0.00 179.01 179.20 2noc h ASN 79 N 0.32 0.00 -0.51 1.04 -0.73 -1.92 -3.10 115.58 110.68 2noc h ASN 79 Ca 0.67 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 58.56 2noc h ASN 79 Cb 1.45 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.64 2noc h ASN 79 CO -0.61 0.07 -1.09 2.29 -0.37 0.00 0.00 177.43 177.72 2noc n LYS 80 N -3.89 1.89 -1.74 6.67 2.85 0.40 -5.10 118.16 119.23 2noc n LYS 80 Ca -0.02 -3.56 -0.42 0.00 -1.05 0.00 0.00 58.31 53.25 2noc n LYS 80 Cb 0.16 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 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 -3.85 2.37 -1.10 0.58 -4.36 -0.40 -4.85 121.20 109.58 2noc s ILE 81 Ca 0.30 0.08 0.27 0.00 -0.26 0.00 0.00 60.65 61.03 2noc s ILE 81 Cb 0.34 -3.05 0.13 0.00 1.25 0.00 0.00 42.46 41.13 2noc s ILE 81 CO -0.03 0.00 1.61 0.00 0.24 0.00 0.00 174.94 176.77 2noc n HIS 82 N 4.92 0.00 -1.27 1.37 1.44 -1.26 -4.93 115.22 115.49 2noc n HIS 82 Ca 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 2noc n HIS 82 Cb 0.37 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.17 2noc n HIS 82 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2noc n GLY 83 N 1.47 -4.39 3.36 -1.39 0.00 -1.26 -1.84 105.19 101.13 2noc n GLY 83 Ca 0.07 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 2noc n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2noc s THR 84 N -2.46 0.04 -0.19 2.61 2.01 -1.26 -2.89 115.64 113.50 2noc s THR 84 Ca 0.00 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.49 2noc s THR 84 Cb 0.00 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.72 2noc s THR 84 CO 0.00 -0.17 0.57 0.00 -0.69 0.00 0.00 174.62 174.34 2noc s ALA 85 N -1.66 -1.43 -0.21 7.40 0.00 -0.58 0.21 121.76 125.49 2noc s ALA 85 Ca -0.10 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 2noc s ALA 85 Cb -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2noc s ALA 85 CO 0.04 -0.28 -0.09 0.34 0.00 0.00 0.00 175.76 175.77 2noc s ASP 86 N 0.03 3.96 0.17 0.00 -1.08 0.83 -1.39 116.67 119.18 2noc s ASP 86 Ca -0.02 -0.47 0.10 0.00 -0.52 0.00 0.00 52.55 51.65 2noc s ASP 86 Cb -0.04 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 2noc s ASP 86 CO 0.02 -0.01 -0.20 0.27 0.52 0.00 0.00 175.17 175.77 2noc s ILE 87 N 1.42 2.62 0.05 4.11 -4.36 -1.24 -0.72 121.20 123.07 2noc s ILE 87 Ca 0.06 -1.85 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 2noc s ILE 87 Cb -0.14 -2.25 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 2noc s ILE 87 CO -0.06 -0.07 -0.08 -0.31 0.24 0.00 0.00 174.94 174.66 2noc s TYR 88 N -1.56 0.73 0.04 1.37 1.51 -0.23 -3.56 117.35 115.66 2noc s TYR 88 Ca 0.21 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 2noc s TYR 88 Cb -0.09 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2noc s TYR 88 CO 0.11 -0.07 -0.07 -1.59 -1.11 0.00 0.00 175.55 172.82 2noc s LYS 89 N -1.59 2.43 0.21 -0.62 -2.85 0.87 -0.64 119.74 117.55 2noc s LYS 89 Ca -0.09 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 53.75 2noc s LYS 89 Cb -0.10 -2.45 -0.09 0.00 -2.06 0.00 0.00 37.83 33.13 2noc s LYS 89 CO 0.01 0.57 1.40 0.21 0.10 0.00 0.00 175.35 177.63 2noc s LYS 90 N -1.76 4.31 0.46 1.78 2.20 -1.26 -0.17 119.74 125.31 2noc s LYS 90 Ca 0.19 2.19 -0.08 0.00 -0.36 0.00 0.00 55.97 57.92 2noc s LYS 90 Cb -0.11 -3.16 0.11 0.00 -1.51 0.00 0.00 37.83 33.16 2noc s LYS 90 CO 0.11 -0.38 0.57 1.63 -0.36 0.00 0.00 175.35 176.92 2noc n LYS 91 N 2.78 -0.89 0.00 4.03 5.02 -0.76 -4.83 118.16 123.52 2noc n LYS 91 Ca 0.08 -0.89 0.13 0.00 -2.02 0.00 0.00 58.31 55.61 2noc n LYS 91 Cb 0.41 -0.64 0.45 0.00 -0.02 0.00 0.00 35.03 35.23 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 0.36 -0.29 -0.35 -0.00 -1.26 -3.70 117.00 111.76 2noc n LEU 92 Ca 0.07 0.15 0.11 0.00 -0.00 0.00 0.00 56.01 56.35 2noc n LEU 92 Cb 0.26 -0.31 0.52 0.00 -0.00 0.00 0.00 43.42 43.88 2noc n LEU 92 CO 0.19 0.08 0.85 -0.62 -0.00 0.00 0.00 177.39 177.89 2noc n GLU 93 N -1.35 1.38 -3.79 1.47 1.02 -1.26 -4.70 120.64 113.41 2noc n GLU 93 Ca 0.08 -0.57 -0.22 0.00 -0.02 0.00 0.00 57.16 56.43 2noc n GLU 93 Cb 0.33 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.91 0.54 0.18 -0.32 2.46 -1.24 -4.90 115.29 110.09 2noc s HIS 94 Ca 0.33 -0.09 0.08 0.00 0.47 0.00 0.00 55.06 55.86 2noc s HIS 94 Cb 0.17 -0.71 -0.04 0.00 -0.13 0.00 0.00 32.58 31.87 2noc s HIS 94 CO 0.27 -0.28 -0.07 -1.01 -2.47 0.00 0.00 174.74 171.18 2noc s HIS 95 N 1.87 2.70 0.17 3.88 3.76 -1.26 -4.70 115.29 121.69 2noc s HIS 95 Ca 0.03 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 2noc s HIS 95 Cb -0.12 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.25 2noc s HIS 95 CO -0.04 0.51 0.00 1.58 -0.85 0.00 0.00 174.74 175.94 2noc n HIS 96 N 0.01 -2.64 -4.53 1.40 -0.00 -1.26 -5.05 115.22 103.15 2noc n HIS 96 Ca -0.10 1.47 -0.24 0.00 -0.00 0.00 0.00 57.72 58.84 2noc n HIS 96 Cb 0.55 -2.78 -0.17 0.00 -0.00 0.00 0.00 29.99 27.59 2noc n HIS 96 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2noc s HIS 97 N -1.00 1.41 0.02 1.57 2.46 -1.26 -5.12 115.29 113.35 2noc s HIS 97 Ca 0.00 -0.52 -0.30 0.00 0.47 0.00 0.00 55.06 54.71 2noc s HIS 97 Cb 0.00 -1.05 -0.04 0.00 -0.13 0.00 0.00 32.58 31.36 2noc s HIS 97 CO 0.00 -0.28 1.08 -1.58 -2.47 0.00 0.00 174.74 171.49 2noc s HIS 98 N 0.72 3.54 -2.05 3.88 2.46 -1.26 -5.22 115.29 117.36 2noc s HIS 98 Ca -0.14 1.51 0.16 0.00 0.47 0.00 0.00 55.06 57.07 2noc s HIS 98 Cb -0.16 -3.26 0.13 0.00 -0.13 0.00 0.00 32.58 29.16 2noc s HIS 98 CO 0.03 -0.60 1.02 -2.39 -2.47 0.00 0.00 174.74 170.33