#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckv s SER 2 N 0.00 -0.47 0.09 7.83 0.15 -1.26 -5.05 113.70 114.98 1ckv s SER 2 Ca 0.00 0.83 -0.13 0.00 0.70 0.00 0.00 55.95 57.34 1ckv s SER 2 Cb 0.00 0.85 -0.19 0.00 -1.71 0.00 0.00 66.02 64.97 1ckv s SER 2 CO 0.00 -0.25 1.26 0.58 1.20 0.00 0.00 173.24 176.03 1ckv h VAL 3 N 4.17 1.28 -3.27 4.45 2.07 -2.13 -3.43 116.25 119.38 1ckv h VAL 3 Ca -0.28 -2.08 -0.61 0.00 0.82 0.00 0.00 66.70 64.55 1ckv h VAL 3 Cb 1.17 2.15 -0.14 0.00 -1.52 0.00 0.00 31.29 32.95 1ckv h VAL 3 CO 0.25 0.65 -0.53 0.20 0.02 0.00 0.00 177.57 178.16 1ckv s ASN 4 N -7.19 5.85 -0.97 0.57 0.01 -1.26 -5.02 114.94 106.94 1ckv s ASN 4 Ca -0.10 0.14 -0.01 0.00 -0.71 0.00 0.00 52.86 52.19 1ckv s ASN 4 Cb 0.08 -2.01 0.32 0.00 0.41 0.00 0.00 41.25 40.05 1ckv s ASN 4 CO 0.91 0.18 1.59 -0.24 -1.51 0.00 0.00 177.10 178.04 1ckv n SER 5 N 3.49 6.63 -4.68 -1.22 2.88 -1.26 -5.00 113.62 114.45 1ckv n SER 5 Ca -0.16 -3.62 -0.30 0.00 -1.33 0.00 0.00 58.87 53.46 1ckv n SER 5 Cb 0.52 -1.09 -0.08 0.00 -0.75 0.00 0.00 64.21 62.81 1ckv n SER 5 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ckv s ASN 6 N -1.77 4.99 0.06 -3.46 0.01 -1.26 -5.13 114.94 108.38 1ckv s ASN 6 Ca 0.38 -0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 1ckv s ASN 6 Cb 0.17 -1.18 -0.03 0.00 0.41 0.00 0.00 41.25 40.62 1ckv s ASN 6 CO -0.07 0.18 -0.05 0.00 -1.51 0.00 0.00 177.10 175.64 1ckv s ALA 7 N -1.31 0.59 -0.28 0.60 0.00 -1.26 -5.04 121.76 115.06 1ckv s ALA 7 Ca 0.25 -1.03 0.12 0.00 0.00 0.00 0.00 51.96 51.31 1ckv s ALA 7 Cb -0.12 0.16 0.75 0.00 0.00 0.00 0.00 23.12 23.91 1ckv s ALA 7 CO 0.18 -0.20 1.75 0.98 0.00 0.00 0.00 175.76 178.46 1ckv n TYR 8 N 0.67 2.16 0.33 0.00 4.19 -1.26 -4.55 117.16 118.71 1ckv n TYR 8 Ca -0.17 -1.03 0.15 0.00 3.31 0.00 0.00 57.90 60.16 1ckv n TYR 8 Cb 0.58 -0.59 0.82 0.00 0.49 0.00 0.00 39.34 40.64 1ckv n TYR 8 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 1ckv h ASP 9 N 2.98 0.00 1.29 2.98 3.04 -1.97 1.18 116.42 125.91 1ckv h ASP 9 Ca 0.15 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 1ckv h ASP 9 Cb 2.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.42 1ckv h ASP 9 CO 0.60 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.80 1ckv h ALA 10 N 1.34 1.00 0.00 4.15 0.00 -2.04 -3.33 119.26 120.38 1ckv h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckv h ALA 10 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ckv h ALA 10 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ckv n GLY 11 N 0.64 0.99 0.33 0.00 0.00 0.33 -4.77 105.19 102.72 1ckv n GLY 11 Ca 0.03 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.27 1ckv n GLY 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ckv h ILE 12 N 0.01 0.00 -0.14 -0.61 -0.00 0.57 0.51 117.51 117.85 1ckv h ILE 12 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 1ckv h ILE 12 Cb 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1ckv h ILE 12 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 178.15 178.38 1ckv n MET 13 N -3.04 1.35 0.04 0.16 0.00 -1.26 -1.03 117.12 113.33 1ckv n MET 13 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 57.70 57.13 1ckv n MET 13 Cb 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.13 1ckv n MET 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ckv n GLY 14 N 0.78 -0.08 0.00 3.03 0.00 0.14 -3.98 105.19 105.10 1ckv n GLY 14 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ckv n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 15 N -2.84 0.00 -0.95 0.99 4.32 0.68 -1.19 117.00 118.02 1ckv n LEU 15 Ca 0.00 0.50 0.08 0.00 -0.02 0.00 0.00 56.01 56.56 1ckv n LEU 15 Cb 0.06 0.00 0.22 0.00 -1.62 0.00 0.00 43.42 42.08 1ckv n LEU 15 CO 0.00 0.00 0.68 0.29 -1.22 0.00 0.00 177.39 177.14 1ckv n LYS 16 N -0.51 2.25 -0.01 3.23 4.01 -1.26 -3.87 118.16 122.01 1ckv n LYS 16 Ca 0.00 -1.80 0.03 0.00 -0.51 0.00 0.00 58.31 56.03 1ckv n LYS 16 Cb 0.00 -1.43 -0.06 0.00 -0.51 0.00 0.00 35.03 33.03 1ckv n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ckv n GLY 17 N 1.22 -0.33 2.70 0.72 0.00 -0.20 -4.82 105.19 104.47 1ckv n GLY 17 Ca 0.17 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ckv n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckv s LYS 18 N -2.47 1.81 0.00 1.61 2.47 -0.33 -4.70 119.74 118.14 1ckv s LYS 18 Ca -0.03 -2.81 0.00 0.00 -1.56 0.00 0.00 55.97 51.57 1ckv s LYS 18 Cb 0.04 -2.61 0.00 0.00 -1.46 0.00 0.00 37.83 33.80 1ckv s LYS 18 CO 0.30 -1.32 0.00 -3.47 0.16 0.00 0.00 175.35 171.02 1ckv n ASP 19 N 2.38 2.99 -3.39 1.43 -0.08 -1.26 -4.68 116.55 113.95 1ckv n ASP 19 Ca 0.23 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.30 1ckv n ASP 19 Cb 0.40 0.44 0.01 0.00 2.34 0.00 0.00 41.12 44.31 1ckv n ASP 19 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1ckv n PHE 20 N -1.17 -2.70 1.00 -0.67 -1.74 -1.26 -4.86 117.46 106.07 1ckv n PHE 20 Ca 0.00 1.09 0.14 0.00 -0.56 0.00 0.00 57.45 58.12 1ckv n PHE 20 Cb 0.16 -2.99 0.61 0.00 1.52 0.00 0.00 39.48 38.78 1ckv n PHE 20 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ckv n ALA 21 N -1.30 2.30 0.60 1.98 0.00 -1.26 -2.91 120.51 119.92 1ckv n ALA 21 Ca -0.11 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1ckv n ALA 21 Cb 0.61 -1.45 0.18 0.00 0.00 0.00 0.00 19.45 18.79 1ckv n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 22 N -1.48 2.38 -0.13 0.00 2.03 -1.26 -3.65 116.55 114.43 1ckv n ASP 22 Ca 0.07 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.31 1ckv n ASP 22 Cb 0.32 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ckv n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckv n GLN 23 N 0.63 0.19 -0.11 -0.67 6.02 -1.15 -4.87 117.38 117.42 1ckv n GLN 23 Ca 0.14 -0.72 -0.20 0.00 -0.01 0.00 0.00 57.00 56.21 1ckv n GLN 23 Cb 0.40 -0.55 -0.08 0.00 1.02 0.00 0.00 30.24 31.04 1ckv n GLN 23 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ckv n PHE 24 N -0.06 0.37 -4.06 1.08 3.01 -1.24 -4.89 117.46 111.67 1ckv n PHE 24 Ca 0.00 0.16 -0.32 0.00 1.01 0.00 0.00 57.45 58.30 1ckv n PHE 24 Cb 0.54 -0.88 -0.15 0.00 -0.01 0.00 0.00 39.48 38.98 1ckv n PHE 24 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1ckv s PHE 25 N -2.53 3.19 0.00 1.38 0.08 -1.26 -5.07 117.98 113.77 1ckv s PHE 25 Ca -0.31 -2.26 0.00 0.00 0.12 0.00 0.00 56.93 54.48 1ckv s PHE 25 Cb 0.09 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1ckv s PHE 25 CO 0.46 -0.87 0.00 0.00 -0.10 0.00 0.00 175.22 174.71 1ckv n ALA 26 N 4.45 0.00 -1.18 5.36 0.00 -1.26 -4.86 120.51 123.01 1ckv n ALA 26 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1ckv n ALA 26 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1ckv n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 27 N 0.00 -4.73 0.16 0.00 2.03 -1.26 -4.86 116.55 107.89 1ckv n ASP 27 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1ckv n ASP 27 Cb 0.00 -2.79 0.25 0.00 -0.72 0.00 0.00 41.12 37.87 1ckv n ASP 27 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ckv h GLU 28 N 0.19 0.00 -1.06 -0.67 5.08 -2.04 -3.41 114.58 112.68 1ckv h GLU 28 Ca -0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1ckv h GLU 28 Cb 0.73 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.77 1ckv h GLU 28 CO 0.19 0.51 -0.41 -0.80 -1.00 0.00 0.00 179.01 177.50 1ckv s ASN 29 N -6.86 -1.45 0.36 1.42 0.01 -1.26 -5.16 114.94 101.99 1ckv s ASN 29 Ca -0.02 -0.09 0.08 0.00 -0.71 0.00 0.00 52.86 52.12 1ckv s ASN 29 Cb 0.13 1.95 -0.04 0.00 0.41 0.00 0.00 41.25 43.70 1ckv s ASN 29 CO 0.74 -0.27 0.19 -1.10 -1.51 0.00 0.00 177.10 175.15 1ckv s GLN 30 N 2.57 2.41 0.10 -0.60 -0.21 -1.26 -5.14 119.66 117.53 1ckv s GLN 30 Ca 0.11 -1.56 0.02 0.00 0.02 0.00 0.00 55.36 53.95 1ckv s GLN 30 Cb -0.09 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1ckv s GLN 30 CO -0.22 0.04 0.17 0.54 -2.12 0.00 0.00 175.29 173.70 1ckv s VAL 31 N -2.44 4.94 -0.11 1.09 0.11 -1.26 -5.11 120.40 117.62 1ckv s VAL 31 Ca 0.40 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1ckv s VAL 31 Cb -0.02 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1ckv s VAL 31 CO 0.24 0.05 -0.05 0.54 -3.33 0.00 0.00 175.10 172.54 1ckv s VAL 32 N -1.56 3.79 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.15 1ckv s VAL 32 Ca 0.32 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 1ckv s VAL 32 Cb -0.12 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1ckv s VAL 32 CO 0.25 0.55 0.04 -1.00 -3.33 0.00 0.00 175.10 171.61 1ckv s HIS 33 N -0.23 3.12 -0.29 1.54 3.76 -1.26 -4.81 115.29 117.12 1ckv s HIS 33 Ca 0.04 -1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 53.79 1ckv s HIS 33 Cb -0.13 -2.20 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1ckv s HIS 33 CO 0.02 -0.61 0.25 0.39 -0.85 0.00 0.00 174.74 173.94 1ckv n GLU 34 N 4.81 -0.66 -3.05 1.40 1.02 -1.26 -4.86 120.64 118.04 1ckv n GLU 34 Ca -0.15 0.37 -0.40 0.00 -0.02 0.00 0.00 57.16 56.96 1ckv n GLU 34 Cb 0.48 -0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 30.99 1ckv n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ckv s SER 35 N -1.93 6.94 0.00 1.62 0.15 -1.26 -4.89 113.70 114.33 1ckv s SER 35 Ca 0.04 1.14 0.02 0.00 0.70 0.00 0.00 55.95 57.85 1ckv s SER 35 Cb -0.00 -2.40 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1ckv s SER 35 CO 0.36 -0.14 0.91 0.47 1.20 0.00 0.00 173.24 176.04 1ckv n ASP 36 N 3.98 -0.65 -4.85 5.45 9.92 -1.26 -5.06 116.55 124.07 1ckv n ASP 36 Ca -0.01 -1.80 -0.33 0.00 -0.53 0.00 0.00 54.79 52.11 1ckv n ASP 36 Cb 0.51 0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 41.13 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ckv s THR 37 N 0.00 4.80 -0.55 -3.53 2.01 -1.26 -4.31 115.64 112.80 1ckv s THR 37 Ca 0.02 0.78 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 1ckv s THR 37 Cb 0.03 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.94 1ckv s THR 37 CO -0.01 -0.01 0.72 -0.69 -0.69 0.00 0.00 174.62 173.93 1ckv s VAL 38 N -1.77 4.75 0.10 3.82 1.01 0.11 -4.84 120.40 123.58 1ckv s VAL 38 Ca 0.47 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.94 1ckv s VAL 38 Cb -0.12 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1ckv s VAL 38 CO 0.20 -1.01 -0.07 -0.69 0.00 0.00 0.00 175.10 173.52 1ckv s VAL 39 N 2.93 3.55 -0.28 2.92 1.01 -0.94 0.13 120.40 129.73 1ckv s VAL 39 Ca 0.16 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1ckv s VAL 39 Cb -0.20 -2.67 0.17 0.00 0.00 0.00 0.00 36.38 33.68 1ckv s VAL 39 CO 0.10 0.12 0.48 -0.76 0.00 0.00 0.00 175.10 175.04 1ckv s LEU 40 N -2.21 -1.03 -0.15 3.92 1.02 -0.46 0.24 118.68 120.01 1ckv s LEU 40 Ca 0.22 0.18 -0.01 0.00 0.02 0.00 0.00 54.13 54.54 1ckv s LEU 40 Cb -0.11 1.51 -0.01 0.00 0.02 0.00 0.00 46.19 47.60 1ckv s LEU 40 CO 0.15 -0.31 -0.10 0.68 0.02 0.00 0.00 176.35 176.79 1ckv s VAL 41 N 2.67 3.19 0.06 -1.59 -7.23 -0.56 -2.69 120.40 114.24 1ckv s VAL 41 Ca 0.13 -0.60 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1ckv s VAL 41 Cb -0.13 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1ckv s VAL 41 CO -0.23 0.50 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.14 1ckv s LEU 42 N 0.62 2.21 0.14 1.32 1.02 -1.25 -2.64 118.68 120.09 1ckv s LEU 42 Ca -0.06 -0.54 -0.35 0.00 0.02 0.00 0.00 54.13 53.21 1ckv s LEU 42 Cb -0.15 -0.69 -0.16 0.00 0.02 0.00 0.00 46.19 45.21 1ckv s LEU 42 CO 0.03 0.03 1.27 1.17 0.02 0.00 0.00 176.35 178.87 1ckv n LYS 43 N 1.63 1.23 -2.02 1.70 4.81 -1.26 -3.67 118.16 120.58 1ckv n LYS 43 Ca -0.19 0.44 -0.26 0.00 -0.87 0.00 0.00 58.31 57.44 1ckv n LYS 43 Cb 0.54 -2.02 -0.05 0.00 0.02 0.00 0.00 35.03 33.52 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ckv s LYS 44 N 0.06 2.49 0.36 1.64 2.36 -1.26 -4.56 119.74 120.83 1ckv s LYS 44 Ca 0.78 -0.24 0.04 0.00 -2.55 0.00 0.00 55.97 54.00 1ckv s LYS 44 Cb -0.88 -5.05 -0.06 0.00 -1.05 0.00 0.00 37.83 30.79 1ckv s LYS 44 CO 0.49 -3.45 0.05 0.45 1.55 0.00 0.00 175.35 174.44 1ckv s SER 45 N 8.21 2.79 0.28 1.43 0.15 -1.26 -4.95 113.70 120.36 1ckv s SER 45 Ca 0.72 -1.41 0.11 0.00 0.70 0.00 0.00 55.95 56.07 1ckv s SER 45 Cb -0.07 -0.09 0.60 0.00 -1.71 0.00 0.00 66.02 64.76 1ckv s SER 45 CO -0.00 -0.60 1.22 0.47 1.20 0.00 0.00 173.24 175.52 1ckv n ASP 46 N -0.81 0.29 0.00 5.45 8.00 -1.26 -1.46 116.55 126.75 1ckv n ASP 46 Ca -0.04 0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1ckv n ASP 46 Cb 0.67 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1ckv n ASP 46 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ckv n GLU 47 N -1.95 0.00 -0.23 -1.24 2.13 -1.26 -2.62 120.64 115.47 1ckv n GLU 47 Ca -0.01 0.45 -0.04 0.00 0.66 0.00 0.00 57.16 58.22 1ckv n GLU 47 Cb 0.31 -1.28 0.06 0.00 0.27 0.00 0.00 31.44 30.80 1ckv n GLU 47 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1ckv h ILE 48 N 0.00 1.12 -0.98 6.31 5.03 -1.62 -1.03 117.51 126.33 1ckv h ILE 48 Ca 0.00 -0.29 0.10 0.00 -0.12 0.00 0.00 64.86 64.55 1ckv h ILE 48 Cb 0.00 0.21 -0.12 0.00 -3.03 0.00 0.00 36.82 33.88 1ckv h ILE 48 CO 0.00 0.15 -0.55 0.59 -0.68 0.00 0.00 178.15 177.67 1ckv n ASN 49 N -4.67 -0.97 -0.01 1.72 3.02 -0.54 0.54 115.26 114.34 1ckv n ASN 49 Ca 0.06 1.74 -0.01 0.00 -0.03 0.00 0.00 54.58 56.34 1ckv n ASN 49 Cb 0.06 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1ckv n ASN 49 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ckv h THR 50 N 0.00 0.00 -0.86 3.41 2.02 -1.34 -3.02 112.91 113.12 1ckv h THR 50 Ca 0.19 -0.75 0.21 0.00 0.77 0.00 0.00 66.41 66.82 1ckv h THR 50 Cb 0.43 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.69 1ckv h THR 50 CO -0.93 0.00 0.01 0.15 0.37 0.00 0.00 175.52 175.12 1ckv h PHE 51 N -0.81 -0.06 -0.26 3.16 3.57 -1.12 0.30 116.94 121.72 1ckv h PHE 51 Ca -0.01 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ckv h PHE 51 Cb 0.05 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ckv h PHE 51 CO 0.00 -0.31 0.15 0.97 -2.23 0.00 0.00 178.31 176.89 1ckv h ILE 52 N 0.07 1.12 -0.89 1.41 6.09 -0.07 0.73 117.51 125.98 1ckv h ILE 52 Ca 0.49 -0.32 0.12 0.00 -1.37 0.00 0.00 64.86 63.78 1ckv h ILE 52 Cb 0.91 0.85 -0.08 0.00 0.47 0.00 0.00 36.82 38.97 1ckv h ILE 52 CO -0.77 0.12 0.51 1.05 -3.07 0.00 0.00 178.15 175.98 1ckv h GLU 53 N 0.31 0.76 0.00 2.19 4.11 -0.35 -1.60 114.58 120.01 1ckv h GLU 53 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1ckv h GLU 53 Cb 0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ckv h GLU 53 CO -0.02 0.50 -0.02 0.93 0.07 0.00 0.00 179.01 180.48 1ckv h GLU 54 N 0.79 0.00 -0.86 1.06 3.07 -0.62 -2.91 114.58 115.10 1ckv h GLU 54 Ca 0.45 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.40 1ckv h GLU 54 Cb 0.52 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.32 1ckv h GLU 54 CO -0.30 0.00 -0.48 1.51 -1.40 0.00 0.00 179.01 178.35 1ckv n ILE 55 N -2.89 -0.56 0.06 3.13 0.00 0.25 0.17 119.36 119.52 1ckv n ILE 55 Ca -0.00 2.07 -0.13 0.00 0.00 0.00 0.00 62.75 64.69 1ckv n ILE 55 Cb 0.01 -2.60 -0.03 0.00 0.00 0.00 0.00 39.64 37.02 1ckv n ILE 55 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ckv h LEU 56 N 0.00 0.55 0.07 9.51 4.07 -1.47 -3.01 115.31 125.03 1ckv h LEU 56 Ca 0.17 -0.42 -0.14 0.00 0.08 0.00 0.00 57.88 57.58 1ckv h LEU 56 Cb 0.39 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1ckv h LEU 56 CO -0.82 1.20 -0.67 -0.07 -1.08 0.00 0.00 178.44 177.00 1ckv h LEU 57 N 0.26 0.25 0.00 1.67 -0.00 -1.10 -1.21 115.31 115.19 1ckv h LEU 57 Ca -0.07 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.90 1ckv h LEU 57 Cb 1.50 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1ckv h LEU 57 CO 0.15 1.30 0.00 0.35 -0.00 0.00 0.00 178.44 180.24 1ckv n THR 58 N -4.29 0.00 -0.04 0.22 -2.24 0.45 -2.34 114.28 106.05 1ckv n THR 58 Ca -0.16 1.49 -0.12 0.00 -2.27 0.00 0.00 64.05 62.99 1ckv n THR 58 Cb 0.70 -2.30 -0.14 0.00 -2.10 0.00 0.00 70.33 66.49 1ckv n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ckv n ASP 59 N -2.36 1.01 -0.01 3.42 9.92 -1.15 -2.79 116.55 124.59 1ckv n ASP 59 Ca 0.00 0.26 0.15 0.00 -0.53 0.00 0.00 54.79 54.67 1ckv n ASP 59 Cb 0.00 -0.03 0.73 0.00 -0.64 0.00 0.00 41.12 41.18 1ckv n ASP 59 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ckv n TYR 60 N -3.08 0.00 -0.04 1.24 4.01 -0.56 -3.25 117.16 115.47 1ckv n TYR 60 Ca -0.25 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.43 1ckv n TYR 60 Cb 1.07 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 39.77 1ckv n TYR 60 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ckv n LYS 61 N -1.28 0.19 0.04 -0.72 3.00 -0.58 -3.91 118.16 114.91 1ckv n LYS 61 Ca 0.14 0.05 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 1ckv n LYS 61 Cb 0.25 -1.11 -0.05 0.00 0.00 0.00 0.00 35.03 34.12 1ckv n LYS 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ckv h LYS 62 N -0.04 -0.14 0.00 1.64 3.64 -1.42 -3.44 116.57 116.82 1ckv h LYS 62 Ca -0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1ckv h LYS 62 Cb 1.26 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1ckv h LYS 62 CO -0.04 -0.09 0.00 0.27 -2.27 0.00 0.00 179.45 177.32 1ckv n ASN 63 N -5.21 0.00 0.11 4.20 2.04 -1.21 -5.05 115.26 110.14 1ckv n ASN 63 Ca -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.09 1ckv n ASN 63 Cb 0.14 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.39 1ckv n ASN 63 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1ckv n VAL 64 N 0.00 0.00 0.00 3.53 0.31 -1.20 -4.91 118.33 116.06 1ckv n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ckv n VAL 64 Cb 0.00 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1ckv n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ckv n ASN 65 N -2.96 0.00 0.10 4.52 3.02 -1.25 -5.03 115.26 113.66 1ckv n ASN 65 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1ckv n ASN 65 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1ckv n ASN 65 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ckv h PRO 66 N 0.00 0.00 -0.14 3.52 0.13 -1.98 -3.40 132.00 130.13 1ckv h PRO 66 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1ckv h PRO 66 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1ckv h PRO 66 CO 0.00 0.04 -0.25 0.00 -0.23 0.00 0.00 178.00 177.56 1ckv h THR 67 N 0.00 0.00 -0.03 1.56 1.03 -1.92 -3.36 112.91 110.18 1ckv h THR 67 Ca -0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.14 1ckv h THR 67 Cb 1.07 0.00 -0.08 0.00 -1.07 0.00 0.00 68.15 68.07 1ckv h THR 67 CO 0.01 0.00 1.59 0.55 -0.01 0.00 0.00 175.52 177.66 1ckv n VAL 68 N -3.88 0.00 -4.86 0.00 3.14 -1.26 -4.60 118.33 106.87 1ckv n VAL 68 Ca -0.02 -0.49 -0.32 0.00 -2.96 0.00 0.00 64.34 60.56 1ckv n VAL 68 Cb 0.16 -0.21 -0.13 0.00 -1.06 0.00 0.00 33.84 32.60 1ckv n VAL 68 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ckv s ASN 69 N 1.08 3.76 0.12 6.55 2.20 0.10 -4.96 114.94 123.79 1ckv s ASN 69 Ca 0.98 -0.35 -0.04 0.00 -0.94 0.00 0.00 52.86 52.52 1ckv s ASN 69 Cb -0.58 -0.65 -0.05 0.00 -2.00 0.00 0.00 41.25 37.96 1ckv s ASN 69 CO 0.39 0.30 0.33 0.54 -2.94 0.00 0.00 177.10 175.72 1ckv s VAL 70 N -0.80 5.23 -0.13 3.54 0.11 -1.26 -0.76 120.40 126.33 1ckv s VAL 70 Ca 0.13 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1ckv s VAL 70 Cb -0.10 -3.62 0.06 0.00 -1.53 0.00 0.00 36.38 31.18 1ckv s VAL 70 CO 0.02 0.08 0.17 -1.61 -3.33 0.00 0.00 175.10 170.43 1ckv s GLU 71 N -2.57 0.08 -0.36 1.54 2.02 0.41 -4.94 118.70 114.87 1ckv s GLU 71 Ca 0.39 0.38 -0.20 0.00 0.02 0.00 0.00 54.97 55.56 1ckv s GLU 71 Cb -0.12 -0.73 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1ckv s GLU 71 CO 0.25 -0.45 0.62 0.34 0.02 0.00 0.00 175.26 176.04 1ckv s ASP 72 N 2.28 6.40 0.00 -0.19 -1.08 -1.26 0.12 116.67 122.94 1ckv s ASP 72 Ca 0.04 0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.15 1ckv s ASP 72 Cb -0.14 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1ckv s ASP 72 CO -0.08 -0.59 0.00 0.54 0.52 0.00 0.00 175.17 175.56 1ckv n ARG 73 N 6.01 0.00 0.00 4.34 5.12 -1.25 -4.99 116.66 125.89 1ckv n ARG 73 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1ckv n ARG 73 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckv n ALA 74 N -1.61 0.00 0.00 7.54 0.00 -1.26 -4.99 120.51 120.19 1ckv n ALA 74 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ckv n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ckv n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckv n GLY 75 N 1.96 0.00 3.90 0.00 0.00 -1.26 -5.10 105.19 104.69 1ckv n GLY 75 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ckv n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckv s TYR 76 N -1.53 3.31 0.03 1.61 2.02 -1.26 -4.36 117.35 117.17 1ckv s TYR 76 Ca 0.00 0.86 -0.21 0.00 -0.37 0.00 0.00 57.07 57.35 1ckv s TYR 76 Cb 0.00 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.64 1ckv s TYR 76 CO 0.00 -0.95 0.61 -1.58 -1.57 0.00 0.00 175.55 172.06 1ckv s TRP 77 N -3.15 3.73 -0.42 2.71 0.52 -1.24 -3.85 118.94 117.24 1ckv s TRP 77 Ca 0.56 1.26 -0.12 0.00 0.02 0.00 0.00 56.10 57.82 1ckv s TRP 77 Cb -0.11 -2.61 0.06 0.00 -1.15 0.00 0.00 33.47 29.66 1ckv s TRP 77 CO 0.48 0.41 0.28 -1.58 0.02 0.00 0.00 176.95 176.56 1ckv s TRP 78 N -0.43 3.28 -0.25 -1.98 0.52 0.33 -3.97 118.94 116.44 1ckv s TRP 78 Ca 0.31 -1.13 -0.14 0.00 0.02 0.00 0.00 56.10 55.16 1ckv s TRP 78 Cb -0.19 -2.80 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 1ckv s TRP 78 CO 0.18 -0.75 0.33 0.42 0.02 0.00 0.00 176.95 177.15 1ckv s ILE 79 N 1.54 5.22 -0.04 2.03 1.09 -1.10 0.15 121.20 130.10 1ckv s ILE 79 Ca 0.03 0.50 0.04 0.00 -1.10 0.00 0.00 60.65 60.12 1ckv s ILE 79 Cb -0.22 -3.66 -0.00 0.00 -1.06 0.00 0.00 42.46 37.52 1ckv s ILE 79 CO 0.05 0.21 -0.16 -0.54 -0.10 0.00 0.00 174.94 174.40 1ckv s LYS 80 N 1.75 1.63 0.06 2.79 1.02 0.06 -1.35 119.74 125.70 1ckv s LYS 80 Ca 0.14 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 1ckv s LYS 80 Cb -0.15 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 1ckv s LYS 80 CO 0.09 0.26 0.08 0.00 -0.92 0.00 0.00 175.35 174.86 1ckv s ALA 81 N -0.04 0.09 -0.07 5.17 0.00 0.12 -0.72 121.76 126.32 1ckv s ALA 81 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1ckv s ALA 81 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1ckv s ALA 81 CO 0.01 -0.41 -0.09 0.54 0.00 0.00 0.00 175.76 175.82 1ckv s ASN 82 N -2.69 4.46 0.00 0.00 4.22 -1.26 0.04 114.94 119.71 1ckv s ASN 82 Ca 0.03 -0.09 0.00 0.00 -2.14 0.00 0.00 52.86 50.67 1ckv s ASN 82 Cb 0.04 -1.12 0.00 0.00 1.28 0.00 0.00 41.25 41.45 1ckv s ASN 82 CO -0.09 0.34 0.00 0.61 -2.04 0.00 0.00 177.10 175.92 1ckv n GLY 83 N 2.35 2.17 3.64 0.45 0.00 -1.26 -4.79 105.19 107.75 1ckv n GLY 83 Ca -0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1ckv n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckv s LYS 84 N 0.00 0.06 0.02 1.61 0.00 -1.26 -3.63 119.74 116.54 1ckv s LYS 84 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 55.97 55.86 1ckv s LYS 84 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 37.83 37.86 1ckv s LYS 84 CO 0.00 -0.02 0.18 -1.50 0.00 0.00 0.00 175.35 174.00 1ckv s ILE 85 N -1.91 0.09 -0.06 3.79 2.07 -0.39 -4.99 121.20 119.80 1ckv s ILE 85 Ca 0.11 -0.78 -0.01 0.00 -1.41 0.00 0.00 60.65 58.57 1ckv s ILE 85 Cb -0.01 -0.68 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1ckv s ILE 85 CO -0.03 -0.43 -0.01 -1.83 -1.91 0.00 0.00 174.94 170.73 1ckv s GLU 86 N -1.93 0.64 -0.06 3.50 1.03 -1.26 0.75 118.70 121.36 1ckv s GLU 86 Ca -0.10 0.05 -0.14 0.00 0.03 0.00 0.00 54.97 54.81 1ckv s GLU 86 Cb -0.04 -0.90 -0.05 0.00 -0.80 0.00 0.00 34.13 32.33 1ckv s GLU 86 CO -0.01 -0.24 0.36 0.08 -1.33 0.00 0.00 175.26 174.12 1ckv s VAL 87 N 1.65 5.17 0.51 1.83 1.01 0.21 -4.89 120.40 125.88 1ckv s VAL 87 Ca 0.00 0.71 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1ckv s VAL 87 Cb -0.13 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1ckv s VAL 87 CO -0.04 0.51 1.02 -0.62 0.00 0.00 0.00 175.10 175.97 1ckv s ASP 88 N -0.54 6.37 -0.43 3.32 -1.08 -1.26 -0.01 116.67 123.04 1ckv s ASP 88 Ca 0.21 1.79 -0.06 0.00 -0.52 0.00 0.00 52.55 53.96 1ckv s ASP 88 Cb -0.15 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.88 1ckv s ASP 88 CO 0.10 -0.76 0.26 0.00 0.52 0.00 0.00 175.17 175.29 1ckv n ASP 90 N 4.77 0.00 0.00 0.00 9.92 -1.26 -4.61 116.55 125.37 1ckv n ASP 90 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1ckv n ASP 90 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ckv n GLU 91 N 0.00 0.00 0.28 -1.24 1.02 -1.26 -2.15 120.64 117.29 1ckv n GLU 91 Ca 0.00 0.40 -0.17 0.00 -0.02 0.00 0.00 57.16 57.38 1ckv n GLU 91 Cb 0.00 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 1ckv n GLU 91 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1ckv h ILE 92 N 0.00 0.30 -1.18 -3.67 2.10 -1.85 -2.19 117.51 111.02 1ckv h ILE 92 Ca 0.00 0.00 0.35 0.00 1.08 0.00 0.00 64.86 66.29 1ckv h ILE 92 Cb 0.00 0.30 -0.11 0.00 -1.09 0.00 0.00 36.82 35.92 1ckv h ILE 92 CO 0.00 0.00 0.76 -1.28 -1.08 0.00 0.00 178.15 176.55 1ckv h SER 93 N -0.81 0.33 -0.30 2.19 0.87 -1.89 1.63 113.55 115.57 1ckv h SER 93 Ca -0.05 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ckv h SER 93 Cb 0.68 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1ckv h SER 93 CO 0.02 -0.05 0.18 -0.33 -0.53 0.00 0.00 176.83 176.13 1ckv h GLU 94 N 0.23 0.41 0.00 2.24 4.39 -0.87 0.32 114.58 121.29 1ckv h GLU 94 Ca 0.70 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1ckv h GLU 94 Cb 2.05 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1ckv h GLU 94 CO -0.35 0.32 -0.72 -0.11 -1.16 0.00 0.00 179.01 176.99 1ckv n LEU 95 N -4.84 0.67 -1.18 1.33 -0.00 0.10 -2.21 117.00 110.87 1ckv n LEU 95 Ca -0.01 0.16 0.10 0.00 -0.00 0.00 0.00 56.01 56.25 1ckv n LEU 95 Cb 0.05 -0.16 0.28 0.00 -0.00 0.00 0.00 43.42 43.59 1ckv n LEU 95 CO 0.35 -0.02 0.74 0.18 -0.00 0.00 0.00 177.39 178.63 1ckv n LEU 96 N -2.05 3.75 0.00 -1.96 7.99 0.52 -4.84 117.00 120.41 1ckv n LEU 96 Ca 0.03 -2.05 0.00 0.00 -0.01 0.00 0.00 56.01 53.98 1ckv n LEU 96 Cb 0.44 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1ckv n LEU 96 CO 0.37 0.90 0.00 0.61 -1.51 0.00 0.00 177.39 177.76 1ckv n GLY 97 N 1.27 -0.16 2.15 -0.72 0.00 0.10 -4.89 105.19 102.95 1ckv n GLY 97 Ca 0.21 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1ckv n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ckv n ARG 98 N 0.00 0.00 -1.22 1.61 0.00 -0.71 0.26 116.66 116.60 1ckv n ARG 98 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1ckv n ARG 98 Cb 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 32.46 31.65 1ckv n ARG 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ckv n GLN 99 N 0.78 -0.78 -0.18 -0.14 6.02 -1.26 -5.00 117.38 116.82 1ckv n GLN 99 Ca 0.12 0.70 -0.05 0.00 -0.01 0.00 0.00 57.00 57.75 1ckv n GLN 99 Cb 0.10 -4.58 0.04 0.00 1.02 0.00 0.00 30.24 26.83 1ckv n GLN 99 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ckv n PHE 100 N -2.65 -3.16 -4.14 1.08 3.01 0.14 -5.09 117.46 106.65 1ckv n PHE 100 Ca -0.07 -0.16 -0.15 0.00 1.01 0.00 0.00 57.45 58.07 1ckv n PHE 100 Cb 0.31 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.48 1ckv n PHE 100 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ckv s ASN 101 N -1.99 1.36 0.95 4.37 4.22 -1.26 -5.07 114.94 117.52 1ckv s ASN 101 Ca 0.12 -0.66 -0.11 0.00 -2.14 0.00 0.00 52.86 50.07 1ckv s ASN 101 Cb -0.01 -0.01 0.13 0.00 1.28 0.00 0.00 41.25 42.64 1ckv s ASN 101 CO 0.09 -0.17 0.92 0.55 -2.04 0.00 0.00 177.10 176.45 1ckv n VAL 102 N 1.11 0.00 -1.00 3.54 3.14 -1.26 -3.26 118.33 120.59 1ckv n VAL 102 Ca -0.20 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1ckv n VAL 102 Cb 0.55 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 1ckv n VAL 102 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckv n TYR 103 N -4.13 0.00 0.03 1.45 9.36 -1.26 -4.89 117.16 117.72 1ckv n TYR 103 Ca 0.10 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.36 1ckv n TYR 103 Cb 0.53 -0.03 -0.08 0.00 -0.63 0.00 0.00 39.34 39.13 1ckv n TYR 103 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ckv n ASP 104 N -0.01 0.61 0.12 2.98 2.03 -1.20 -3.33 116.55 117.74 1ckv n ASP 104 Ca 0.00 0.26 -0.21 0.00 0.52 0.00 0.00 54.79 55.36 1ckv n ASP 104 Cb 0.01 0.68 -0.14 0.00 -0.72 0.00 0.00 41.12 40.94 1ckv n ASP 104 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1ckv h PHE 105 N 0.00 0.79 -0.70 -0.67 -0.00 -1.90 -3.31 116.94 111.16 1ckv h PHE 105 Ca -0.12 -0.56 -0.36 0.00 -0.00 0.00 0.00 57.97 56.93 1ckv h PHE 105 Cb 1.36 -0.04 -0.21 0.00 -0.00 0.00 0.00 35.95 37.06 1ckv h PHE 105 CO 0.00 1.43 0.31 -0.11 -0.00 0.00 0.00 178.31 179.95 1ckv n LEU 106 N -3.66 5.55 0.04 2.10 0.00 -1.26 -4.53 117.00 115.24 1ckv n LEU 106 Ca -0.13 -3.67 -0.20 0.00 0.00 0.00 0.00 56.01 52.00 1ckv n LEU 106 Cb 1.05 -0.75 -0.14 0.00 0.00 0.00 0.00 43.42 43.58 1ckv n LEU 106 CO 0.58 1.14 -0.07 1.62 0.00 0.00 0.00 177.39 180.65 1ckv h VAL 107 N 1.06 1.39 -0.00 1.96 3.04 -1.64 -3.47 116.25 118.60 1ckv h VAL 107 Ca 0.44 -2.50 0.16 0.00 -1.01 0.00 0.00 66.70 63.79 1ckv h VAL 107 Cb 2.32 3.07 -0.17 0.00 -2.01 0.00 0.00 31.29 34.50 1ckv h VAL 107 CO 0.77 0.71 -0.02 -1.81 -1.01 0.00 0.00 177.57 176.21 1ckv s ASP 108 N -6.98 -0.00 -0.41 3.17 1.01 -1.26 -5.11 116.67 107.09 1ckv s ASP 108 Ca -0.15 -0.00 0.04 0.00 0.71 0.00 0.00 52.55 53.14 1ckv s ASP 108 Cb 0.02 0.00 0.17 0.00 1.01 0.00 0.00 42.92 44.12 1ckv s ASP 108 CO 0.81 -0.00 0.36 0.68 0.21 0.00 0.00 175.17 177.23 1ckv s VAL 109 N 1.84 0.19 0.00 -1.27 -7.23 -1.26 -4.99 120.40 107.68 1ckv s VAL 109 Ca 0.15 -2.37 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 1ckv s VAL 109 Cb 0.07 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.89 1ckv s VAL 109 CO -0.16 -1.10 0.00 -0.24 -0.31 0.00 0.00 175.10 173.29 1ckv n SER 110 N 3.02 0.00 0.00 4.85 2.88 -1.26 -4.05 113.62 119.06 1ckv n SER 110 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1ckv n SER 110 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1ckv n SER 110 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ckv n SER 111 N 1.79 0.00 -3.12 -3.46 7.64 -1.08 -5.06 113.62 110.32 1ckv n SER 111 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1ckv n SER 111 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ckv n SER 111 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ckv s THR 112 N -2.00 -0.80 -0.11 0.44 -4.23 -1.26 -1.50 115.64 106.18 1ckv s THR 112 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.22 1ckv s THR 112 Cb 0.00 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 1ckv s THR 112 CO 0.00 0.00 1.45 -0.63 -0.54 0.00 0.00 174.62 174.90 1ckv s ILE 113 N 2.35 3.95 0.00 2.99 -1.09 0.14 -4.86 121.20 124.69 1ckv s ILE 113 Ca 0.15 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1ckv s ILE 113 Cb -0.05 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1ckv s ILE 113 CO -0.17 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.05 1ckv n GLY 114 N 3.86 4.79 3.66 6.18 0.00 -1.26 -2.21 105.19 120.21 1ckv n GLY 114 Ca 0.15 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1ckv n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ckv s ARG 115 N -4.72 4.22 -0.22 1.61 0.52 0.52 -4.71 118.95 116.16 1ckv s ARG 115 Ca 0.00 1.49 -0.09 0.00 -0.52 0.00 0.00 55.73 56.61 1ckv s ARG 115 Cb 0.00 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1ckv s ARG 115 CO 0.00 -0.71 0.11 0.00 0.02 0.00 0.00 175.30 174.72 1ckv s ALA 116 N 3.43 3.44 -0.11 2.13 0.00 -1.26 0.36 121.76 129.75 1ckv s ALA 116 Ca 0.50 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1ckv s ALA 116 Cb -0.18 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.82 1ckv s ALA 116 CO 0.12 -0.14 -0.09 1.52 0.00 0.00 0.00 175.76 177.17 1ckv s TYR 117 N 0.97 1.55 0.20 0.00 -0.85 -0.47 -4.99 117.35 113.76 1ckv s TYR 117 Ca 0.06 -0.77 -0.02 0.00 -0.52 0.00 0.00 57.07 55.82 1ckv s TYR 117 Cb -0.14 -1.25 -0.05 0.00 0.38 0.00 0.00 41.96 40.91 1ckv s TYR 117 CO 0.03 -0.50 0.41 -0.08 -1.52 0.00 0.00 175.55 173.89 1ckv s THR 118 N 1.56 5.17 -0.29 -3.49 -1.32 -1.26 -1.90 115.64 114.11 1ckv s THR 118 Ca 0.03 -0.22 -0.13 0.00 -1.21 0.00 0.00 61.69 60.15 1ckv s THR 118 Cb -0.13 -3.71 0.13 0.00 -1.51 0.00 0.00 72.50 67.28 1ckv s THR 118 CO -0.07 -0.15 0.78 -1.48 -2.21 0.00 0.00 174.62 171.50 1ckv s LEU 119 N -3.21 -0.88 0.00 9.08 -0.00 -1.26 -5.01 118.68 117.40 1ckv s LEU 119 Ca 0.40 1.28 0.00 0.00 -0.00 0.00 0.00 54.13 55.81 1ckv s LEU 119 Cb -0.11 2.10 0.00 0.00 -0.00 0.00 0.00 46.19 48.18 1ckv s LEU 119 CO 0.28 -0.19 0.00 0.61 -0.00 0.00 0.00 176.35 177.06 1ckv n GLY 120 N 4.84 1.33 2.46 -3.48 0.00 -1.26 -3.53 105.19 105.55 1ckv n GLY 120 Ca -0.14 0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1ckv n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ckv s ASN 121 N -4.00 2.22 0.00 1.61 2.47 -1.26 -5.00 114.94 110.98 1ckv s ASN 121 Ca 0.00 -2.79 0.00 0.00 0.42 0.00 0.00 52.86 50.49 1ckv s ASN 121 Cb 0.00 -0.51 0.00 0.00 -1.45 0.00 0.00 41.25 39.29 1ckv s ASN 121 CO 0.00 -0.22 0.00 0.29 -3.72 0.00 0.00 177.10 173.45 1ckv n LYS 122 N 3.24 0.00 -3.22 0.43 5.02 -1.23 -4.26 118.16 118.15 1ckv n LYS 122 Ca 0.22 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.12 1ckv n LYS 122 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.38 1ckv n LYS 122 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ckv s PHE 123 N 0.00 3.75 -0.15 2.13 -0.71 0.98 -4.05 117.98 119.92 1ckv s PHE 123 Ca 0.00 1.25 -0.03 0.00 -1.04 0.00 0.00 56.93 57.12 1ckv s PHE 123 Cb 0.00 -2.57 -0.02 0.00 -1.21 0.00 0.00 43.02 39.22 1ckv s PHE 123 CO 0.00 0.46 -0.06 0.99 -1.34 0.00 0.00 175.22 175.26 1ckv s THR 124 N -0.62 3.63 -0.25 -4.49 2.01 -0.80 0.64 115.64 115.77 1ckv s THR 124 Ca 0.30 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1ckv s THR 124 Cb -0.19 -2.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 1ckv s THR 124 CO 0.18 0.50 0.01 -0.63 -0.69 0.00 0.00 174.62 173.99 1ckv s ILE 125 N 0.42 3.66 0.24 1.82 1.09 0.23 -1.37 121.20 127.28 1ckv s ILE 125 Ca -0.06 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1ckv s ILE 125 Cb -0.15 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 1ckv s ILE 125 CO 0.03 0.28 0.43 0.28 -0.10 0.00 0.00 174.94 175.87 1ckv s THR 126 N 1.49 5.18 -0.00 2.92 -1.32 0.16 -1.26 115.64 122.81 1ckv s THR 126 Ca 0.04 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1ckv s THR 126 Cb -0.15 -3.78 0.01 0.00 -1.51 0.00 0.00 72.50 67.06 1ckv s THR 126 CO -0.01 -0.28 0.85 -0.24 -2.21 0.00 0.00 174.62 172.73 1ckv n SER 127 N -1.02 0.06 -4.58 8.08 2.88 -1.24 0.20 113.62 118.00 1ckv n SER 127 Ca -0.05 -1.72 -0.27 0.00 -1.33 0.00 0.00 58.87 55.50 1ckv n SER 127 Cb 0.55 -0.14 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 1ckv n SER 127 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ckv s GLU 128 N -0.06 1.88 -0.04 -1.46 2.02 -1.25 -4.38 118.70 115.42 1ckv s GLU 128 Ca 0.01 -2.03 -0.03 0.00 0.02 0.00 0.00 54.97 52.93 1ckv s GLU 128 Cb 0.01 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.62 1ckv s GLU 128 CO 0.00 0.02 0.07 1.28 0.02 0.00 0.00 175.26 176.65 1ckv n LEU 129 N -0.88 -5.97 -1.36 1.80 4.32 -1.26 -4.88 117.00 108.77 1ckv n LEU 129 Ca -0.05 2.38 0.07 0.00 -0.02 0.00 0.00 56.01 58.40 1ckv n LEU 129 Cb 0.66 -3.00 0.29 0.00 -1.62 0.00 0.00 43.42 39.75 1ckv n LEU 129 CO 0.46 -2.88 0.73 0.80 -1.22 0.00 0.00 177.39 175.28 1ckv n MET 130 N 1.58 3.27 0.00 3.23 1.56 -1.26 -4.83 117.12 120.67 1ckv n MET 130 Ca -0.11 -2.31 0.00 0.00 -0.27 0.00 0.00 57.70 55.01 1ckv n MET 130 Cb 0.17 -1.80 0.00 0.00 2.15 0.00 0.00 33.22 33.74 1ckv n MET 130 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ckv n GLY 131 N 0.94 1.62 3.64 -5.12 0.00 -1.26 -5.05 105.19 99.95 1ckv n GLY 131 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1ckv n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ckv s LEU 132 N 0.00 4.04 -0.35 0.99 1.02 -1.26 -4.94 118.68 118.19 1ckv s LEU 132 Ca 0.00 2.08 0.03 0.00 0.02 0.00 0.00 54.13 56.27 1ckv s LEU 132 Cb 0.00 -3.53 0.16 0.00 0.02 0.00 0.00 46.19 42.84 1ckv s LEU 132 CO 0.00 -1.27 0.42 -1.81 0.02 0.00 0.00 176.35 173.70 1ckv s ASP 133 N 4.89 0.61 -0.16 2.29 1.01 -1.26 -4.99 116.67 119.06 1ckv s ASP 133 Ca 0.82 -1.07 -0.14 0.00 0.71 0.00 0.00 52.55 52.87 1ckv s ASP 133 Cb -0.33 0.91 -0.11 0.00 1.01 0.00 0.00 42.92 44.40 1ckv s ASP 133 CO 0.34 -0.28 0.08 0.03 0.21 0.00 0.00 175.17 175.54 1ckv h ARG 134 N 7.46 0.00 -0.41 8.23 2.47 -1.99 -3.30 114.38 126.84 1ckv h ARG 134 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ckv h ARG 134 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1ckv h ARG 134 CO 0.22 0.45 0.00 1.63 0.56 0.00 0.00 179.97 182.83 1ckv n LYS 135 N -4.57 3.47 -0.06 0.04 5.02 -1.26 -4.32 118.16 116.47 1ckv n LYS 135 Ca -0.15 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 1ckv n LYS 135 Cb 0.40 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1ckv n LYS 135 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ckv n LEU 136 N 0.18 0.43 -0.31 -0.35 4.32 -1.26 -4.84 117.00 115.16 1ckv n LEU 136 Ca 0.22 -0.56 0.33 0.00 -0.02 0.00 0.00 56.01 55.98 1ckv n LEU 136 Cb 0.88 -0.01 0.71 0.00 -1.62 0.00 0.00 43.42 43.38 1ckv n LEU 136 CO 0.19 0.14 1.30 1.05 -1.22 0.00 0.00 177.39 178.85 1ckv h GLU 137 N 0.00 0.06 -4.58 3.23 4.11 -1.75 -3.32 114.58 112.33 1ckv h GLU 137 Ca 0.00 -0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 1ckv h GLU 137 Cb 0.95 -0.01 -0.38 0.00 0.50 0.00 0.00 28.75 29.81 1ckv h GLU 137 CO 0.00 0.04 -0.79 -0.51 0.07 0.00 0.00 179.01 177.82 1ckv s ASP 138 N -5.21 4.16 0.04 3.06 1.01 -1.26 -5.09 116.67 113.38 1ckv s ASP 138 Ca -0.06 -1.33 -0.28 0.00 0.71 0.00 0.00 52.55 51.59 1ckv s ASP 138 Cb 0.23 -1.36 0.09 0.00 1.01 0.00 0.00 42.92 42.90 1ckv s ASP 138 CO 0.80 -0.23 0.89 -0.47 0.21 0.00 0.00 175.17 176.37 1ckv s TYR 139 N 1.24 -0.31 0.42 4.23 6.14 -1.25 -5.15 117.35 122.68 1ckv s TYR 139 Ca -0.06 0.13 0.04 0.00 0.64 0.00 0.00 57.07 57.82 1ckv s TYR 139 Cb -0.19 0.56 -0.02 0.00 0.42 0.00 0.00 41.96 42.73 1ckv s TYR 139 CO -0.06 -0.62 0.12 -1.01 0.64 0.00 0.00 175.55 174.61 1ckv s HIS 140 N -3.19 1.79 0.00 4.97 3.76 -1.26 -5.20 115.29 116.16 1ckv s HIS 140 Ca 0.06 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 53.71 1ckv s HIS 140 Cb -0.01 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.47 1ckv s HIS 140 CO -0.07 -0.25 0.00 0.00 -0.85 0.00 0.00 174.74 173.57