#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 2.58 0.06 0.03 1.02 -1.26 -4.99 119.74 117.17 2noc s LYS 2 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2noc s LYS 2 Cb 0.00 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2noc s LYS 2 CO 0.00 -0.65 0.00 2.41 -0.92 0.00 0.00 175.35 176.19 2noc n THR 3 N -2.26 -1.65 -2.71 2.17 -1.04 -1.26 -5.02 114.28 102.51 2noc n THR 3 Ca 0.08 0.36 -0.29 0.00 -2.04 0.00 0.00 64.05 62.16 2noc n THR 3 Cb 0.60 -1.15 -0.02 0.00 -1.82 0.00 0.00 70.33 67.94 2noc n THR 3 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2noc s GLY 4 N -1.38 1.79 -0.21 3.41 0.00 -1.26 -5.08 107.32 104.60 2noc s GLY 4 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 2noc s GLY 4 CO 0.00 -0.09 -0.03 -2.52 0.00 0.00 0.00 173.10 170.46 2noc s TYR 5 N -2.54 1.85 -0.38 1.90 1.13 -1.26 -5.07 117.35 112.98 2noc s TYR 5 Ca 0.50 -1.35 -0.02 0.00 -1.41 0.00 0.00 57.07 54.80 2noc s TYR 5 Cb -0.10 -1.36 0.10 0.00 -1.10 0.00 0.00 41.96 39.49 2noc s TYR 5 CO 0.37 -0.69 0.15 0.15 -2.51 0.00 0.00 175.55 173.02 2noc s LYS 6 N 1.58 1.99 -0.02 -3.49 3.01 -1.26 -5.10 119.74 116.45 2noc s LYS 6 Ca -0.03 -1.74 -0.29 0.00 -1.01 0.00 0.00 55.97 52.90 2noc s LYS 6 Cb -0.17 -3.47 -0.03 0.00 -1.01 0.00 0.00 37.83 33.15 2noc s LYS 6 CO -0.07 -0.98 0.93 0.14 0.51 0.00 0.00 175.35 175.87 2noc s VAL 7 N 1.12 4.90 -0.11 3.17 -7.23 -1.26 -5.03 120.40 115.95 2noc s VAL 7 Ca 0.07 1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 62.14 2noc s VAL 7 Cb -0.22 -4.26 0.05 0.00 0.56 0.00 0.00 36.38 32.51 2noc s VAL 7 CO -0.04 0.17 0.12 -0.04 -0.31 0.00 0.00 175.10 175.00 2noc s MET 8 N 1.05 0.03 0.16 4.82 -1.94 -1.26 -5.15 119.30 117.02 2noc s MET 8 Ca 0.49 0.29 0.08 0.00 -1.71 0.00 0.00 55.69 54.84 2noc s MET 8 Cb -0.20 -0.89 -0.04 0.00 2.01 0.00 0.00 34.83 35.71 2noc s MET 8 CO 0.25 -0.46 -0.18 -0.48 -0.01 0.00 0.00 175.02 174.14 2noc s LEU 9 N 2.23 2.43 0.00 -0.03 0.05 -1.26 -5.00 118.68 117.10 2noc s LEU 9 Ca 0.04 -0.86 0.21 0.00 0.05 0.00 0.00 54.13 53.58 2noc s LEU 9 Cb -0.14 -0.79 0.35 0.00 -2.05 0.00 0.00 46.19 43.57 2noc s LEU 9 CO -0.07 -0.05 1.14 0.61 -0.55 0.00 0.00 176.35 177.43 2noc n GLY 10 N 0.32 0.91 4.01 -3.48 0.00 -1.26 -5.11 105.19 100.58 2noc n GLY 10 Ca -0.13 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 2noc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc s ALA 11 N 0.00 4.51 0.00 4.61 0.00 -1.26 -5.00 121.76 124.62 2noc s ALA 11 Ca 0.28 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2noc s ALA 11 Cb 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2noc s ALA 11 CO -0.14 -0.27 0.00 -0.11 0.00 0.00 0.00 175.76 175.24 2noc n LEU 12 N -1.84 0.00 0.00 0.00 7.94 -1.26 -4.99 117.00 116.85 2noc n LEU 12 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2noc n LEU 12 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 2noc n LEU 12 CO 0.39 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.67 2noc n ALA 13 N -1.20 0.00 -3.63 1.96 0.00 -1.26 -2.50 120.51 113.87 2noc n ALA 13 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2noc n ALA 13 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2noc n ALA 13 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2noc s PHE 14 N 0.51 -0.56 -0.01 0.00 -0.71 -1.26 -4.71 117.98 111.24 2noc s PHE 14 Ca 0.00 1.35 -0.18 0.00 -1.04 0.00 0.00 56.93 57.05 2noc s PHE 14 Cb 0.00 0.34 -0.33 0.00 -1.21 0.00 0.00 43.02 41.82 2noc s PHE 14 CO 0.00 -0.27 0.93 -0.24 -1.34 0.00 0.00 175.22 174.29 2noc h VAL 15 N 3.68 1.36 -1.20 -2.49 3.04 -2.00 -3.49 116.25 115.16 2noc h VAL 15 Ca -0.28 -2.61 0.19 0.00 -1.01 0.00 0.00 66.70 62.99 2noc h VAL 15 Cb 1.17 3.10 -0.27 0.00 -2.01 0.00 0.00 31.29 33.28 2noc h VAL 15 CO 0.10 0.77 0.84 0.54 -1.01 0.00 0.00 177.57 178.80 2noc s VAL 16 N -2.52 0.00 -0.02 1.51 0.11 -1.26 -5.04 120.40 113.18 2noc s VAL 16 Ca -0.12 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 2noc s VAL 16 Cb 0.03 -1.00 -0.25 0.00 -1.53 0.00 0.00 36.38 33.63 2noc s VAL 16 CO 0.89 0.00 0.77 0.00 -3.33 0.00 0.00 175.10 173.42 2noc h THR 17 N 2.28 1.03 -1.98 5.04 1.03 -1.99 -3.51 112.91 114.81 2noc h THR 17 Ca -0.12 -2.78 0.00 0.00 -0.01 0.00 0.00 66.41 63.50 2noc h THR 17 Cb 1.18 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.86 2noc h THR 17 CO 0.24 0.72 -0.47 -3.20 -0.01 0.00 0.00 175.52 172.80 2noc n ASN 18 N -3.29 -5.42 0.16 0.00 5.15 -1.26 -4.84 115.26 105.76 2noc n ASN 18 Ca -0.17 0.66 0.04 0.00 -0.60 0.00 0.00 54.58 54.51 2noc n ASN 18 Cb 1.03 -1.98 0.16 0.00 -0.53 0.00 0.00 39.78 38.46 2noc n ASN 18 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 2noc h VAL 19 N 1.27 0.84 -3.10 3.44 3.04 -1.98 -3.44 116.25 116.32 2noc h VAL 19 Ca 0.00 -1.92 -0.01 0.00 -1.01 0.00 0.00 66.70 63.76 2noc h VAL 19 Cb 0.00 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2noc h VAL 19 CO 0.00 0.43 0.00 -1.22 -1.01 0.00 0.00 177.57 175.78 2noc n TYR 20 N -3.32 -3.47 -0.07 3.17 4.01 -1.26 -5.06 117.16 111.15 2noc n TYR 20 Ca 0.01 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 2noc n TYR 20 Cb 0.64 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 2noc n TYR 20 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2noc h ALA 21 N -0.70 0.01 -2.76 -0.72 0.00 -1.86 -3.48 119.26 109.75 2noc h ALA 21 Ca -0.01 -0.49 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 2noc h ALA 21 Cb 0.03 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2noc h ALA 21 CO 0.01 0.46 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 2noc s ALA 22 N -2.69 3.87 0.02 0.00 0.00 -0.89 -3.83 121.76 118.25 2noc s ALA 22 Ca -0.14 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 2noc s ALA 22 Cb 0.02 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.15 2noc s ALA 22 CO 0.22 0.70 0.35 -2.00 0.00 0.00 0.00 175.76 175.02 2noc s GLU 23 N -2.69 0.79 0.23 0.00 2.56 -0.54 -4.93 118.70 114.13 2noc s GLU 23 Ca 0.39 -0.32 -0.25 0.00 0.00 0.00 0.00 54.97 54.79 2noc s GLU 23 Cb -0.12 0.35 -0.09 0.00 2.00 0.00 0.00 34.13 36.27 2noc s GLU 23 CO 0.26 -0.25 0.84 0.42 -0.56 0.00 0.00 175.26 175.98 2noc s ILE 24 N -1.99 4.30 -0.01 -3.70 -1.09 -1.26 -0.24 121.20 117.20 2noc s ILE 24 Ca -0.09 1.73 0.04 0.00 -2.23 0.00 0.00 60.65 60.11 2noc s ILE 24 Cb -0.02 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 2noc s ILE 24 CO 0.01 0.36 -0.14 -0.04 -1.23 0.00 0.00 174.94 173.90 2noc s MET 25 N -1.56 1.14 0.83 2.79 -1.94 -1.25 -4.95 119.30 114.36 2noc s MET 25 Ca 0.42 -0.48 -0.13 0.00 -1.71 0.00 0.00 55.69 53.79 2noc s MET 25 Cb -0.21 -1.09 0.09 0.00 2.01 0.00 0.00 34.83 35.63 2noc s MET 25 CO 0.26 0.28 1.19 1.63 -0.01 0.00 0.00 175.02 178.37 2noc n LYS 26 N 2.81 0.09 0.24 2.03 5.02 -1.26 -4.73 118.16 122.35 2noc n LYS 26 Ca -0.15 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.37 2noc n LYS 26 Cb 0.55 -2.43 0.50 0.00 -0.02 0.00 0.00 35.03 33.63 2noc n LYS 26 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2noc h LYS 27 N -1.05 0.00 0.00 1.97 6.56 -2.00 0.60 116.57 122.65 2noc h LYS 27 Ca -0.46 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2noc h LYS 27 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2noc h LYS 27 CO 0.45 0.15 -0.00 1.79 -2.06 0.00 0.00 179.45 179.78 2noc h THR 28 N 0.00 1.37 0.00 -0.16 1.35 -2.00 -2.31 112.91 111.15 2noc h THR 28 Ca -0.00 -1.09 -0.12 0.00 -0.55 0.00 0.00 66.41 64.64 2noc h THR 28 Cb 0.71 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 2noc h THR 28 CO 0.02 0.28 -0.59 0.44 -0.25 0.00 0.00 175.52 175.42 2noc h ASP 29 N -0.47 0.00 -0.31 5.36 5.19 -1.86 -2.94 116.42 121.39 2noc h ASP 29 Ca -0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2noc h ASP 29 Cb 0.47 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 2noc h ASP 29 CO 0.00 0.59 0.07 0.15 -3.12 0.00 0.00 179.24 176.94 2noc h PHE 30 N 0.00 0.13 -0.29 4.55 3.57 0.24 0.60 116.94 125.73 2noc h PHE 30 Ca -0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2noc h PHE 30 Cb 1.07 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2noc h PHE 30 CO 0.00 0.04 0.02 0.22 -2.23 0.00 0.00 178.31 176.36 2noc h ASP 31 N 0.19 0.40 0.31 0.41 3.58 -1.24 0.21 116.42 120.27 2noc h ASP 31 Ca 0.14 -0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.25 2noc h ASP 31 Cb 0.15 -0.10 0.02 0.00 1.72 0.00 0.00 39.33 41.11 2noc h ASP 31 CO -0.18 0.45 -1.22 0.11 -2.88 0.00 0.00 179.24 175.52 2noc h LYS 32 N 0.42 0.49 -0.00 0.28 6.56 -1.23 -3.23 116.57 119.86 2noc h LYS 32 Ca 0.10 -0.69 0.00 0.00 -1.06 0.00 0.00 60.65 59.00 2noc h LYS 32 Cb 0.25 0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2noc h LYS 32 CO 0.00 1.30 -0.13 1.33 -2.06 0.00 0.00 179.45 179.90 2noc n VAL 33 N -3.71 0.00 0.25 0.50 0.24 0.20 -2.63 118.33 113.19 2noc n VAL 33 Ca -0.12 -0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.29 2noc n VAL 33 Cb 0.98 -0.27 0.57 0.00 -1.47 0.00 0.00 33.84 33.65 2noc n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2noc n ALA 34 N -1.39 1.27 0.01 2.33 0.00 0.70 -0.43 120.51 123.00 2noc n ALA 34 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2noc n ALA 34 Cb 0.32 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 2noc n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2noc n SER 35 N -2.28 0.58 -0.18 0.00 2.88 -1.08 -4.24 113.62 109.31 2noc n SER 35 Ca -0.00 0.25 0.11 0.00 -1.33 0.00 0.00 58.87 57.90 2noc n SER 35 Cb 0.11 0.59 -0.04 0.00 -0.75 0.00 0.00 64.21 64.12 2noc n SER 35 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2noc n GLU 36 N -2.76 0.46 -4.33 -1.46 1.02 -0.38 -4.11 120.64 109.07 2noc n GLU 36 Ca -0.12 -0.37 -0.17 0.00 -0.02 0.00 0.00 57.16 56.47 2noc n GLU 36 Cb 0.84 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.80 1.59 0.11 -0.32 1.51 0.43 -2.12 117.35 115.75 2noc s TYR 37 Ca 0.12 -0.82 0.07 0.00 -1.01 0.00 0.00 57.07 55.43 2noc s TYR 37 Cb 0.17 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 2noc s TYR 37 CO 0.74 0.07 -0.17 0.99 -1.11 0.00 0.00 175.55 176.08 2noc s THR 38 N -3.29 1.49 0.10 -0.71 2.01 0.12 -4.76 115.64 110.58 2noc s THR 38 Ca 0.26 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.33 2noc s THR 38 Cb 0.04 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 2noc s THR 38 CO 0.07 -0.26 1.01 -0.75 -0.69 0.00 0.00 174.62 174.01 2noc s LYS 39 N -2.29 4.63 -0.05 4.92 2.47 -1.26 0.05 119.74 128.21 2noc s LYS 39 Ca 0.07 1.52 0.07 0.00 -1.56 0.00 0.00 55.97 56.07 2noc s LYS 39 Cb -0.08 -3.37 0.11 0.00 -1.46 0.00 0.00 37.83 33.03 2noc s LYS 39 CO 0.04 0.09 0.99 0.44 0.16 0.00 0.00 175.35 177.07 2noc n ILE 40 N 3.04 1.05 0.00 5.43 -5.35 -1.19 -4.89 119.36 117.46 2noc n ILE 40 Ca 0.04 -1.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.33 2noc n ILE 40 Cb 0.49 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2noc n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2noc n GLY 41 N -0.70 2.17 3.80 3.28 0.00 -1.26 -5.01 105.19 107.46 2noc n GLY 41 Ca 0.06 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.22 4.37 0.34 2.61 2.01 -1.26 -3.01 115.64 118.48 2noc s THR 42 Ca 0.00 -1.34 0.10 0.00 0.31 0.00 0.00 61.69 60.76 2noc s THR 42 Cb 0.00 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 2noc s THR 42 CO 0.00 -0.27 -0.11 0.27 -0.69 0.00 0.00 174.62 173.82 2noc s ILE 43 N -2.01 2.28 0.34 1.82 -4.36 0.71 -4.99 121.20 114.99 2noc s ILE 43 Ca 0.32 -2.23 -0.05 0.00 -0.26 0.00 0.00 60.65 58.43 2noc s ILE 43 Cb -0.08 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 41.03 2noc s ILE 43 CO 0.24 -0.23 0.52 -0.55 0.24 0.00 0.00 174.94 175.16 2noc s SER 44 N -3.60 0.74 -0.06 4.36 0.15 -1.26 -0.94 113.70 113.09 2noc s SER 44 Ca 0.32 -1.41 0.03 0.00 0.70 0.00 0.00 55.95 55.59 2noc s SER 44 Cb 0.01 0.68 0.01 0.00 -1.71 0.00 0.00 66.02 65.02 2noc s SER 44 CO 0.16 -1.34 -0.14 0.42 1.20 0.00 0.00 173.24 173.54 2noc s THR 45 N -3.01 1.24 -0.21 6.45 -4.23 -0.87 -4.97 115.64 110.04 2noc s THR 45 Ca 0.28 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 60.10 2noc s THR 45 Cb -0.01 -1.11 0.06 0.00 1.34 0.00 0.00 72.50 72.79 2noc s THR 45 CO 0.18 0.37 0.52 -0.89 -0.54 0.00 0.00 174.62 174.27 2noc s THR 46 N 0.50 -0.01 0.00 3.99 2.01 -1.26 -4.01 115.64 116.85 2noc s THR 46 Ca -0.12 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2noc s THR 46 Cb -0.15 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2noc s THR 46 CO 0.04 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2noc n GLY 47 N 3.99 0.03 2.60 4.40 0.00 -1.26 -5.00 105.19 109.95 2noc n GLY 47 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.62 -1.49 1.61 1.02 -1.15 -5.09 120.64 111.93 2noc n GLU 48 Ca 0.00 2.85 0.00 0.00 -0.02 0.00 0.00 57.16 59.99 2noc n GLU 48 Cb 0.00 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 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 0.95 0.55 -2.89 3.49 2.81 -1.26 -5.06 117.12 115.71 2noc n MET 49 Ca -0.13 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.39 2noc n MET 49 Cb 0.20 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.64 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 -0.49 7.26 0.18 7.83 0.01 -1.26 -4.84 113.70 122.39 2noc s SER 50 Ca 0.00 1.70 -0.11 0.00 1.31 0.00 0.00 55.95 58.84 2noc s SER 50 Cb 0.00 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.80 2noc s SER 50 CO 0.00 -0.01 1.76 1.55 0.41 0.00 0.00 173.24 176.95 2noc h PRO 51 N 3.35 0.92 -0.39 12.44 0.13 -1.99 0.22 132.00 146.68 2noc h PRO 51 Ca -0.47 -0.14 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 2noc h PRO 51 Cb 1.19 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2noc h PRO 51 CO 0.65 0.75 -0.36 -0.07 -0.23 0.00 0.00 178.00 178.74 2noc h LEU 52 N 0.88 0.98 -0.86 1.56 3.38 -1.99 -1.05 115.31 118.21 2noc h LEU 52 Ca 0.22 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2noc h LEU 52 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2noc h LEU 52 CO -0.03 1.23 0.21 -0.78 0.09 0.00 0.00 178.44 179.16 2noc h ASP 53 N 0.76 0.98 -0.53 -0.43 3.58 -1.87 -0.53 116.42 118.39 2noc h ASP 53 Ca 0.07 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.30 2noc h ASP 53 Cb 0.94 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2noc h ASP 53 CO 0.09 0.92 0.17 0.00 -2.88 0.00 0.00 179.24 177.53 2noc h ALA 54 N 1.21 0.69 0.07 -0.78 0.00 -0.46 -2.67 119.26 117.32 2noc h ALA 54 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2noc h ALA 54 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2noc h ALA 54 CO -0.01 0.34 -0.10 -0.09 0.00 0.00 0.00 179.25 179.40 2noc h ARG 55 N 0.72 -0.20 -0.62 0.00 2.43 -0.45 0.20 114.38 116.46 2noc h ARG 55 Ca 0.17 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2noc h ARG 55 Cb 0.27 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2noc h ARG 55 CO -0.01 -0.13 0.36 0.93 -1.51 0.00 0.00 179.97 179.62 2noc h GLU 56 N -0.20 0.83 -0.34 0.20 5.08 -1.11 0.24 114.58 119.29 2noc h GLU 56 Ca 0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2noc h GLU 56 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2noc h GLU 56 CO -0.05 0.59 -0.10 0.22 -1.00 0.00 0.00 179.01 178.67 2noc h ASP 57 N 0.85 0.68 -0.04 1.42 3.58 -1.09 -1.47 116.42 120.34 2noc h ASP 57 Ca 0.22 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2noc h ASP 57 Cb -0.02 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 2noc h ASP 57 CO -0.04 0.90 0.01 -0.07 -2.88 0.00 0.00 179.24 177.16 2noc h LEU 58 N 0.45 0.06 -0.29 2.28 3.38 -0.11 -1.48 115.31 119.61 2noc h LEU 58 Ca 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2noc h LEU 58 Cb 0.61 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2noc h LEU 58 CO 0.04 0.26 0.10 0.40 0.09 0.00 0.00 178.44 179.33 2noc h ILE 59 N -0.14 1.19 -0.37 1.22 2.04 -0.54 -0.83 117.51 120.09 2noc h ILE 59 Ca 0.01 -0.58 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 2noc h ILE 59 Cb 0.22 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2noc h ILE 59 CO -0.00 0.20 -0.34 0.07 0.00 0.00 0.00 178.15 178.07 2noc h LYS 60 N 0.31 0.88 -0.40 2.37 2.10 -1.30 -2.40 116.57 118.12 2noc h LYS 60 Ca 0.09 -0.46 -0.11 0.00 -2.00 0.00 0.00 60.65 58.18 2noc h LYS 60 Cb 0.21 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 2noc h LYS 60 CO -0.01 1.10 -0.16 -0.22 -2.00 0.00 0.00 179.45 178.16 2noc h LYS 61 N 0.68 0.81 -0.28 0.07 3.64 -1.12 0.55 116.57 120.92 2noc h LYS 61 Ca 0.06 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2noc h LYS 61 Cb 0.93 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2noc h LYS 61 CO 0.09 0.97 0.18 0.00 -2.27 0.00 0.00 179.45 178.41 2noc h ALA 62 N 0.82 0.35 -0.83 5.00 0.00 -1.17 0.27 119.26 123.70 2noc h ALA 62 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2noc h ALA 62 Cb 0.71 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2noc h ALA 62 CO 0.05 -0.19 0.43 0.22 0.00 0.00 0.00 179.25 179.76 2noc h ASP 63 N 0.36 1.06 0.99 0.00 3.58 -1.12 -2.33 116.42 118.97 2noc h ASP 63 Ca 0.11 -0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 2noc h ASP 63 Cb -0.03 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2noc h ASP 63 CO -0.03 0.88 -0.44 -0.33 -2.88 0.00 0.00 179.24 176.44 2noc h GLU 64 N 1.18 0.00 0.00 0.28 5.08 0.55 -2.14 114.58 119.52 2noc h GLU 64 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2noc h GLU 64 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2noc h GLU 64 CO -0.04 0.44 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.12 2noc h LYS 65 N 0.00 0.00 0.00 2.33 3.64 -0.16 -3.47 116.57 118.91 2noc h LYS 65 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2noc h LYS 65 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2noc h LYS 65 CO 0.06 0.07 0.00 0.41 -2.27 0.00 0.00 179.45 177.71 2noc n GLY 66 N 0.34 1.04 3.65 5.01 0.00 -0.81 -5.10 105.19 109.33 2noc n GLY 66 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2noc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2noc n ALA 67 N -0.14 0.56 -0.10 4.61 0.00 -0.90 -4.85 120.51 119.69 2noc n ALA 67 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 2noc n ALA 67 Cb 0.00 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.14 2noc n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2noc n ASP 68 N -0.80 1.61 -4.18 0.00 9.92 0.11 -2.09 116.55 121.13 2noc n ASP 68 Ca 0.13 -0.05 -0.26 0.00 -0.53 0.00 0.00 54.79 54.08 2noc n ASP 68 Cb 0.46 -0.21 -0.16 0.00 -0.64 0.00 0.00 41.12 40.57 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 -2.52 1.49 0.01 2.53 1.01 0.08 -1.47 120.40 121.53 2noc s VAL 69 Ca -0.28 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 60.98 2noc s VAL 69 Cb 0.08 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2noc s VAL 69 CO 0.67 0.42 -0.22 0.68 0.00 0.00 0.00 175.10 176.66 2noc s VAL 70 N -0.33 1.72 -0.24 2.92 -7.23 0.67 0.01 120.40 117.91 2noc s VAL 70 Ca 0.05 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2noc s VAL 70 Cb -0.08 -1.46 0.06 0.00 0.56 0.00 0.00 36.38 35.46 2noc s VAL 70 CO 0.00 0.36 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.40 2noc s VAL 71 N -0.64 1.64 -1.33 1.32 1.01 0.25 -3.78 120.40 118.87 2noc s VAL 71 Ca 0.08 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.59 2noc s VAL 71 Cb -0.09 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.48 2noc s VAL 71 CO 0.00 -0.10 1.83 0.18 0.00 0.00 0.00 175.10 177.01 2noc n LEU 72 N 4.63 5.50 -0.28 3.92 4.77 -1.26 -0.53 117.00 133.75 2noc n LEU 72 Ca -0.12 -4.06 -0.05 0.00 -0.03 0.00 0.00 56.01 51.74 2noc n LEU 72 Cb 0.44 -1.70 0.06 0.00 -2.33 0.00 0.00 43.42 39.89 2noc n LEU 72 CO 0.18 0.49 1.09 0.71 -1.33 0.00 0.00 177.39 178.54 2noc h THR 73 N 5.02 1.24 -2.31 -5.08 1.35 -1.89 -3.48 112.91 107.76 2noc h THR 73 Ca 0.46 -0.66 0.11 0.00 -0.55 0.00 0.00 66.41 65.77 2noc h THR 73 Cb 0.80 0.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.46 2noc h THR 73 CO 1.55 0.28 -0.15 -1.20 -0.25 0.00 0.00 175.52 175.75 2noc n SER 74 N -4.39 -6.62 0.00 5.36 7.64 0.15 -4.88 113.62 110.89 2noc n SER 74 Ca 0.07 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2noc n SER 74 Cb 0.13 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2noc n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2noc n GLY 75 N -1.18 5.16 2.66 0.23 0.00 -1.26 -4.09 105.19 106.71 2noc n GLY 75 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 2noc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2noc n GLN 76 N 0.00 1.15 -3.55 1.61 7.27 -1.26 -4.93 117.38 117.66 2noc n GLN 76 Ca 0.00 -2.81 -0.27 0.00 0.07 0.00 0.00 57.00 53.99 2noc n GLN 76 Cb 0.00 -0.89 -0.10 0.00 2.41 0.00 0.00 30.24 31.66 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 -0.21 -0.03 0.38 1.69 -1.04 -1.26 -4.96 114.28 108.84 2noc n THR 77 Ca 0.06 -4.05 0.14 0.00 -2.04 0.00 0.00 64.05 58.16 2noc n THR 77 Cb 0.82 -1.88 0.51 0.00 -1.82 0.00 0.00 70.33 67.97 2noc n THR 77 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2noc h GLU 78 N 5.36 0.00 0.36 -2.82 3.07 -1.94 0.50 114.58 119.11 2noc h GLU 78 Ca 0.21 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2noc h GLU 78 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2noc h GLU 78 CO 0.52 0.00 -0.31 -0.97 -1.40 0.00 0.00 179.01 176.85 2noc h ASN 79 N 0.00 -0.83 -0.00 1.42 -0.73 -1.96 -3.30 115.58 110.17 2noc h ASN 79 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2noc h ASN 79 Cb 0.52 0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.37 2noc h ASN 79 CO 0.00 -0.42 -0.65 2.29 -0.37 0.00 0.00 177.43 178.27 2noc n LYS 80 N -4.25 1.91 -1.38 6.67 2.85 -1.24 -4.80 118.16 117.93 2noc n LYS 80 Ca -0.08 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2noc n LYS 80 Cb 0.29 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 2noc n LYS 80 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2noc n ILE 81 N -1.15 -2.85 -1.83 0.58 5.41 0.17 -2.95 119.36 116.74 2noc n ILE 81 Ca 0.04 1.39 -0.04 0.00 1.00 0.00 0.00 62.75 65.13 2noc n ILE 81 Cb 0.26 -2.23 -0.04 0.00 -0.71 0.00 0.00 39.64 36.91 2noc n ILE 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2noc n HIS 82 N -2.25 0.00 -2.53 1.39 -0.00 -1.25 -4.67 115.22 105.90 2noc n HIS 82 Ca 0.00 -0.31 -0.39 0.00 0.46 0.00 0.00 57.72 57.47 2noc n HIS 82 Cb 0.36 0.40 -0.05 0.00 -0.12 0.00 0.00 29.99 30.59 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 -0.62 3.00 0.22 1.57 0.00 -1.26 -4.58 107.32 105.64 2noc s GLY 83 Ca 0.00 0.81 0.09 0.00 0.00 0.00 0.00 44.72 45.61 2noc s GLY 83 CO 0.00 1.37 -0.02 -0.51 0.00 0.00 0.00 173.10 173.93 2noc s THR 84 N -1.28 3.49 -0.03 0.90 -4.23 -1.26 -2.04 115.64 111.18 2noc s THR 84 Ca 0.47 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2noc s THR 84 Cb -0.29 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 70.78 2noc s THR 84 CO 0.36 -0.22 -0.03 0.00 -0.54 0.00 0.00 174.62 174.20 2noc s ALA 85 N -1.98 0.44 -0.19 3.99 0.00 -0.12 0.34 121.76 124.24 2noc s ALA 85 Ca 0.28 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 2noc s ALA 85 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2noc s ALA 85 CO 0.18 -0.01 -0.01 0.34 0.00 0.00 0.00 175.76 176.27 2noc s ASP 86 N 0.68 4.82 0.17 0.00 2.15 0.31 -0.21 116.67 124.59 2noc s ASP 86 Ca -0.08 -0.19 0.09 0.00 0.43 0.00 0.00 52.55 52.81 2noc s ASP 86 Cb -0.11 -1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 2noc s ASP 86 CO -0.01 0.08 -0.15 0.27 -0.17 0.00 0.00 175.17 175.20 2noc s ILE 87 N 0.88 2.93 0.06 4.11 -4.36 -1.16 -0.58 121.20 123.09 2noc s ILE 87 Ca 0.01 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 2noc s ILE 87 Cb -0.14 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2noc s ILE 87 CO 0.02 -0.05 -0.13 -0.31 0.24 0.00 0.00 174.94 174.71 2noc s TYR 88 N -1.55 1.08 0.25 1.37 1.51 0.10 -3.13 117.35 116.99 2noc s TYR 88 Ca 0.22 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 2noc s TYR 88 Cb -0.09 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 2noc s TYR 88 CO 0.13 0.02 0.08 0.15 -1.11 0.00 0.00 175.55 174.82 2noc s LYS 89 N -1.65 2.56 0.81 -0.62 -0.14 0.11 0.10 119.74 120.90 2noc s LYS 89 Ca -0.04 -1.24 -0.12 0.00 -1.36 0.00 0.00 55.97 53.21 2noc s LYS 89 Cb -0.10 -2.34 0.08 0.00 -1.68 0.00 0.00 37.83 33.79 2noc s LYS 89 CO 0.02 0.39 1.15 0.15 -0.76 0.00 0.00 175.35 176.30 2noc s LYS 90 N -3.68 1.76 0.57 1.68 1.02 -1.26 0.11 119.74 119.95 2noc s LYS 90 Ca 0.32 1.53 0.04 0.00 0.02 0.00 0.00 55.97 57.88 2noc s LYS 90 Cb -0.07 -1.81 0.06 0.00 -0.52 0.00 0.00 37.83 35.49 2noc s LYS 90 CO 0.22 -2.07 0.79 0.15 -0.92 0.00 0.00 175.35 173.52 2noc s LYS 91 N -4.42 2.34 0.00 1.68 1.02 -0.90 -4.53 119.74 114.93 2noc s LYS 91 Ca 0.68 -1.12 0.25 0.00 0.02 0.00 0.00 55.97 55.81 2noc s LYS 91 Cb -0.24 -2.53 0.56 0.00 -0.52 0.00 0.00 37.83 35.10 2noc s LYS 91 CO 0.52 -0.83 1.45 1.47 -0.92 0.00 0.00 175.35 177.04 2noc n LEU 92 N -2.34 1.50 -4.63 3.17 -0.00 -1.26 -4.75 117.00 108.68 2noc n LEU 92 Ca 0.11 -0.48 -0.43 0.00 -0.00 0.00 0.00 56.01 55.21 2noc n LEU 92 Cb 0.60 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 2noc n LEU 92 CO 0.42 0.27 0.82 -0.70 -0.00 0.00 0.00 177.39 178.20 2noc s GLU 93 N -2.38 4.03 -0.23 1.47 2.56 -1.26 -4.99 118.70 117.90 2noc s GLU 93 Ca 0.25 0.90 -0.03 0.00 0.00 0.00 0.00 54.97 56.09 2noc s GLU 93 Cb 0.19 -3.73 0.10 0.00 2.00 0.00 0.00 34.13 32.70 2noc s GLU 93 CO 0.49 -0.81 0.23 -1.58 -0.56 0.00 0.00 175.26 173.03 2noc s HIS 94 N 3.37 -0.27 0.06 5.30 2.46 -1.26 -4.87 115.29 120.08 2noc s HIS 94 Ca 0.40 0.01 -0.35 0.00 0.47 0.00 0.00 55.06 55.60 2noc s HIS 94 Cb -0.13 -0.44 -0.14 0.00 -0.13 0.00 0.00 32.58 31.74 2noc s HIS 94 CO 0.14 -0.71 1.61 -2.39 -2.47 0.00 0.00 174.74 170.92 2noc n HIS 95 N 5.31 2.12 -2.28 3.88 1.44 -1.04 -4.97 115.22 119.67 2noc n HIS 95 Ca -0.05 0.30 -0.25 0.00 -2.01 0.00 0.00 57.72 55.72 2noc n HIS 95 Cb 0.48 -2.52 0.06 0.00 0.12 0.00 0.00 29.99 28.13 2noc n HIS 95 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2noc s HIS 96 N 1.68 2.94 -0.16 -1.40 3.76 -1.26 -4.76 115.29 116.08 2noc s HIS 96 Ca 0.84 0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 56.09 2noc s HIS 96 Cb -0.77 -3.09 0.02 0.00 1.11 0.00 0.00 32.58 29.86 2noc s HIS 96 CO 0.45 -1.28 0.11 1.58 -0.85 0.00 0.00 174.74 174.74 2noc n HIS 97 N -2.80 -2.91 0.27 1.40 -0.00 -1.26 -4.87 115.22 105.03 2noc n HIS 97 Ca 0.08 1.55 0.12 0.00 -0.00 0.00 0.00 57.72 59.47 2noc n HIS 97 Cb 0.60 -3.17 0.74 0.00 -0.00 0.00 0.00 29.99 28.16 2noc n HIS 97 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2noc h HIS 98 N 2.48 0.00 0.00 1.57 -0.00 -2.03 -3.55 115.15 113.63 2noc h HIS 98 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 2noc h HIS 98 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2noc h HIS 98 CO 0.00 0.10 0.00 0.72 -0.00 0.00 0.00 177.93 178.76