#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckv n SER 2 N 0.00 0.00 -0.04 7.83 7.64 -1.26 -4.94 113.62 122.85 1ckv n SER 2 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1ckv n SER 2 Cb 0.00 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 1ckv n SER 2 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ckv n VAL 3 N -2.10 0.53 -4.46 0.44 0.24 -1.26 -5.03 118.33 106.69 1ckv n VAL 3 Ca 0.00 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.34 61.82 1ckv n VAL 3 Cb 0.00 -0.82 -0.13 0.00 -1.47 0.00 0.00 33.84 31.41 1ckv n VAL 3 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ckv s ASN 4 N -4.48 2.11 0.21 -1.34 0.01 -1.26 -5.15 114.94 105.04 1ckv s ASN 4 Ca -0.09 -0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 51.46 1ckv s ASN 4 Cb 0.03 -0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.52 1ckv s ASN 4 CO 0.26 0.09 0.34 -0.55 -1.51 0.00 0.00 177.10 175.72 1ckv s SER 5 N -1.27 0.00 1.08 -1.22 0.15 -1.26 -1.54 113.70 109.65 1ckv s SER 5 Ca 0.04 -1.04 -0.13 0.00 0.70 0.00 0.00 55.95 55.52 1ckv s SER 5 Cb -0.09 0.49 0.19 0.00 -1.71 0.00 0.00 66.02 64.91 1ckv s SER 5 CO 0.02 -1.00 0.88 0.59 1.20 0.00 0.00 173.24 174.93 1ckv n ASN 6 N -0.31 -0.76 -3.44 5.45 3.02 -1.26 -4.98 115.26 112.97 1ckv n ASN 6 Ca -0.02 -1.18 0.01 0.00 -0.03 0.00 0.00 54.58 53.36 1ckv n ASN 6 Cb 0.63 -0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 1ckv n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ckv s ALA 7 N -3.55 -2.64 -0.25 5.41 0.00 -1.26 -5.03 121.76 114.44 1ckv s ALA 7 Ca 0.53 2.08 0.13 0.00 0.00 0.00 0.00 51.96 54.69 1ckv s ALA 7 Cb -0.03 -2.00 0.72 0.00 0.00 0.00 0.00 23.12 21.81 1ckv s ALA 7 CO 0.38 -0.86 1.68 0.98 0.00 0.00 0.00 175.76 177.95 1ckv n TYR 8 N 4.77 1.90 0.23 0.00 4.19 -1.26 -4.56 117.16 122.43 1ckv n TYR 8 Ca -0.11 -0.95 0.12 0.00 3.31 0.00 0.00 57.90 60.27 1ckv n TYR 8 Cb 0.53 -0.52 0.63 0.00 0.49 0.00 0.00 39.34 40.47 1ckv n TYR 8 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 1ckv h ASP 9 N 2.96 0.00 1.47 2.98 3.32 -1.97 1.11 116.42 126.29 1ckv h ASP 9 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ckv h ASP 9 Cb 1.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.51 1ckv h ASP 9 CO 0.50 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 1ckv h ALA 10 N 1.51 1.00 0.00 3.45 0.00 -2.04 -3.34 119.26 119.83 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 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 1.05 0.91 0.33 0.00 0.00 0.30 -4.77 105.19 103.01 1ckv n GLY 11 Ca 0.05 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.29 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 0.06 0.04 -0.08 -0.61 -0.00 0.64 0.61 117.51 118.16 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 0.03 1.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 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 -3.14 1.24 -0.56 0.16 0.00 -1.26 -3.59 117.12 109.96 1ckv n MET 13 Ca -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 57.70 57.30 1ckv n MET 13 Cb 0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 33.22 32.11 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 0.77 0.89 0.00 3.03 0.00 0.19 -4.63 105.19 105.43 1ckv n GLY 14 Ca 0.08 -0.01 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 0.01 0.00 -1.01 0.99 7.99 0.28 -4.66 117.00 120.59 1ckv n LEU 15 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.07 1ckv n LEU 15 Cb 0.56 0.00 0.25 0.00 -0.11 0.00 0.00 43.42 44.12 1ckv n LEU 15 CO -0.01 0.00 0.71 0.29 -1.51 0.00 0.00 177.39 176.87 1ckv n LYS 16 N -0.71 2.28 -0.00 3.23 4.01 -1.26 -3.88 118.16 121.82 1ckv n LYS 16 Ca 0.00 -1.98 0.03 0.00 -0.51 0.00 0.00 58.31 55.86 1ckv n LYS 16 Cb 0.00 -1.44 -0.04 0.00 -0.51 0.00 0.00 35.03 33.04 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 1.38 0.00 2.68 0.72 0.00 -1.24 -4.82 105.19 103.92 1ckv n GLY 17 Ca 0.19 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.08 1.71 0.00 1.61 2.47 -1.25 -4.83 119.74 117.37 1ckv s LYS 18 Ca -0.00 -2.71 0.00 0.00 -1.56 0.00 0.00 55.97 51.70 1ckv s LYS 18 Cb 0.04 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.91 1ckv s LYS 18 CO 0.26 -1.31 0.53 -3.47 0.16 0.00 0.00 175.35 171.52 1ckv n ASP 19 N 2.49 0.00 -0.69 1.43 -0.08 -1.26 -4.62 116.55 113.83 1ckv n ASP 19 Ca 0.22 -1.08 0.03 0.00 -1.51 0.00 0.00 54.79 52.46 1ckv n ASP 19 Cb 0.40 -0.02 0.12 0.00 2.34 0.00 0.00 41.12 43.97 1ckv n ASP 19 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1ckv n PHE 20 N 0.00 0.50 0.00 -0.67 3.72 -1.26 -4.91 117.46 114.84 1ckv n PHE 20 Ca 0.00 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1ckv n PHE 20 Cb 0.52 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1ckv n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ckv n ALA 21 N 0.22 0.00 -1.30 4.37 0.00 -1.26 -3.74 120.51 118.80 1ckv n ALA 21 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1ckv n ALA 21 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.71 -5.75 -0.02 0.00 2.03 -1.26 -4.67 116.55 104.18 1ckv n ASP 22 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1ckv n ASP 22 Cb 0.00 -4.16 0.00 0.00 -0.72 0.00 0.00 41.12 36.24 1ckv n ASP 22 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ckv n GLN 23 N -0.70 0.28 -0.09 -0.67 7.27 -1.25 -4.88 117.38 117.34 1ckv n GLN 23 Ca -0.10 -0.61 -0.11 0.00 0.07 0.00 0.00 57.00 56.24 1ckv n GLN 23 Cb 0.59 -0.55 -0.04 0.00 2.41 0.00 0.00 30.24 32.65 1ckv n GLN 23 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ckv n PHE 24 N -0.05 0.53 -4.07 3.69 7.35 -1.26 -4.89 117.46 118.76 1ckv n PHE 24 Ca 0.00 0.23 -0.32 0.00 -0.76 0.00 0.00 57.45 56.60 1ckv n PHE 24 Cb 0.48 -0.76 -0.15 0.00 0.35 0.00 0.00 39.48 39.41 1ckv n PHE 24 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1ckv s PHE 25 N -2.51 3.20 0.00 -5.13 0.08 -1.26 -5.07 117.98 107.29 1ckv s PHE 25 Ca -0.24 -2.26 0.00 0.00 0.12 0.00 0.00 56.93 54.55 1ckv s PHE 25 Cb 0.05 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1ckv s PHE 25 CO 0.37 -0.87 0.00 0.00 -0.10 0.00 0.00 175.22 174.62 1ckv n ALA 26 N 4.45 0.00 -1.34 5.36 0.00 -1.26 -4.84 120.51 122.88 1ckv n ALA 26 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1ckv n ALA 26 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -5.24 0.16 0.00 2.03 -1.26 -4.84 116.55 107.39 1ckv n ASP 27 Ca 0.00 0.29 0.02 0.00 0.52 0.00 0.00 54.79 55.62 1ckv n ASP 27 Cb 0.00 -3.78 0.22 0.00 -0.72 0.00 0.00 41.12 36.84 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 0.05 0.00 -0.40 -0.67 5.08 -2.04 -3.06 114.58 113.54 1ckv h GLU 28 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ckv h GLU 28 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ckv h GLU 28 CO 0.35 0.52 0.00 0.09 -1.00 0.00 0.00 179.01 178.98 1ckv n ASN 29 N -3.62 3.70 -3.97 1.42 4.13 -1.26 -4.97 115.26 110.68 1ckv n ASN 29 Ca -0.00 -2.43 -0.09 0.00 1.68 0.00 0.00 54.58 53.73 1ckv n ASN 29 Cb 0.59 -0.42 -0.10 0.00 -1.54 0.00 0.00 39.78 38.31 1ckv n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ckv s GLN 30 N -1.78 0.43 -0.10 3.52 -1.52 -1.16 -5.16 119.66 113.89 1ckv s GLN 30 Ca 0.36 -0.69 -0.01 0.00 -1.95 0.00 0.00 55.36 53.08 1ckv s GLN 30 Cb 0.24 0.16 -0.03 0.00 -0.22 0.00 0.00 33.01 33.17 1ckv s GLN 30 CO 0.16 -0.09 -0.07 0.54 -0.25 0.00 0.00 175.29 175.58 1ckv s VAL 31 N -2.01 3.62 -0.11 1.09 0.11 -1.26 -4.81 120.40 117.02 1ckv s VAL 31 Ca -0.10 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1ckv s VAL 31 Cb -0.05 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 1ckv s VAL 31 CO -0.03 0.55 -0.06 0.54 -3.33 0.00 0.00 175.10 172.78 1ckv s VAL 32 N -0.26 3.77 -0.28 2.04 0.11 -1.26 -5.09 120.40 119.43 1ckv s VAL 32 Ca 0.03 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1ckv s VAL 32 Cb -0.13 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1ckv s VAL 32 CO 0.03 0.55 0.04 -1.00 -3.33 0.00 0.00 175.10 171.38 1ckv s HIS 33 N -0.20 3.12 -0.55 1.54 3.76 -1.26 -4.77 115.29 116.93 1ckv s HIS 33 Ca 0.03 -1.12 -0.13 0.00 -0.15 0.00 0.00 55.06 53.70 1ckv s HIS 33 Cb -0.13 -2.19 0.02 0.00 1.11 0.00 0.00 32.58 31.38 1ckv s HIS 33 CO 0.03 -0.61 0.24 0.39 -0.85 0.00 0.00 174.74 173.93 1ckv n GLU 34 N 4.81 -0.74 -3.81 1.40 1.02 -1.26 -4.88 120.64 117.18 1ckv n GLU 34 Ca -0.15 -0.22 -0.35 0.00 -0.02 0.00 0.00 57.16 56.42 1ckv n GLU 34 Cb 0.48 -0.69 -0.09 0.00 -0.02 0.00 0.00 31.44 31.12 1ckv n GLU 34 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ckv s SER 35 N -4.22 6.03 -0.19 1.62 0.01 -1.26 -4.95 113.70 110.74 1ckv s SER 35 Ca 0.17 0.18 0.15 0.00 1.31 0.00 0.00 55.95 57.76 1ckv s SER 35 Cb -0.10 -2.05 0.34 0.00 0.21 0.00 0.00 66.02 64.42 1ckv s SER 35 CO 0.42 0.17 1.25 0.47 0.41 0.00 0.00 173.24 175.97 1ckv n ASP 36 N 3.55 -0.22 -4.78 2.44 9.92 -1.26 -5.07 116.55 121.14 1ckv n ASP 36 Ca -0.16 -2.09 -0.37 0.00 -0.53 0.00 0.00 54.79 51.64 1ckv n ASP 36 Cb 0.52 0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 41.12 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 -0.90 3.45 -0.57 -3.53 2.01 -1.26 -4.35 115.64 110.48 1ckv s THR 37 Ca 0.15 1.14 -0.16 0.00 0.31 0.00 0.00 61.69 63.13 1ckv s THR 37 Cb 0.31 -3.61 0.13 0.00 0.01 0.00 0.00 72.50 69.34 1ckv s THR 37 CO -0.08 0.04 0.55 -0.69 -0.69 0.00 0.00 174.62 173.74 1ckv s VAL 38 N -1.56 5.20 0.14 3.82 1.01 0.54 -4.76 120.40 124.80 1ckv s VAL 38 Ca 0.58 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1ckv s VAL 38 Cb -0.26 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 1ckv s VAL 38 CO 0.32 -0.91 -0.05 -0.69 0.00 0.00 0.00 175.10 173.77 1ckv s VAL 39 N 1.61 3.53 -0.24 2.92 1.01 -0.89 -0.52 120.40 127.82 1ckv s VAL 39 Ca 0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1ckv s VAL 39 Cb -0.28 -2.72 0.12 0.00 0.00 0.00 0.00 36.38 33.51 1ckv s VAL 39 CO 0.02 -0.01 0.31 -0.76 0.00 0.00 0.00 175.10 174.67 1ckv s LEU 40 N -2.60 -0.40 -0.17 3.92 1.43 -0.81 0.04 118.68 120.10 1ckv s LEU 40 Ca 0.25 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1ckv s LEU 40 Cb -0.10 0.77 -0.01 0.00 0.03 0.00 0.00 46.19 46.88 1ckv s LEU 40 CO 0.16 -0.33 -0.10 0.68 0.23 0.00 0.00 176.35 177.00 1ckv s VAL 41 N 2.44 3.15 0.07 -1.59 -7.23 0.70 -2.79 120.40 115.15 1ckv s VAL 41 Ca 0.10 -0.60 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 1ckv s VAL 41 Cb -0.15 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1ckv s VAL 41 CO -0.18 0.49 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.18 1ckv s LEU 42 N 0.79 2.25 0.03 1.32 1.02 -1.25 -2.67 118.68 120.17 1ckv s LEU 42 Ca -0.04 -0.59 -0.36 0.00 0.02 0.00 0.00 54.13 53.16 1ckv s LEU 42 Cb -0.15 -0.67 -0.15 0.00 0.02 0.00 0.00 46.19 45.24 1ckv s LEU 42 CO 0.01 0.00 1.51 1.17 0.02 0.00 0.00 176.35 179.06 1ckv n LYS 43 N 1.41 1.46 -1.87 1.70 0.00 -1.26 -3.45 118.16 116.14 1ckv n LYS 43 Ca -0.20 0.53 -0.23 0.00 0.00 0.00 0.00 58.31 58.41 1ckv n LYS 43 Cb 0.54 -2.22 -0.06 0.00 0.00 0.00 0.00 35.03 33.29 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ckv s LYS 44 N 1.39 2.23 0.36 1.64 2.36 -1.20 -4.56 119.74 121.96 1ckv s LYS 44 Ca 0.86 0.07 0.04 0.00 -2.55 0.00 0.00 55.97 54.39 1ckv s LYS 44 Cb -0.89 -4.92 -0.06 0.00 -1.05 0.00 0.00 37.83 30.91 1ckv s LYS 44 CO 0.48 -3.70 0.05 0.45 1.55 0.00 0.00 175.35 174.18 1ckv s SER 45 N 9.11 2.87 0.51 1.43 0.15 -1.26 -4.93 113.70 121.58 1ckv s SER 45 Ca 0.78 -1.42 0.15 0.00 0.70 0.00 0.00 55.95 56.16 1ckv s SER 45 Cb -0.09 -0.06 0.84 0.00 -1.71 0.00 0.00 66.02 65.00 1ckv s SER 45 CO 0.04 -0.62 1.41 0.44 1.20 0.00 0.00 173.24 175.71 1ckv h ASP 46 N 1.95 0.00 0.00 5.45 5.19 -1.98 -0.78 116.42 126.26 1ckv h ASP 46 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1ckv h ASP 46 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1ckv h ASP 46 CO 0.71 0.00 0.00 1.21 -3.12 0.00 0.00 179.24 178.04 1ckv n GLU 47 N -2.41 0.00 -0.35 3.56 2.13 -1.26 -2.18 120.64 120.13 1ckv n GLU 47 Ca -0.01 0.38 -0.02 0.00 0.66 0.00 0.00 57.16 58.17 1ckv n GLU 47 Cb 0.52 -1.33 0.10 0.00 0.27 0.00 0.00 31.44 31.00 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 1.23 -0.92 6.31 5.03 -1.54 -1.16 117.51 126.45 1ckv h ILE 48 Ca 0.00 -0.43 0.09 0.00 -0.12 0.00 0.00 64.86 64.40 1ckv h ILE 48 Cb 0.00 -0.15 -0.12 0.00 -3.03 0.00 0.00 36.82 33.53 1ckv h ILE 48 CO 0.00 0.23 -0.57 -1.13 -0.68 0.00 0.00 178.15 176.00 1ckv h ASN 49 N 1.26 -2.06 0.02 1.72 -0.73 -1.22 0.58 115.58 115.15 1ckv h ASN 49 Ca 0.35 0.32 -0.00 0.00 1.87 0.00 0.00 56.30 58.84 1ckv h ASN 49 Cb -0.12 0.92 0.00 0.00 0.27 0.00 0.00 38.32 39.39 1ckv h ASN 49 CO -0.08 -0.26 -0.01 0.74 -0.37 0.00 0.00 177.43 177.45 1ckv h THR 50 N -0.05 0.00 -0.90 -3.57 2.02 -1.27 -3.02 112.91 106.12 1ckv h THR 50 Ca 0.16 -0.79 0.24 0.00 0.77 0.00 0.00 66.41 66.79 1ckv h THR 50 Cb 0.45 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.71 1ckv h THR 50 CO -0.90 0.00 0.14 0.15 0.37 0.00 0.00 175.52 175.28 1ckv h PHE 51 N -0.82 0.17 -0.23 3.16 3.57 -1.18 0.37 116.94 121.98 1ckv h PHE 51 Ca -0.00 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ckv h PHE 51 Cb 0.02 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1ckv h PHE 51 CO 0.00 -0.30 0.11 0.97 -2.23 0.00 0.00 178.31 176.86 1ckv h ILE 52 N 0.12 1.15 -0.92 1.41 6.09 0.02 0.70 117.51 126.07 1ckv h ILE 52 Ca 0.55 -0.43 0.12 0.00 -1.37 0.00 0.00 64.86 63.73 1ckv h ILE 52 Cb 1.13 1.01 -0.08 0.00 0.47 0.00 0.00 36.82 39.34 1ckv h ILE 52 CO -0.75 0.15 0.55 1.05 -3.07 0.00 0.00 178.15 176.08 1ckv h GLU 53 N 0.24 0.83 0.00 2.19 4.11 -0.21 -1.41 114.58 120.34 1ckv h GLU 53 Ca 0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1ckv h GLU 53 Cb 0.14 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ckv h GLU 53 CO -0.01 0.55 -0.01 0.93 0.07 0.00 0.00 179.01 180.55 1ckv h GLU 54 N 0.86 0.00 -0.86 1.06 5.08 -0.69 -2.91 114.58 117.12 1ckv h GLU 54 Ca 0.46 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.93 1ckv h GLU 54 Cb 0.50 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 1ckv h GLU 54 CO -0.28 0.00 -0.43 1.51 -1.00 0.00 0.00 179.01 178.81 1ckv n ILE 55 N -2.40 -0.53 0.03 3.13 0.00 0.24 0.18 119.36 120.01 1ckv n ILE 55 Ca -0.00 2.05 -0.17 0.00 0.00 0.00 0.00 62.75 64.63 1ckv n ILE 55 Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 39.64 36.97 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 0.79 0.07 9.51 4.07 -1.42 -2.97 115.31 125.36 1ckv h LEU 56 Ca 0.21 -0.58 -0.15 0.00 0.08 0.00 0.00 57.88 57.44 1ckv h LEU 56 Cb 0.42 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1ckv h LEU 56 CO -0.83 1.37 -0.72 -0.07 -1.08 0.00 0.00 178.44 177.11 1ckv h LEU 57 N 0.39 0.23 0.01 1.67 -0.00 -1.12 -1.33 115.31 115.16 1ckv h LEU 57 Ca -0.08 -0.89 -0.00 0.00 -0.00 0.00 0.00 57.88 56.90 1ckv h LEU 57 Cb 1.54 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.12 1ckv h LEU 57 CO 0.17 1.32 -0.01 0.71 -0.00 0.00 0.00 178.44 180.63 1ckv h THR 58 N -0.65 0.00 0.00 0.22 1.35 0.17 -2.50 112.91 111.50 1ckv h THR 58 Ca -0.15 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.41 1ckv h THR 58 Cb 1.41 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.78 1ckv h THR 58 CO 0.04 0.00 -1.79 0.47 -0.25 0.00 0.00 175.52 173.98 1ckv n ASP 59 N -2.39 0.74 -0.27 5.36 8.00 -1.13 -2.77 116.55 124.08 1ckv n ASP 59 Ca -0.00 0.35 0.14 0.00 0.71 0.00 0.00 54.79 55.99 1ckv n ASP 59 Cb 0.01 0.12 0.59 0.00 -0.02 0.00 0.00 41.12 41.82 1ckv n ASP 59 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ckv n TYR 60 N -2.99 0.00 -0.01 1.24 4.01 -0.60 -3.30 117.16 115.51 1ckv n TYR 60 Ca -0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.53 1ckv n TYR 60 Cb 1.05 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.44 0.07 0.03 -0.72 3.00 -0.62 -4.01 118.16 115.47 1ckv n LYS 61 Ca 0.17 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.38 1ckv n LYS 61 Cb 0.30 -1.03 -0.08 0.00 0.00 0.00 0.00 35.03 34.22 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 -0.01 0.00 -0.11 1.64 3.64 -1.35 -3.44 116.57 116.94 1ckv h LYS 62 Ca -0.07 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1ckv h LYS 62 Cb 1.10 -0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.75 1ckv h LYS 62 CO -0.01 0.11 -0.06 0.54 -2.27 0.00 0.00 179.45 177.75 1ckv s ASN 63 N -5.30 -0.18 0.21 4.20 6.03 -1.23 -5.04 114.94 113.63 1ckv s ASN 63 Ca -0.14 -0.08 0.00 0.00 -1.03 0.00 0.00 52.86 51.61 1ckv s ASN 63 Cb 0.05 0.27 0.00 0.00 -3.03 0.00 0.00 41.25 38.54 1ckv s ASN 63 CO 0.66 -0.02 0.00 0.52 -2.03 0.00 0.00 177.10 176.23 1ckv n VAL 64 N 3.68 0.00 0.00 3.54 0.31 -1.21 -4.89 118.33 119.76 1ckv n VAL 64 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ckv n VAL 64 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 -2.91 0.00 0.10 4.52 3.02 -1.26 -5.02 115.26 113.71 1ckv n ASN 65 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1ckv n ASN 65 Cb 0.00 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.99 3.52 0.13 -1.96 -3.35 132.00 129.35 1ckv h PRO 66 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1ckv h PRO 66 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1ckv h PRO 66 CO 0.00 0.00 0.62 0.00 -0.23 0.00 0.00 178.00 178.39 1ckv h THR 67 N 0.00 0.82 -0.33 1.56 1.03 -1.92 -3.35 112.91 110.72 1ckv h THR 67 Ca 0.00 -0.29 -0.06 0.00 -0.01 0.00 0.00 66.41 66.05 1ckv h THR 67 Cb 0.82 -0.11 -0.01 0.00 -1.07 0.00 0.00 68.15 67.78 1ckv h THR 67 CO 0.00 0.16 0.16 -0.69 -0.01 0.00 0.00 175.52 175.13 1ckv s VAL 68 N -5.87 3.09 -0.00 0.00 1.01 -1.26 -4.27 120.40 113.10 1ckv s VAL 68 Ca -0.11 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1ckv s VAL 68 Cb 0.23 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1ckv s VAL 68 CO 0.80 -0.18 -0.17 0.20 0.00 0.00 0.00 175.10 175.76 1ckv s ASN 69 N 9.72 3.86 0.18 3.32 0.01 -0.51 -4.98 114.94 126.53 1ckv s ASN 69 Ca 0.86 -0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 52.68 1ckv s ASN 69 Cb -0.09 -0.71 -0.04 0.00 0.41 0.00 0.00 41.25 40.81 1ckv s ASN 69 CO 0.10 0.30 0.37 0.54 -1.51 0.00 0.00 177.10 176.90 1ckv s VAL 70 N -0.82 5.21 -0.09 1.60 0.11 -1.26 -1.07 120.40 124.08 1ckv s VAL 70 Ca 0.13 -0.29 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1ckv s VAL 70 Cb -0.11 -3.70 0.05 0.00 -1.53 0.00 0.00 36.38 31.09 1ckv s VAL 70 CO 0.03 -0.10 0.13 -1.61 -3.33 0.00 0.00 175.10 170.21 1ckv s GLU 71 N -3.11 0.01 -0.36 1.54 8.01 0.41 -4.96 118.70 120.25 1ckv s GLU 71 Ca 0.39 0.40 -0.29 0.00 0.01 0.00 0.00 54.97 55.48 1ckv s GLU 71 Cb -0.11 -0.61 0.02 0.00 -4.31 0.00 0.00 34.13 29.11 1ckv s GLU 71 CO 0.28 -0.39 1.13 0.34 0.01 0.00 0.00 175.26 176.63 1ckv s ASP 72 N 2.24 6.81 0.00 -0.19 2.15 -1.26 0.17 116.67 126.59 1ckv s ASP 72 Ca 0.04 0.92 0.00 0.00 0.43 0.00 0.00 52.55 53.94 1ckv s ASP 72 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1ckv s ASP 72 CO -0.06 -1.01 0.00 -1.14 -0.17 0.00 0.00 175.17 172.79 1ckv n ARG 73 N 7.20 3.57 0.00 4.34 3.00 -0.72 -4.94 116.66 129.11 1ckv n ARG 73 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1ckv n ARG 73 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ckv n ALA 74 N -3.00 -0.31 -0.58 5.13 0.00 -1.26 -4.51 120.51 115.98 1ckv n ALA 74 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ckv n ALA 74 Cb 0.00 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.83 1.67 3.13 0.00 0.00 -1.26 -5.07 105.19 102.83 1ckv n GLY 75 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1ckv n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ckv s TYR 76 N -1.00 0.34 0.28 1.61 1.13 -1.26 -3.22 117.35 115.23 1ckv s TYR 76 Ca 0.05 -0.79 -0.27 0.00 -1.41 0.00 0.00 57.07 54.65 1ckv s TYR 76 Cb 0.05 -0.24 -0.09 0.00 -1.10 0.00 0.00 41.96 40.58 1ckv s TYR 76 CO 0.01 -0.42 0.91 -1.58 -2.51 0.00 0.00 175.55 171.96 1ckv s TRP 77 N -3.56 3.79 -0.31 -3.49 0.52 -1.22 -1.76 118.94 112.91 1ckv s TRP 77 Ca 0.03 1.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.93 1ckv s TRP 77 Cb 0.05 -2.91 0.06 0.00 -1.15 0.00 0.00 33.47 29.52 1ckv s TRP 77 CO -0.09 0.32 0.00 -1.58 0.02 0.00 0.00 176.95 175.62 1ckv s TRP 78 N -1.44 3.32 -0.20 -1.98 0.52 0.45 -3.90 118.94 115.71 1ckv s TRP 78 Ca 0.46 -2.07 -0.13 0.00 0.02 0.00 0.00 56.10 54.38 1ckv s TRP 78 Cb -0.21 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 29.84 1ckv s TRP 78 CO 0.26 -0.84 0.28 0.42 0.02 0.00 0.00 176.95 177.09 1ckv s ILE 79 N 1.20 5.29 -0.03 2.03 1.09 -1.12 0.16 121.20 129.81 1ckv s ILE 79 Ca -0.04 0.47 0.04 0.00 -1.10 0.00 0.00 60.65 60.02 1ckv s ILE 79 Cb -0.20 -3.62 -0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1ckv s ILE 79 CO -0.02 0.34 -0.14 -0.75 -0.10 0.00 0.00 174.94 174.27 1ckv s LYS 80 N 0.89 1.39 0.07 2.79 2.20 -0.23 -1.92 119.74 124.92 1ckv s LYS 80 Ca 0.14 -0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 55.23 1ckv s LYS 80 Cb -0.13 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 34.92 1ckv s LYS 80 CO 0.05 0.19 0.09 0.00 -0.36 0.00 0.00 175.35 175.32 1ckv s ALA 81 N 0.08 0.07 0.06 3.13 0.00 0.32 -1.43 121.76 123.99 1ckv s ALA 81 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1ckv s ALA 81 Cb -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1ckv s ALA 81 CO 0.01 -0.42 0.04 0.54 0.00 0.00 0.00 175.76 175.92 1ckv s ASN 82 N -2.75 5.29 0.00 0.00 6.03 -1.26 -0.34 114.94 121.91 1ckv s ASN 82 Ca 0.04 -0.05 0.00 0.00 -1.03 0.00 0.00 52.86 51.82 1ckv s ASN 82 Cb 0.05 -1.37 0.00 0.00 -3.03 0.00 0.00 41.25 36.90 1ckv s ASN 82 CO -0.09 0.21 0.00 0.61 -2.03 0.00 0.00 177.10 175.79 1ckv n GLY 83 N 0.78 0.60 0.00 0.45 0.00 -1.26 -4.68 105.19 101.08 1ckv n GLY 83 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ckv n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckv n LYS 84 N 0.00 0.00 -3.79 1.61 0.00 -1.26 -3.35 118.16 111.36 1ckv n LYS 84 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1ckv n LYS 84 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1ckv n LYS 84 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1ckv s ILE 85 N -2.00 0.11 -0.04 0.58 -0.00 -0.40 -5.02 121.20 114.43 1ckv s ILE 85 Ca 0.00 -0.99 -0.00 0.00 -0.00 0.00 0.00 60.65 59.65 1ckv s ILE 85 Cb 0.00 -1.35 0.03 0.00 -0.00 0.00 0.00 42.46 41.13 1ckv s ILE 85 CO 0.00 -0.48 0.02 -1.83 -0.00 0.00 0.00 174.94 172.65 1ckv s GLU 86 N -3.86 0.23 0.09 0.37 4.04 -1.26 0.55 118.70 118.87 1ckv s GLU 86 Ca 0.06 0.16 -0.09 0.00 0.04 0.00 0.00 54.97 55.14 1ckv s GLU 86 Cb 0.03 -0.54 -0.06 0.00 0.02 0.00 0.00 34.13 33.59 1ckv s GLU 86 CO -0.10 -0.21 0.39 0.08 -1.84 0.00 0.00 175.26 173.59 1ckv s VAL 87 N 1.43 5.11 0.28 1.83 1.01 0.26 -4.89 120.40 125.43 1ckv s VAL 87 Ca -0.04 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1ckv s VAL 87 Cb -0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1ckv s VAL 87 CO -0.03 0.23 0.60 -0.62 0.00 0.00 0.00 175.10 175.28 1ckv s ASP 88 N -1.92 6.57 -0.44 3.32 -1.08 -1.26 0.26 116.67 122.12 1ckv s ASP 88 Ca 0.35 0.92 -0.07 0.00 -0.52 0.00 0.00 52.55 53.24 1ckv s ASP 88 Cb -0.13 -2.23 0.11 0.00 -1.46 0.00 0.00 42.92 39.21 1ckv s ASP 88 CO 0.19 -0.17 0.27 0.00 0.52 0.00 0.00 175.17 175.98 1ckv n ASP 90 N 4.78 0.00 0.00 0.00 9.92 -1.26 -4.66 116.55 125.33 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 0.25 -1.24 1.02 -1.26 -2.25 120.64 117.16 1ckv n GLU 91 Ca 0.00 0.41 -0.16 0.00 -0.02 0.00 0.00 57.16 57.39 1ckv n GLU 91 Cb 0.00 -1.05 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.31 -1.15 -3.67 2.10 -1.85 -2.06 117.51 111.19 1ckv h ILE 92 Ca 0.00 0.00 0.33 0.00 1.08 0.00 0.00 64.86 66.27 1ckv h ILE 92 Cb 0.00 0.31 -0.10 0.00 -1.09 0.00 0.00 36.82 35.94 1ckv h ILE 92 CO 0.00 0.00 0.75 0.77 -1.08 0.00 0.00 178.15 178.59 1ckv h SER 93 N -0.74 0.34 -0.38 2.19 4.64 -1.88 1.55 113.55 119.26 1ckv h SER 93 Ca -0.04 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ckv h SER 93 Cb 0.65 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1ckv h SER 93 CO -0.02 -0.01 0.25 -0.33 -0.87 0.00 0.00 176.83 175.85 1ckv h GLU 94 N 0.25 0.50 0.00 4.77 4.39 -0.92 0.31 114.58 123.89 1ckv h GLU 94 Ca 0.67 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.33 1ckv h GLU 94 Cb 1.94 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1ckv h GLU 94 CO -0.31 0.34 -0.90 -0.11 -1.16 0.00 0.00 179.01 176.88 1ckv n LEU 95 N -4.82 0.76 -1.48 1.33 -0.00 0.85 -2.54 117.00 111.10 1ckv n LEU 95 Ca 0.00 0.25 0.11 0.00 -0.00 0.00 0.00 56.01 56.36 1ckv n LEU 95 Cb 0.03 -0.10 0.34 0.00 -0.00 0.00 0.00 43.42 43.69 1ckv n LEU 95 CO 0.35 -0.11 0.80 0.18 -0.00 0.00 0.00 177.39 178.60 1ckv n LEU 96 N -2.39 4.35 0.00 -1.96 7.99 0.49 -4.85 117.00 120.63 1ckv n LEU 96 Ca 0.01 -2.19 0.00 0.00 -0.01 0.00 0.00 56.01 53.82 1ckv n LEU 96 Cb 0.50 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1ckv n LEU 96 CO 0.39 0.90 0.00 0.61 -1.51 0.00 0.00 177.39 177.78 1ckv n GLY 97 N 1.43 0.38 2.47 -0.72 0.00 0.73 -4.88 105.19 104.59 1ckv n GLY 97 Ca 0.25 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1ckv n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ckv n ARG 98 N 0.00 0.00 -1.35 1.61 0.00 0.74 -1.07 116.66 116.59 1ckv n ARG 98 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1ckv n ARG 98 Cb 0.00 -0.76 -0.05 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 1.08 -1.21 -0.80 2.89 6.02 -1.26 -4.96 117.38 119.14 1ckv n GLN 99 Ca 0.07 0.89 -0.23 0.00 -0.01 0.00 0.00 57.00 57.72 1ckv n GLN 99 Cb 0.33 -5.06 0.19 0.00 1.02 0.00 0.00 30.24 26.73 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 -2.46 -3.69 0.00 1.08 3.01 -0.23 -5.06 117.46 110.11 1ckv n PHE 100 Ca -0.12 -0.76 0.00 0.00 1.01 0.00 0.00 57.45 57.58 1ckv n PHE 100 Cb 0.49 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 1ckv n PHE 100 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ckv n ASN 101 N -4.46 0.00 0.00 4.37 3.02 -1.26 -5.07 115.26 111.86 1ckv n ASN 101 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1ckv n ASN 101 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1ckv n ASN 101 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1ckv n VAL 102 N 0.00 0.00 0.78 2.41 3.14 -1.26 -4.94 118.33 118.46 1ckv n VAL 102 Ca 0.00 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 1ckv n VAL 102 Cb 0.00 0.00 0.43 0.00 -1.06 0.00 0.00 33.84 33.21 1ckv n VAL 102 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1ckv n TYR 103 N 0.00 0.00 -0.29 1.45 4.01 -1.26 -3.41 117.16 117.67 1ckv n TYR 103 Ca 0.00 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 57.99 1ckv n TYR 103 Cb 0.00 -0.33 0.58 0.00 -0.31 0.00 0.00 39.34 39.27 1ckv n TYR 103 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1ckv h ASP 104 N 0.00 0.31 -0.47 7.72 3.32 -1.97 1.00 116.42 126.33 1ckv h ASP 104 Ca 0.00 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ckv h ASP 104 Cb 0.20 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1ckv h ASP 104 CO 0.00 0.08 0.29 2.19 -1.72 0.00 0.00 179.24 180.08 1ckv h PHE 105 N 0.28 0.62 -0.66 4.55 -0.00 -2.00 -3.11 116.94 116.62 1ckv h PHE 105 Ca 0.54 0.00 -0.36 0.00 -0.00 0.00 0.00 57.97 58.15 1ckv h PHE 105 Cb 1.59 -0.21 -0.41 0.00 -0.00 0.00 0.00 35.95 36.92 1ckv h PHE 105 CO -0.00 0.42 -1.02 -0.11 -0.00 0.00 0.00 178.31 177.60 1ckv n LEU 106 N -4.44 2.68 0.13 2.10 7.94 0.15 -4.69 117.00 120.87 1ckv n LEU 106 Ca 0.04 -3.72 -0.24 0.00 -1.11 0.00 0.00 56.01 50.98 1ckv n LEU 106 Cb 0.08 0.19 -0.16 0.00 0.53 0.00 0.00 43.42 44.06 1ckv n LEU 106 CO 0.36 1.47 -0.32 1.62 -1.11 0.00 0.00 177.39 179.41 1ckv h VAL 107 N 4.14 1.18 0.00 1.96 3.04 0.82 -3.43 116.25 123.96 1ckv h VAL 107 Ca 0.03 -2.66 -0.09 0.00 -1.01 0.00 0.00 66.70 62.97 1ckv h VAL 107 Cb 1.31 2.96 -0.09 0.00 -2.01 0.00 0.00 31.29 33.46 1ckv h VAL 107 CO 0.42 0.83 -0.20 -0.67 -1.01 0.00 0.00 177.57 176.94 1ckv n ASP 108 N -3.68 -0.74 -4.09 3.17 2.03 -1.26 -5.05 116.55 106.92 1ckv n ASP 108 Ca -0.19 -1.45 -0.29 0.00 0.52 0.00 0.00 54.79 53.37 1ckv n ASP 108 Cb 1.10 0.25 0.25 0.00 -0.72 0.00 0.00 41.12 41.99 1ckv n ASP 108 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ckv s VAL 109 N 0.01 1.70 0.24 5.18 -7.23 -1.26 -4.91 120.40 114.12 1ckv s VAL 109 Ca 0.01 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.13 1ckv s VAL 109 Cb 0.05 -2.25 0.20 0.00 0.56 0.00 0.00 36.38 34.93 1ckv s VAL 109 CO -0.01 0.00 1.82 -1.28 -0.31 0.00 0.00 175.10 175.32 1ckv h SER 110 N -2.70 0.70 0.00 4.85 0.87 -1.95 -3.46 113.55 111.85 1ckv h SER 110 Ca -0.52 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1ckv h SER 110 Cb 1.33 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1ckv h SER 110 CO 0.43 0.42 0.00 -1.20 -0.53 0.00 0.00 176.83 175.95 1ckv n SER 111 N -4.72 0.00 -3.16 6.23 7.64 -1.09 -5.06 113.62 113.46 1ckv n SER 111 Ca 0.12 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1ckv n SER 111 Cb 0.23 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.99 0.10 0.44 -4.23 -1.26 -0.22 115.64 107.47 1ckv s THR 112 Ca 0.00 -0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.19 1ckv s THR 112 Cb 0.00 -0.85 -0.08 0.00 1.34 0.00 0.00 72.50 72.90 1ckv s THR 112 CO 0.00 -0.00 1.56 -0.63 -0.54 0.00 0.00 174.62 175.01 1ckv s ILE 113 N 2.68 3.02 0.00 2.99 -1.09 0.11 -4.85 121.20 124.06 1ckv s ILE 113 Ca 0.11 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1ckv s ILE 113 Cb -0.09 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1ckv s ILE 113 CO -0.23 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.11 1ckv n GLY 114 N 3.81 4.30 3.66 6.18 0.00 -1.26 -2.09 105.19 119.79 1ckv n GLY 114 Ca 0.14 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.55 4.25 -0.21 1.61 3.00 0.48 -4.82 118.95 118.71 1ckv s ARG 115 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 55.73 57.23 1ckv s ARG 115 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 34.95 31.22 1ckv s ARG 115 CO 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 175.30 174.68 1ckv s ALA 116 N 3.27 3.14 -0.07 2.13 0.00 -1.26 -0.26 121.76 128.71 1ckv s ALA 116 Ca 0.51 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1ckv s ALA 116 Cb -0.20 -1.88 0.03 0.00 0.00 0.00 0.00 23.12 21.07 1ckv s ALA 116 CO 0.13 -0.17 0.02 1.52 0.00 0.00 0.00 175.76 177.26 1ckv s TYR 117 N 1.03 0.48 -0.07 0.00 -0.85 -1.01 -5.03 117.35 111.89 1ckv s TYR 117 Ca 0.03 -0.06 -0.05 0.00 -0.52 0.00 0.00 57.07 56.46 1ckv s TYR 117 Cb -0.14 -0.71 -0.04 0.00 0.38 0.00 0.00 41.96 41.45 1ckv s TYR 117 CO 0.02 -0.30 0.17 -0.08 -1.52 0.00 0.00 175.55 173.84 1ckv s THR 118 N 2.04 5.47 -0.10 -3.49 -1.32 -1.26 -2.30 115.64 114.67 1ckv s THR 118 Ca 0.05 0.06 -0.06 0.00 -1.21 0.00 0.00 61.69 60.53 1ckv s THR 118 Cb -0.12 -3.47 0.04 0.00 -1.51 0.00 0.00 72.50 67.44 1ckv s THR 118 CO -0.05 0.49 0.24 -0.22 -2.21 0.00 0.00 174.62 172.87 1ckv s LEU 119 N -1.43 0.64 0.00 9.08 0.20 -1.25 -5.00 118.68 120.91 1ckv s LEU 119 Ca 0.21 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.52 1ckv s LEU 119 Cb -0.12 0.74 0.00 0.00 -0.43 0.00 0.00 46.19 46.37 1ckv s LEU 119 CO 0.11 -0.14 0.00 0.61 -0.29 0.00 0.00 176.35 176.64 1ckv n GLY 120 N 3.84 1.93 2.55 7.98 0.00 -1.26 -3.32 105.19 116.90 1ckv n GLY 120 Ca -0.21 0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 2.69 0.00 1.61 2.47 -1.26 -4.99 114.94 111.46 1ckv s ASN 121 Ca 0.00 -2.92 0.00 0.00 0.42 0.00 0.00 52.86 50.36 1ckv s ASN 121 Cb 0.00 -0.73 0.00 0.00 -1.45 0.00 0.00 41.25 39.07 1ckv s ASN 121 CO 0.00 -0.20 0.00 0.29 -3.72 0.00 0.00 177.10 173.47 1ckv n LYS 122 N 3.10 0.00 -3.16 0.43 5.02 -1.21 -4.23 118.16 118.10 1ckv n LYS 122 Ca 0.20 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.10 1ckv n LYS 122 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 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 3.64 -0.15 2.13 -0.71 0.14 -3.95 117.98 119.08 1ckv s PHE 123 Ca 0.00 1.20 -0.04 0.00 -1.04 0.00 0.00 56.93 57.05 1ckv s PHE 123 Cb 0.00 -2.67 -0.03 0.00 -1.21 0.00 0.00 43.02 39.11 1ckv s PHE 123 CO 0.00 0.26 -0.02 -0.08 -1.34 0.00 0.00 175.22 174.04 1ckv s THR 124 N 0.17 4.09 -0.23 -4.49 -1.32 -0.97 0.88 115.64 113.77 1ckv s THR 124 Ca 0.33 -0.29 -0.03 0.00 -1.21 0.00 0.00 61.69 60.48 1ckv s THR 124 Cb -0.18 -2.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1ckv s THR 124 CO 0.17 0.50 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.40 1ckv s ILE 125 N 0.27 3.23 0.21 5.08 1.09 0.19 -2.42 121.20 128.86 1ckv s ILE 125 Ca -0.02 -0.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 1ckv s ILE 125 Cb -0.14 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 1ckv s ILE 125 CO 0.02 0.36 0.39 0.28 -0.10 0.00 0.00 174.94 175.89 1ckv s THR 126 N 1.44 5.21 0.00 2.92 -1.32 0.64 -1.28 115.64 123.25 1ckv s THR 126 Ca 0.04 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1ckv s THR 126 Cb -0.15 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 1ckv s THR 126 CO -0.04 -0.21 0.81 -1.20 -2.21 0.00 0.00 174.62 171.77 1ckv n SER 127 N -0.82 0.00 -4.10 8.08 7.64 -1.21 0.18 113.62 123.39 1ckv n SER 127 Ca -0.05 -1.65 -0.27 0.00 1.01 0.00 0.00 58.87 57.91 1ckv n SER 127 Cb 0.54 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 1ckv n SER 127 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ckv n GLU 128 N 0.00 0.81 -1.40 1.43 -0.58 -1.21 -4.49 120.64 115.20 1ckv n GLU 128 Ca 0.00 -3.19 -0.14 0.00 -0.42 0.00 0.00 57.16 53.41 1ckv n GLU 128 Cb 0.63 1.15 -0.06 0.00 -0.57 0.00 0.00 31.44 32.59 1ckv n GLU 128 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ckv n LEU 129 N 0.00 -0.79 -1.38 -4.62 4.32 -1.26 -4.83 117.00 108.44 1ckv n LEU 129 Ca -0.14 0.34 0.07 0.00 -0.02 0.00 0.00 56.01 56.26 1ckv n LEU 129 Cb 0.56 -2.44 0.29 0.00 -1.62 0.00 0.00 43.42 40.21 1ckv n LEU 129 CO 0.30 -0.91 0.73 0.80 -1.22 0.00 0.00 177.39 177.09 1ckv n MET 130 N -1.81 3.35 0.00 3.23 1.56 -1.26 -4.75 117.12 117.44 1ckv n MET 130 Ca -0.14 -2.31 0.00 0.00 -0.27 0.00 0.00 57.70 54.98 1ckv n MET 130 Cb 0.55 -1.83 0.00 0.00 2.15 0.00 0.00 33.22 34.09 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 0.88 0.36 5.16 -5.12 0.00 -1.26 -4.94 105.19 100.27 1ckv n GLY 131 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ckv n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 132 N -0.11 0.00 -1.82 0.99 4.32 -1.26 -2.66 117.00 116.46 1ckv n LEU 132 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1ckv n LEU 132 Cb 0.00 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 41.92 1ckv n LEU 132 CO 0.00 0.00 0.84 -0.90 -1.22 0.00 0.00 177.39 176.11 1ckv n ASP 133 N 1.60 4.62 -0.14 -1.43 5.68 -1.26 -4.69 116.55 120.92 1ckv n ASP 133 Ca 0.00 -3.76 -0.09 0.00 -0.50 0.00 0.00 54.79 50.43 1ckv n ASP 133 Cb 0.00 -0.68 -0.01 0.00 -1.14 0.00 0.00 41.12 39.30 1ckv n ASP 133 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1ckv h ARG 134 N 1.56 0.65 -0.21 0.11 2.47 -1.87 -2.62 114.38 114.47 1ckv h ARG 134 Ca 0.41 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.93 1ckv h ARG 134 Cb 1.55 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.74 1ckv h ARG 134 CO 0.89 0.63 -0.09 1.63 0.56 0.00 0.00 179.97 183.59 1ckv n LYS 135 N -4.59 2.02 -0.08 0.04 4.01 -1.26 -4.49 118.16 113.81 1ckv n LYS 135 Ca 0.00 -2.98 0.00 0.00 -0.51 0.00 0.00 58.31 54.82 1ckv n LYS 135 Cb 0.18 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 1ckv n LYS 135 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ckv n LEU 136 N -1.00 0.31 -0.16 -0.35 4.32 -1.19 -4.71 117.00 114.21 1ckv n LEU 136 Ca 0.24 -0.49 0.29 0.00 -0.02 0.00 0.00 56.01 56.03 1ckv n LEU 136 Cb 0.87 -0.01 0.72 0.00 -1.62 0.00 0.00 43.42 43.38 1ckv n LEU 136 CO 0.11 0.12 1.26 -0.33 -1.22 0.00 0.00 177.39 177.34 1ckv h GLU 137 N 0.00 0.00 0.00 3.23 5.08 -1.69 -1.97 114.58 119.22 1ckv h GLU 137 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ckv h GLU 137 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ckv h GLU 137 CO 0.00 0.00 -0.25 -0.25 -1.00 0.00 0.00 179.01 177.51 1ckv n ASP 138 N -4.06 0.33 -4.51 1.42 9.92 -1.26 -5.03 116.55 113.35 1ckv n ASP 138 Ca 0.18 -1.74 -0.43 0.00 -0.53 0.00 0.00 54.79 52.27 1ckv n ASP 138 Cb 1.00 -0.14 -0.04 0.00 -0.64 0.00 0.00 41.12 41.31 1ckv n ASP 138 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1ckv s TYR 139 N -0.31 2.69 0.40 1.24 5.04 -0.74 -5.02 117.35 120.64 1ckv s TYR 139 Ca 0.03 -0.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.60 1ckv s TYR 139 Cb 0.02 -4.23 0.00 0.00 0.35 0.00 0.00 41.96 38.11 1ckv s TYR 139 CO 0.00 -1.53 0.57 -1.01 -1.34 0.00 0.00 175.55 172.24 1ckv s HIS 140 N 4.26 3.00 0.00 4.97 3.76 -1.26 -4.95 115.29 125.07 1ckv s HIS 140 Ca 0.30 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1ckv s HIS 140 Cb -0.13 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.31 1ckv s HIS 140 CO 0.17 -0.30 0.00 0.00 -0.85 0.00 0.00 174.74 173.76