#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 -8.33 0.22 7.83 7.64 -1.26 -4.79 113.62 114.93 1ckv n SER 2 Ca 0.00 1.26 0.05 0.00 1.01 0.00 0.00 58.87 61.19 1ckv n SER 2 Cb 0.00 -4.70 0.50 0.00 -1.01 0.00 0.00 64.21 59.00 1ckv n SER 2 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1ckv h VAL 3 N 3.93 1.12 -3.32 0.44 -1.51 -2.14 -3.41 116.25 111.36 1ckv h VAL 3 Ca 0.00 -0.58 -0.57 0.00 -1.23 0.00 0.00 66.70 64.32 1ckv h VAL 3 Cb 0.00 1.29 -0.07 0.00 -2.13 0.00 0.00 31.29 30.38 1ckv h VAL 3 CO 0.00 0.17 -0.06 0.21 -1.23 0.00 0.00 177.57 176.66 1ckv s ASN 4 N -7.00 6.82 0.13 4.19 2.47 -1.26 -5.07 114.94 115.21 1ckv s ASN 4 Ca -0.04 0.97 0.07 0.00 0.42 0.00 0.00 52.86 54.29 1ckv s ASN 4 Cb 0.16 -2.33 -0.04 0.00 -1.45 0.00 0.00 41.25 37.59 1ckv s ASN 4 CO 0.70 -0.00 -0.17 -0.44 -3.72 0.00 0.00 177.10 173.46 1ckv s SER 5 N 0.48 2.37 -0.05 -4.21 0.01 -1.26 -5.09 113.70 105.95 1ckv s SER 5 Ca 0.30 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1ckv s SER 5 Cb -0.16 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1ckv s SER 5 CO 0.14 -0.05 -0.07 0.21 0.41 0.00 0.00 173.24 173.88 1ckv s ASN 6 N -2.33 1.23 0.30 2.44 2.47 -1.26 -5.14 114.94 112.66 1ckv s ASN 6 Ca 0.10 -0.19 -0.19 0.00 0.42 0.00 0.00 52.86 53.00 1ckv s ASN 6 Cb -0.07 -0.58 0.05 0.00 -1.45 0.00 0.00 41.25 39.20 1ckv s ASN 6 CO 0.05 -0.02 0.81 0.00 -3.72 0.00 0.00 177.10 174.22 1ckv s ALA 7 N 0.83 -1.09 0.00 1.71 0.00 -1.26 -5.07 121.76 116.88 1ckv s ALA 7 Ca -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1ckv s ALA 7 Cb -0.15 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.76 1ckv s ALA 7 CO 0.01 -1.02 0.86 0.98 0.00 0.00 0.00 175.76 176.59 1ckv n TYR 8 N -0.52 0.00 0.19 0.00 4.19 -1.26 -4.89 117.16 114.88 1ckv n TYR 8 Ca -0.06 -0.10 0.10 0.00 3.31 0.00 0.00 57.90 61.16 1ckv n TYR 8 Cb 0.60 0.08 0.56 0.00 0.49 0.00 0.00 39.34 41.06 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 0.11 0.00 1.68 2.98 5.19 -1.97 1.08 116.42 125.49 1ckv h ASP 9 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1ckv h ASP 9 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1ckv h ASP 9 CO -0.01 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.11 1ckv h ALA 10 N 1.59 1.00 0.00 3.45 0.00 -2.04 -3.35 119.26 119.92 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 1.15 0.83 0.34 0.00 0.00 0.29 -4.75 105.19 103.04 1ckv n GLY 11 Ca 0.05 0.00 0.23 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 0.08 0.01 -0.16 -0.61 -0.00 0.63 0.65 117.51 118.12 1ckv h ILE 12 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 1ckv h ILE 12 Cb 0.04 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.88 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 -3.09 1.40 0.00 0.16 0.00 -1.26 -1.87 117.12 112.46 1ckv n MET 13 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 57.70 57.06 1ckv n MET 13 Cb 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 0.82 0.00 0.00 3.03 0.00 0.20 -3.61 105.19 105.64 1ckv n GLY 14 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.46 2.51 -0.79 0.99 4.32 0.23 -3.03 117.00 119.77 1ckv n LEU 15 Ca 0.00 0.07 0.07 0.00 -0.02 0.00 0.00 56.01 56.13 1ckv n LEU 15 Cb 0.20 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.19 1ckv n LEU 15 CO 0.00 0.00 0.66 0.29 -1.22 0.00 0.00 177.39 177.12 1ckv n LYS 16 N -0.49 1.99 -0.01 3.23 4.01 -1.24 -3.91 118.16 121.74 1ckv n LYS 16 Ca 0.00 -1.54 -0.01 0.00 -0.51 0.00 0.00 58.31 56.25 1ckv n LYS 16 Cb 0.00 -1.33 -0.02 0.00 -0.51 0.00 0.00 35.03 33.16 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 1.18 -0.15 2.67 0.72 0.00 -0.78 -4.87 105.19 103.96 1ckv n GLY 17 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.12 1.45 0.00 1.61 2.36 -1.17 -4.79 119.74 117.08 1ckv s LYS 18 Ca -0.01 -2.33 0.00 0.00 -2.55 0.00 0.00 55.97 51.08 1ckv s LYS 18 Cb 0.01 -2.34 0.00 0.00 -1.05 0.00 0.00 37.83 34.45 1ckv s LYS 18 CO 0.13 -1.25 0.54 -3.47 1.55 0.00 0.00 175.35 172.85 1ckv n ASP 19 N 3.02 0.47 -1.15 1.43 2.03 -1.26 -4.43 116.55 116.65 1ckv n ASP 19 Ca 0.16 -1.21 -0.15 0.00 0.52 0.00 0.00 54.79 54.11 1ckv n ASP 19 Cb 0.38 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 1ckv n ASP 19 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1ckv n PHE 20 N -0.11 0.00 -0.29 -0.67 7.35 -1.26 -4.96 117.46 117.53 1ckv n PHE 20 Ca 0.00 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 1ckv n PHE 20 Cb 0.39 -2.87 0.17 0.00 0.35 0.00 0.00 39.48 37.51 1ckv n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ckv n ALA 21 N 1.28 -2.95 -1.10 3.13 0.00 -1.26 -3.51 120.51 116.11 1ckv n ALA 21 Ca -0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 53.44 52.40 1ckv n ALA 21 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.08 -5.34 -0.08 0.00 2.03 -1.26 -4.63 116.55 104.18 1ckv n ASP 22 Ca 0.08 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1ckv n ASP 22 Cb 0.34 -3.14 0.00 0.00 -0.72 0.00 0.00 41.12 37.59 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 -0.32 0.00 0.02 -0.67 6.02 -1.23 -4.89 117.38 116.31 1ckv n GLN 23 Ca -0.03 -0.39 -0.21 0.00 -0.01 0.00 0.00 57.00 56.36 1ckv n GLN 23 Cb 0.43 -0.34 -0.14 0.00 1.02 0.00 0.00 30.24 31.21 1ckv n GLN 23 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1ckv h PHE 24 N 0.00 0.46 -3.79 1.08 -1.00 -1.82 -3.44 116.94 108.43 1ckv h PHE 24 Ca 0.00 -0.34 -0.66 0.00 2.81 0.00 0.00 57.97 59.78 1ckv h PHE 24 Cb 1.04 -0.02 -0.37 0.00 3.61 0.00 0.00 35.95 40.21 1ckv h PHE 24 CO -0.00 1.43 -0.80 -0.06 -1.61 0.00 0.00 178.31 177.27 1ckv s PHE 25 N -2.45 3.09 0.00 -0.55 0.08 -1.26 -5.08 117.98 111.81 1ckv s PHE 25 Ca -0.17 -2.19 0.00 0.00 0.12 0.00 0.00 56.93 54.68 1ckv s PHE 25 Cb 0.03 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1ckv s PHE 25 CO 0.79 -0.86 0.00 0.00 -0.10 0.00 0.00 175.22 175.05 1ckv n ALA 26 N 4.48 0.00 -1.96 5.36 0.00 -1.26 -5.03 120.51 122.10 1ckv n ALA 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ckv n ALA 26 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.22 0.00 2.03 -1.26 -4.93 116.55 112.60 1ckv n ASP 27 Ca 0.00 -0.97 0.08 0.00 0.52 0.00 0.00 54.79 54.43 1ckv n ASP 27 Cb 0.00 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.00 0.00 -0.42 -0.67 5.08 -2.03 -3.46 114.58 113.08 1ckv h GLU 28 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1ckv h GLU 28 Cb 0.97 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1ckv h GLU 28 CO 0.00 0.26 -0.16 -1.71 -1.00 0.00 0.00 179.01 176.40 1ckv n ASN 29 N -3.58 -4.87 -4.27 1.42 2.85 -1.26 -4.98 115.26 100.56 1ckv n ASN 29 Ca -0.01 0.22 -0.31 0.00 -0.11 0.00 0.00 54.58 54.37 1ckv n ASN 29 Cb 0.40 -3.15 -0.16 0.00 1.24 0.00 0.00 39.78 38.11 1ckv n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1ckv s GLN 30 N -2.50 2.47 0.11 1.20 -0.21 -1.26 -5.12 119.66 114.34 1ckv s GLN 30 Ca 0.00 -0.91 -0.21 0.00 0.02 0.00 0.00 55.36 54.26 1ckv s GLN 30 Cb 0.00 -2.14 -0.07 0.00 1.00 0.00 0.00 33.01 31.80 1ckv s GLN 30 CO 0.00 0.41 0.64 0.54 -2.12 0.00 0.00 175.29 174.77 1ckv s VAL 31 N -0.24 4.61 -0.11 1.09 0.11 -1.26 -5.07 120.40 119.52 1ckv s VAL 31 Ca -0.01 1.37 -0.01 0.00 -2.93 0.00 0.00 61.98 60.40 1ckv s VAL 31 Cb -0.13 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 1ckv s VAL 31 CO 0.03 0.52 -0.05 0.54 -3.33 0.00 0.00 175.10 172.80 1ckv s VAL 32 N -1.15 3.78 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.54 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 -0.20 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.06 1ckv s VAL 32 CO 0.22 0.55 0.04 -1.38 -3.33 0.00 0.00 175.10 171.19 1ckv s HIS 33 N -0.19 3.12 -0.39 1.54 -3.43 -1.26 -4.78 115.29 109.90 1ckv s HIS 33 Ca 0.03 -1.16 -0.11 0.00 -0.80 0.00 0.00 55.06 53.02 1ckv s HIS 33 Cb -0.13 -2.19 0.02 0.00 -1.43 0.00 0.00 32.58 28.84 1ckv s HIS 33 CO 0.03 -0.62 0.21 0.39 -2.00 0.00 0.00 174.74 172.74 1ckv n GLU 34 N 4.80 -0.79 -4.07 -0.38 1.02 -1.26 -4.89 120.64 115.08 1ckv n GLU 34 Ca -0.15 -0.33 -0.32 0.00 -0.02 0.00 0.00 57.16 56.33 1ckv n GLU 34 Cb 0.48 -0.17 -0.15 0.00 -0.02 0.00 0.00 31.44 31.58 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 -4.49 4.17 -0.61 1.62 0.01 -1.26 -5.00 113.70 108.14 1ckv s SER 35 Ca 0.15 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.22 1ckv s SER 35 Cb -0.09 -1.55 0.42 0.00 0.21 0.00 0.00 66.02 65.02 1ckv s SER 35 CO 0.31 -0.15 1.75 0.47 0.41 0.00 0.00 173.24 176.03 1ckv n ASP 36 N 4.49 6.73 -4.78 2.44 8.00 -1.26 -5.02 116.55 127.14 1ckv n ASP 36 Ca -0.16 -3.79 -0.36 0.00 0.71 0.00 0.00 54.79 51.20 1ckv n ASP 36 Cb 0.44 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 40.69 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ckv s THR 37 N -4.94 3.73 -0.59 -3.53 2.01 -1.26 -4.18 115.64 106.88 1ckv s THR 37 Ca 0.57 1.30 -0.21 0.00 0.31 0.00 0.00 61.69 63.65 1ckv s THR 37 Cb 0.46 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 69.38 1ckv s THR 37 CO -0.13 -0.02 0.83 -0.69 -0.69 0.00 0.00 174.62 173.92 1ckv s VAL 38 N -1.69 4.57 -0.09 3.82 1.01 0.12 -4.86 120.40 123.28 1ckv s VAL 38 Ca 0.59 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ckv s VAL 38 Cb -0.21 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 1ckv s VAL 38 CO 0.27 -1.17 -0.02 -0.69 0.00 0.00 0.00 175.10 173.49 1ckv s VAL 39 N 3.42 4.14 -0.25 2.92 1.01 -0.91 -0.32 120.40 130.41 1ckv s VAL 39 Ca 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1ckv s VAL 39 Cb -0.18 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1ckv s VAL 39 CO 0.11 0.60 0.09 -0.76 0.00 0.00 0.00 175.10 175.14 1ckv s LEU 40 N -0.79 1.13 -0.18 3.92 1.02 -1.02 0.13 118.68 122.89 1ckv s LEU 40 Ca 0.12 -1.15 -0.04 0.00 0.02 0.00 0.00 54.13 53.08 1ckv s LEU 40 Cb -0.11 -0.53 -0.02 0.00 0.02 0.00 0.00 46.19 45.54 1ckv s LEU 40 CO 0.02 -0.38 -0.03 0.68 0.02 0.00 0.00 176.35 176.65 1ckv s VAL 41 N 1.91 3.78 0.04 -1.59 -7.23 -0.93 -2.59 120.40 113.80 1ckv s VAL 41 Ca 0.05 -0.38 0.06 0.00 -1.81 0.00 0.00 61.98 59.90 1ckv s VAL 41 Cb -0.17 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1ckv s VAL 41 CO -0.22 0.47 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.11 1ckv s LEU 42 N 0.70 2.17 -0.18 1.32 1.43 -1.24 -2.63 118.68 120.25 1ckv s LEU 42 Ca -0.02 -0.49 -0.37 0.00 -1.03 0.00 0.00 54.13 52.23 1ckv s LEU 42 Cb -0.14 -0.77 -0.13 0.00 0.03 0.00 0.00 46.19 45.18 1ckv s LEU 42 CO 0.02 0.09 1.83 1.17 0.23 0.00 0.00 176.35 179.69 1ckv n LYS 43 N 1.87 1.73 -1.56 1.70 3.00 -1.26 -3.17 118.16 120.48 1ckv n LYS 43 Ca -0.18 0.64 -0.16 0.00 -0.00 0.00 0.00 58.31 58.61 1ckv n LYS 43 Cb 0.54 -2.41 -0.08 0.00 0.00 0.00 0.00 35.03 33.08 1ckv n LYS 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ckv n LYS 44 N 6.14 0.57 -4.50 1.64 0.00 -1.26 -4.58 118.16 116.17 1ckv n LYS 44 Ca 0.24 -0.72 -0.23 0.00 0.00 0.00 0.00 58.31 57.60 1ckv n LYS 44 Cb 0.22 -3.52 -0.11 0.00 0.00 0.00 0.00 35.03 31.62 1ckv n LYS 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1ckv s SER 45 N 10.46 2.79 0.12 3.14 0.01 -1.26 -4.97 113.70 123.99 1ckv s SER 45 Ca 0.96 -1.39 0.06 0.00 1.31 0.00 0.00 55.95 56.89 1ckv s SER 45 Cb -0.18 -0.14 0.30 0.00 0.21 0.00 0.00 66.02 66.21 1ckv s SER 45 CO 0.13 -0.58 1.04 0.47 0.41 0.00 0.00 173.24 174.71 1ckv n ASP 46 N -0.78 0.14 0.04 2.44 8.00 -1.26 -1.62 116.55 123.52 1ckv n ASP 46 Ca -0.03 0.44 -0.02 0.00 0.71 0.00 0.00 54.79 55.88 1ckv n ASP 46 Cb 0.67 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1ckv n ASP 46 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ckv h GLU 47 N 0.00 -0.15 -0.60 -1.24 4.81 -1.93 -3.06 114.58 112.41 1ckv h GLU 47 Ca 0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1ckv h GLU 47 Cb 0.37 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1ckv h GLU 47 CO 0.00 -0.10 0.35 0.82 -0.73 0.00 0.00 179.01 179.36 1ckv h ILE 48 N -0.49 1.04 -0.73 2.32 5.03 -1.61 0.17 117.51 123.24 1ckv h ILE 48 Ca -0.02 -0.24 0.12 0.00 -0.12 0.00 0.00 64.86 64.61 1ckv h ILE 48 Cb 0.12 0.29 -0.13 0.00 -3.03 0.00 0.00 36.82 34.07 1ckv h ILE 48 CO 0.03 0.13 -0.34 0.78 -0.68 0.00 0.00 178.15 178.06 1ckv h ASN 49 N 0.69 -1.20 0.00 1.72 2.35 -1.44 0.37 115.58 118.06 1ckv h ASN 49 Ca 0.25 0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 56.25 1ckv h ASN 49 Cb 0.06 0.62 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1ckv h ASN 49 CO -0.12 -0.30 -0.00 0.74 -1.65 0.00 0.00 177.43 176.11 1ckv h THR 50 N -0.10 0.00 -0.83 2.81 2.02 -1.37 -2.99 112.91 112.46 1ckv h THR 50 Ca 0.28 -0.50 0.20 0.00 0.77 0.00 0.00 66.41 67.16 1ckv h THR 50 Cb 0.57 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.83 1ckv h THR 50 CO -0.79 0.00 0.05 2.19 0.37 0.00 0.00 175.52 177.34 1ckv h PHE 51 N -0.50 0.02 -0.14 3.16 -5.15 -0.96 0.18 116.94 113.54 1ckv h PHE 51 Ca -0.00 0.06 -0.00 0.00 -0.20 0.00 0.00 57.97 57.83 1ckv h PHE 51 Cb 0.00 0.12 -0.01 0.00 0.22 0.00 0.00 35.95 36.29 1ckv h PHE 51 CO 0.00 -0.27 0.08 0.97 -2.00 0.00 0.00 178.31 177.09 1ckv h ILE 52 N 0.11 1.09 -1.00 0.88 6.09 -0.42 0.27 117.51 124.52 1ckv h ILE 52 Ca 0.47 -0.24 0.21 0.00 -1.37 0.00 0.00 64.86 63.93 1ckv h ILE 52 Cb 0.88 1.00 -0.10 0.00 0.47 0.00 0.00 36.82 39.07 1ckv h ILE 52 CO -0.71 0.08 0.62 1.05 -3.07 0.00 0.00 178.15 176.11 1ckv h GLU 53 N 0.13 0.64 0.00 2.19 -0.00 -0.56 -1.65 114.58 115.34 1ckv h GLU 53 Ca 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1ckv h GLU 53 Cb 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1ckv h GLU 53 CO -0.01 0.43 0.00 0.39 -0.00 0.00 0.00 179.01 179.82 1ckv n GLU 54 N -4.73 0.00 0.00 1.06 1.02 -0.36 -2.73 120.64 114.90 1ckv n GLU 54 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1ckv n GLU 54 Cb 0.64 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1ckv n GLU 54 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1ckv n ILE 55 N -0.18 0.00 -0.03 -3.67 0.00 0.89 0.18 119.36 116.54 1ckv n ILE 55 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 62.75 62.59 1ckv n ILE 55 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 39.64 39.56 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 0.72 0.08 9.51 4.07 -1.46 -2.97 115.31 125.26 1ckv h LEU 56 Ca 0.00 -0.62 -0.17 0.00 0.08 0.00 0.00 57.88 57.17 1ckv h LEU 56 Cb 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1ckv h LEU 56 CO 0.00 1.22 -0.82 -0.07 -1.08 0.00 0.00 178.44 177.69 1ckv h LEU 57 N 0.27 0.27 0.00 1.67 -0.00 0.17 -1.63 115.31 116.05 1ckv h LEU 57 Ca -0.03 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.96 1ckv h LEU 57 Cb 1.18 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1ckv h LEU 57 CO 0.11 1.36 0.00 0.35 -0.00 0.00 0.00 178.44 180.27 1ckv n THR 58 N -4.23 0.00 -0.01 0.22 -2.24 0.47 -2.14 114.28 106.35 1ckv n THR 58 Ca -0.18 1.37 -0.01 0.00 -2.27 0.00 0.00 64.05 62.96 1ckv n THR 58 Cb 0.74 -2.10 -0.12 0.00 -2.10 0.00 0.00 70.33 66.75 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 -2.08 0.52 -0.31 3.42 9.92 -1.14 -2.85 116.55 124.05 1ckv n ASP 59 Ca 0.00 0.23 0.14 0.00 -0.53 0.00 0.00 54.79 54.63 1ckv n ASP 59 Cb 0.00 0.65 0.60 0.00 -0.64 0.00 0.00 41.12 41.72 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 -2.76 0.00 -0.01 1.24 4.01 -0.68 -3.32 117.16 115.64 1ckv n TYR 60 Ca -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.58 1ckv n TYR 60 Cb 0.88 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.85 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 -0.32 0.06 0.10 -0.72 3.00 -0.82 -3.95 118.16 115.51 1ckv n LYS 61 Ca 0.18 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.38 1ckv n LYS 61 Cb 0.30 -0.98 -0.07 0.00 0.00 0.00 0.00 35.03 34.28 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 -0.02 -0.21 -0.05 1.64 3.64 -1.37 -3.44 116.57 116.76 1ckv h LYS 62 Ca -0.06 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.51 1ckv h LYS 62 Cb 1.08 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.78 1ckv h LYS 62 CO -0.01 -0.14 -0.04 0.54 -2.27 0.00 0.00 179.45 177.53 1ckv s ASN 63 N -5.01 -0.08 0.14 4.20 6.03 -1.23 -5.05 114.94 113.94 1ckv s ASN 63 Ca -0.14 -0.04 0.00 0.00 -1.03 0.00 0.00 52.86 51.65 1ckv s ASN 63 Cb 0.06 0.13 0.00 0.00 -3.03 0.00 0.00 41.25 38.41 1ckv s ASN 63 CO 0.66 -0.01 0.00 0.52 -2.03 0.00 0.00 177.10 176.24 1ckv n VAL 64 N 3.58 0.00 0.00 3.54 0.31 -1.21 -4.91 118.33 119.64 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 -2.77 0.00 0.12 4.52 3.02 -1.25 -5.03 115.26 113.86 1ckv n ASN 65 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1ckv n ASN 65 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.93 3.52 0.13 -1.96 -3.34 132.00 129.43 1ckv h PRO 66 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 1ckv h PRO 66 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1ckv h PRO 66 CO 0.00 0.26 0.59 0.00 -0.23 0.00 0.00 178.00 178.62 1ckv h THR 67 N 0.00 0.93 -0.07 1.56 1.03 -1.89 -3.32 112.91 111.14 1ckv h THR 67 Ca -0.04 -0.30 -0.36 0.00 -0.01 0.00 0.00 66.41 65.69 1ckv h THR 67 Cb 1.29 -0.03 0.07 0.00 -1.07 0.00 0.00 68.15 68.41 1ckv h THR 67 CO 0.04 0.16 0.95 0.52 -0.01 0.00 0.00 175.52 177.17 1ckv n VAL 68 N -4.56 0.35 -4.86 0.00 0.31 -1.25 -4.15 118.33 104.17 1ckv n VAL 68 Ca 0.17 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 1ckv n VAL 68 Cb 0.36 -2.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.10 1ckv n VAL 68 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ckv s ASN 69 N 7.32 3.77 0.11 4.52 2.20 -0.99 -4.94 114.94 126.93 1ckv s ASN 69 Ca 0.72 -0.34 -0.04 0.00 -0.94 0.00 0.00 52.86 52.26 1ckv s ASN 69 Cb 0.06 -0.66 -0.05 0.00 -2.00 0.00 0.00 41.25 38.60 1ckv s ASN 69 CO 0.25 0.30 0.33 0.54 -2.94 0.00 0.00 177.10 175.59 1ckv s VAL 70 N -0.80 5.22 -0.08 3.54 0.11 -1.26 -1.40 120.40 125.72 1ckv s VAL 70 Ca 0.13 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1ckv s VAL 70 Cb -0.10 -3.62 0.05 0.00 -1.53 0.00 0.00 36.38 31.17 1ckv s VAL 70 CO 0.02 0.09 0.16 -0.70 -3.33 0.00 0.00 175.10 171.35 1ckv s GLU 71 N -2.53 0.06 -0.35 1.54 2.12 0.34 -4.97 118.70 114.92 1ckv s GLU 71 Ca 0.38 0.51 -0.22 0.00 0.36 0.00 0.00 54.97 56.00 1ckv s GLU 71 Cb -0.12 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.05 1ckv s GLU 71 CO 0.24 -0.26 0.74 0.34 -0.54 0.00 0.00 175.26 175.78 1ckv s ASP 72 N 1.91 6.52 0.00 -1.70 2.15 -1.26 0.15 116.67 124.45 1ckv s ASP 72 Ca -0.01 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1ckv s ASP 72 Cb -0.12 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1ckv s ASP 72 CO -0.06 -0.67 0.00 -1.14 -0.17 0.00 0.00 175.17 173.13 1ckv n ARG 73 N 6.27 0.00 0.00 4.34 3.00 -1.24 -4.94 116.66 124.09 1ckv n ARG 73 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1ckv n ARG 73 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 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 -0.02 0.00 5.13 0.00 -1.26 -4.93 120.51 116.44 1ckv n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 1.73 0.00 3.89 0.00 0.00 -1.26 -5.08 105.19 104.47 1ckv n GLY 75 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.62 3.55 -0.05 1.61 2.02 -1.26 -4.29 117.35 117.31 1ckv s TYR 76 Ca 0.00 0.94 -0.30 0.00 -0.37 0.00 0.00 57.07 57.34 1ckv s TYR 76 Cb 0.00 -2.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.13 1ckv s TYR 76 CO 0.00 -0.31 1.11 -1.58 -1.57 0.00 0.00 175.55 173.20 1ckv s TRP 77 N -2.73 3.38 -0.42 2.71 0.52 -1.19 -3.72 118.94 117.49 1ckv s TRP 77 Ca 0.49 1.41 -0.17 0.00 0.02 0.00 0.00 56.10 57.85 1ckv s TRP 77 Cb -0.10 -3.31 0.02 0.00 -1.15 0.00 0.00 33.47 28.93 1ckv s TRP 77 CO 0.43 -0.78 0.44 -1.58 0.02 0.00 0.00 176.95 175.48 1ckv s TRP 78 N 1.89 3.17 -0.09 -1.98 0.52 0.41 -3.67 118.94 119.18 1ckv s TRP 78 Ca 0.53 -0.38 -0.12 0.00 0.02 0.00 0.00 56.10 56.16 1ckv s TRP 78 Cb -0.22 -2.90 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1ckv s TRP 78 CO 0.22 -0.71 0.28 0.42 0.02 0.00 0.00 176.95 177.18 1ckv s ILE 79 N 2.14 5.28 -0.03 2.03 1.09 -1.07 0.13 121.20 130.77 1ckv s ILE 79 Ca 0.12 0.53 0.03 0.00 -1.10 0.00 0.00 60.65 60.24 1ckv s ILE 79 Cb -0.17 -3.58 -0.00 0.00 -1.06 0.00 0.00 42.46 37.65 1ckv s ILE 79 CO 0.14 0.53 -0.13 -0.54 -0.10 0.00 0.00 174.94 174.84 1ckv s LYS 80 N -0.55 1.36 0.06 2.79 1.02 -0.49 -2.43 119.74 121.50 1ckv s LYS 80 Ca 0.18 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.65 1ckv s LYS 80 Cb -0.14 -1.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.94 1ckv s LYS 80 CO 0.07 0.18 0.11 0.00 -0.92 0.00 0.00 175.35 174.80 1ckv s ALA 81 N 0.10 -0.02 -0.15 5.17 0.00 0.56 -2.35 121.76 125.08 1ckv s ALA 81 Ca -0.03 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1ckv s ALA 81 Cb -0.10 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1ckv s ALA 81 CO 0.01 -0.42 -0.14 0.54 0.00 0.00 0.00 175.76 175.75 1ckv s ASN 82 N -2.66 3.86 0.00 0.00 6.03 -1.26 0.12 114.94 121.03 1ckv s ASN 82 Ca 0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 52.86 51.46 1ckv s ASN 82 Cb 0.04 -1.59 0.00 0.00 -3.03 0.00 0.00 41.25 36.67 1ckv s ASN 82 CO -0.09 0.12 0.00 0.61 -2.03 0.00 0.00 177.10 175.71 1ckv n GLY 83 N 3.84 2.08 0.00 0.45 0.00 -1.26 -4.83 105.19 105.47 1ckv n GLY 83 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.73 1.61 0.00 -1.26 -2.82 118.16 111.96 1ckv n LYS 84 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1ckv n LYS 84 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 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 0.08 -0.05 0.58 -0.00 -0.23 -5.00 121.20 114.58 1ckv s ILE 85 Ca 0.00 -0.82 -0.00 0.00 -0.00 0.00 0.00 60.65 59.82 1ckv s ILE 85 Cb 0.00 -1.31 0.03 0.00 -0.00 0.00 0.00 42.46 41.18 1ckv s ILE 85 CO 0.00 -0.39 -0.01 -1.83 -0.00 0.00 0.00 174.94 172.72 1ckv s GLU 86 N -3.84 0.54 0.10 0.37 -1.05 -1.26 0.75 118.70 114.32 1ckv s GLU 86 Ca 0.05 0.06 -0.12 0.00 -0.15 0.00 0.00 54.97 54.81 1ckv s GLU 86 Cb 0.03 -0.78 -0.06 0.00 -0.44 0.00 0.00 34.13 32.88 1ckv s GLU 86 CO -0.10 -0.20 0.47 0.08 0.95 0.00 0.00 175.26 176.46 1ckv s VAL 87 N 1.44 4.98 0.33 1.83 1.01 0.35 -4.89 120.40 125.46 1ckv s VAL 87 Ca -0.03 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1ckv s VAL 87 Cb -0.13 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 1ckv s VAL 87 CO -0.03 0.29 0.68 -1.81 0.00 0.00 0.00 175.10 174.24 1ckv s ASP 88 N -1.69 6.59 -0.41 3.32 1.01 -1.26 0.94 116.67 125.17 1ckv s ASP 88 Ca 0.34 1.06 -0.04 0.00 0.71 0.00 0.00 52.55 54.63 1ckv s ASP 88 Cb -0.15 -2.29 0.11 0.00 1.01 0.00 0.00 42.92 41.60 1ckv s ASP 88 CO 0.18 -0.26 0.22 0.00 0.21 0.00 0.00 175.17 175.52 1ckv n ASP 90 N 4.65 0.00 0.01 0.00 2.03 -1.26 -4.62 116.55 117.36 1ckv n ASP 90 Ca -0.04 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.27 1ckv n ASP 90 Cb 0.41 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ckv h GLU 91 N 0.00 -0.02 0.37 -0.67 5.08 -2.00 -2.93 114.58 114.41 1ckv h GLU 91 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ckv h GLU 91 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ckv h GLU 91 CO 0.00 -0.02 -0.18 0.97 -1.00 0.00 0.00 179.01 178.79 1ckv h ILE 92 N -0.08 0.64 -1.55 3.13 2.10 -1.87 -2.61 117.51 117.27 1ckv h ILE 92 Ca -0.00 -0.35 0.45 0.00 1.08 0.00 0.00 64.86 66.04 1ckv h ILE 92 Cb 0.02 0.81 -0.07 0.00 -1.09 0.00 0.00 36.82 36.49 1ckv h ILE 92 CO 0.00 0.07 1.10 0.77 -1.08 0.00 0.00 178.15 179.01 1ckv h SER 93 N -0.69 0.03 0.00 2.19 4.64 -1.87 0.97 113.55 118.83 1ckv h SER 93 Ca -0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ckv h SER 93 Cb 0.49 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ckv h SER 93 CO 0.08 -0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.41 1ckv n GLU 94 N -4.13 0.00 0.32 4.77 -0.58 -1.00 -0.70 120.64 119.33 1ckv n GLU 94 Ca 0.35 0.42 0.22 0.00 -0.42 0.00 0.00 57.16 57.73 1ckv n GLU 94 Cb 1.60 -1.21 1.10 0.00 -0.57 0.00 0.00 31.44 32.36 1ckv n GLU 94 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ckv h LEU 95 N 0.00 0.00 -1.44 -4.62 6.46 -1.18 0.49 115.31 115.03 1ckv h LEU 95 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ckv h LEU 95 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1ckv h LEU 95 CO 0.00 0.00 -0.16 0.18 -0.62 0.00 0.00 178.44 177.84 1ckv n LEU 96 N -3.07 2.39 0.00 2.25 7.99 0.33 -4.83 117.00 122.05 1ckv n LEU 96 Ca -0.02 -0.82 0.00 0.00 -0.01 0.00 0.00 56.01 55.16 1ckv n LEU 96 Cb 0.12 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1ckv n LEU 96 CO 0.21 0.41 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 1ckv n GLY 97 N 1.35 -1.18 1.37 -0.72 0.00 0.13 -4.95 105.19 101.19 1ckv n GLY 97 Ca 0.13 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 1ckv n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckv n ARG 98 N 0.00 0.00 -1.47 1.61 3.00 0.16 0.06 116.66 120.02 1ckv n ARG 98 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.68 1ckv n ARG 98 Cb 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 32.46 31.94 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 0.45 -1.17 0.00 5.56 6.02 -1.26 -4.97 117.38 122.01 1ckv n GLN 99 Ca 0.07 1.06 0.00 0.00 -0.01 0.00 0.00 57.00 58.13 1ckv n GLN 99 Cb 0.08 -5.27 0.00 0.00 1.02 0.00 0.00 30.24 26.08 1ckv n GLN 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ckv n PHE 100 N -2.51 -1.20 0.00 1.08 -0.00 0.11 -5.06 117.46 109.89 1ckv n PHE 100 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 1ckv n PHE 100 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.02 1ckv n PHE 100 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1ckv n ASN 101 N -0.81 0.00 0.00 -2.13 4.13 -1.26 -5.11 115.26 110.08 1ckv n ASN 101 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ckv n ASN 101 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ckv n ASN 101 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1ckv n VAL 102 N -0.58 0.00 0.27 2.41 3.14 -1.26 -4.95 118.33 117.36 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 0.42 0.00 -1.06 0.00 0.00 33.84 33.20 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 0.53 -0.36 1.45 4.01 -1.26 -3.00 117.16 118.53 1ckv n TYR 103 Ca 0.00 0.24 0.37 0.00 -0.16 0.00 0.00 57.90 58.35 1ckv n TYR 103 Cb 0.00 -0.89 0.76 0.00 -0.31 0.00 0.00 39.34 38.90 1ckv n TYR 103 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1ckv h ASP 104 N 0.00 0.00 0.55 7.72 3.58 -1.98 1.04 116.42 127.33 1ckv h ASP 104 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1ckv h ASP 104 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1ckv h ASP 104 CO 0.00 0.00 -0.56 2.19 -2.88 0.00 0.00 179.24 177.99 1ckv h PHE 105 N 0.00 0.01 -0.66 0.28 -0.00 -1.98 -3.30 116.94 111.29 1ckv h PHE 105 Ca 0.60 -0.00 -0.34 0.00 -0.00 0.00 0.00 57.97 58.22 1ckv h PHE 105 Cb 2.41 -0.00 -0.41 0.00 -0.00 0.00 0.00 35.95 37.95 1ckv h PHE 105 CO 0.00 0.57 -1.05 -0.11 -0.00 0.00 0.00 178.31 177.72 1ckv n LEU 106 N -3.88 2.42 -0.00 2.10 0.00 0.30 -4.69 117.00 113.25 1ckv n LEU 106 Ca -0.01 -3.62 -0.20 0.00 0.00 0.00 0.00 56.01 52.18 1ckv n LEU 106 Cb 0.57 0.25 -0.14 0.00 0.00 0.00 0.00 43.42 44.10 1ckv n LEU 106 CO 0.41 1.41 -0.13 1.62 0.00 0.00 0.00 177.39 180.71 1ckv h VAL 107 N 4.29 1.32 0.00 1.96 3.04 0.20 -3.44 116.25 123.63 1ckv h VAL 107 Ca -0.00 -2.42 -0.13 0.00 -1.01 0.00 0.00 66.70 63.13 1ckv h VAL 107 Cb 1.29 2.96 -0.13 0.00 -2.01 0.00 0.00 31.29 33.40 1ckv h VAL 107 CO 0.39 0.65 -0.29 0.47 -1.01 0.00 0.00 177.57 177.79 1ckv n ASP 108 N -4.16 -1.04 -4.53 3.17 8.00 -1.26 -5.07 116.55 111.66 1ckv n ASP 108 Ca -0.19 -2.02 -0.29 0.00 0.71 0.00 0.00 54.79 53.00 1ckv n ASP 108 Cb 0.78 0.34 0.22 0.00 -0.02 0.00 0.00 41.12 42.44 1ckv n ASP 108 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ckv n VAL 109 N -0.16 0.00 -0.20 2.53 0.24 -1.26 -4.90 118.33 114.58 1ckv n VAL 109 Ca -0.27 -0.29 0.01 0.00 -2.04 0.00 0.00 64.34 61.74 1ckv n VAL 109 Cb 0.72 -0.97 0.11 0.00 -1.47 0.00 0.00 33.84 32.23 1ckv n VAL 109 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ckv h SER 110 N -2.40 0.10 -4.76 -1.34 0.02 -1.96 -3.46 113.55 99.74 1ckv h SER 110 Ca -0.55 0.10 0.27 0.00 -0.84 0.00 0.00 61.79 60.76 1ckv h SER 110 Cb 1.31 0.11 -0.16 0.00 0.14 0.00 0.00 62.40 63.81 1ckv h SER 110 CO 0.46 0.06 0.79 -0.44 -1.14 0.00 0.00 176.83 176.55 1ckv s SER 111 N -5.33 -0.13 -0.32 3.07 0.01 -1.08 -5.07 113.70 104.85 1ckv s SER 111 Ca -0.13 -0.06 -0.09 0.00 1.31 0.00 0.00 55.95 56.98 1ckv s SER 111 Cb 0.18 0.17 0.20 0.00 0.21 0.00 0.00 66.02 66.78 1ckv s SER 111 CO 0.74 -0.30 1.10 0.42 0.41 0.00 0.00 173.24 175.62 1ckv s THR 112 N -2.49 -0.14 -0.14 1.44 -4.23 -1.26 -2.19 115.64 106.63 1ckv s THR 112 Ca 0.11 -0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 1ckv s THR 112 Cb 0.01 0.00 -0.06 0.00 1.34 0.00 0.00 72.50 73.79 1ckv s THR 112 CO -0.04 0.00 2.12 -0.63 -0.54 0.00 0.00 174.62 175.53 1ckv s ILE 113 N 1.50 3.03 0.00 2.99 -1.09 0.35 -4.77 121.20 123.21 1ckv s ILE 113 Ca 0.19 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1ckv s ILE 113 Cb 0.09 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1ckv s ILE 113 CO -0.13 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.17 1ckv n GLY 114 N 5.34 4.84 3.66 6.18 0.00 -1.26 -2.14 105.19 121.80 1ckv n GLY 114 Ca 0.26 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1ckv n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ckv s ARG 115 N -4.39 4.24 -0.23 1.61 3.52 0.44 -4.73 118.95 119.41 1ckv s ARG 115 Ca 0.00 1.35 -0.10 0.00 -0.13 0.00 0.00 55.73 56.86 1ckv s ARG 115 Cb 0.00 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1ckv s ARG 115 CO 0.00 -0.66 0.13 0.00 -0.81 0.00 0.00 175.30 173.96 1ckv s ALA 116 N 3.27 3.53 -0.13 6.12 0.00 -1.26 0.07 121.76 133.36 1ckv s ALA 116 Ca 0.45 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1ckv s ALA 116 Cb -0.15 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1ckv s ALA 116 CO 0.08 -0.16 -0.02 1.52 0.00 0.00 0.00 175.76 177.18 1ckv s TYR 117 N 1.00 1.14 0.62 0.00 -0.85 -0.67 -4.99 117.35 113.61 1ckv s TYR 117 Ca 0.07 -0.65 -0.09 0.00 -0.52 0.00 0.00 57.07 55.88 1ckv s TYR 117 Cb -0.14 -1.05 -0.00 0.00 0.38 0.00 0.00 41.96 41.15 1ckv s TYR 117 CO 0.04 -0.49 0.98 -0.08 -1.52 0.00 0.00 175.55 174.47 1ckv s THR 118 N 1.82 3.96 -0.30 -3.49 -1.32 -1.26 -2.20 115.64 112.84 1ckv s THR 118 Ca 0.03 0.36 -0.13 0.00 -1.21 0.00 0.00 61.69 60.74 1ckv s THR 118 Cb -0.14 -3.59 0.17 0.00 -1.51 0.00 0.00 72.50 67.43 1ckv s THR 118 CO -0.07 -0.70 0.97 -1.48 -2.21 0.00 0.00 174.62 171.13 1ckv s LEU 119 N -5.12 -0.62 0.00 9.08 0.05 -1.24 -4.96 118.68 115.86 1ckv s LEU 119 Ca 0.55 0.62 0.00 0.00 0.05 0.00 0.00 54.13 55.35 1ckv s LEU 119 Cb -0.11 1.61 0.00 0.00 -2.05 0.00 0.00 46.19 45.65 1ckv s LEU 119 CO 0.49 -0.12 0.00 0.61 -0.55 0.00 0.00 176.35 176.78 1ckv n GLY 120 N 5.19 1.03 2.53 -3.48 0.00 -1.26 -3.40 105.19 105.81 1ckv n GLY 120 Ca -0.07 0.46 -0.28 0.00 0.00 0.00 0.00 46.02 46.12 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 2.60 0.00 1.61 2.47 -1.26 -5.01 114.94 111.35 1ckv s ASN 121 Ca 0.00 -2.94 0.00 0.00 0.42 0.00 0.00 52.86 50.34 1ckv s ASN 121 Cb 0.00 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 39.09 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 3.06 0.00 -3.60 0.43 5.02 -1.22 -4.26 118.16 117.59 1ckv n LYS 122 Ca 0.21 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.13 1ckv n LYS 122 Cb 0.42 0.00 -0.06 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 3.69 -0.17 2.13 -0.71 0.27 -3.69 117.98 119.50 1ckv s PHE 123 Ca 0.00 0.86 -0.03 0.00 -1.04 0.00 0.00 56.93 56.72 1ckv s PHE 123 Cb 0.00 -2.20 -0.02 0.00 -1.21 0.00 0.00 43.02 39.59 1ckv s PHE 123 CO 0.00 0.66 -0.07 0.99 -1.34 0.00 0.00 175.22 175.46 1ckv s THR 124 N -1.02 3.50 -0.26 -4.49 2.01 -0.94 0.13 115.64 114.58 1ckv s THR 124 Ca 0.21 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1ckv s THR 124 Cb -0.15 -2.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1ckv s THR 124 CO 0.11 0.48 0.04 -0.63 -0.69 0.00 0.00 174.62 173.93 1ckv s ILE 125 N 0.67 3.92 0.22 1.82 1.09 0.23 -1.68 121.20 127.47 1ckv s ILE 125 Ca -0.04 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1ckv s ILE 125 Cb -0.15 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.32 1ckv s ILE 125 CO 0.02 0.27 0.41 0.28 -0.10 0.00 0.00 174.94 175.82 1ckv s THR 126 N 1.53 5.20 0.00 2.92 -1.32 0.11 -1.07 115.64 123.01 1ckv s THR 126 Ca 0.05 -0.44 0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1ckv s THR 126 Cb -0.16 -3.76 0.09 0.00 -1.51 0.00 0.00 72.50 67.16 1ckv s THR 126 CO 0.01 -0.24 0.89 -1.20 -2.21 0.00 0.00 174.62 171.88 1ckv n SER 127 N -0.88 0.03 -1.44 8.08 7.64 -1.13 0.17 113.62 126.09 1ckv n SER 127 Ca -0.05 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.11 1ckv n SER 127 Cb 0.54 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.10 2.27 -2.13 1.43 -0.58 -1.13 -4.46 120.64 116.15 1ckv n GLU 128 Ca -0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 1ckv n GLU 128 Cb 0.74 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.59 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 -5.48 -0.38 -4.62 4.32 -1.26 -4.96 117.00 104.62 1ckv n LEU 129 Ca 0.00 2.09 0.06 0.00 -0.02 0.00 0.00 56.01 58.15 1ckv n LEU 129 Cb 0.00 -2.75 0.14 0.00 -1.62 0.00 0.00 43.42 39.19 1ckv n LEU 129 CO 0.00 -2.52 0.60 0.23 -1.22 0.00 0.00 177.39 174.48 1ckv n MET 130 N 1.39 2.43 0.00 3.23 2.81 -1.26 -5.02 117.12 120.70 1ckv n MET 130 Ca -0.10 -2.29 0.00 0.00 -1.81 0.00 0.00 57.70 53.51 1ckv n MET 130 Cb 0.15 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1ckv n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ckv n GLY 131 N -0.60 1.92 2.00 3.03 0.00 -1.26 -5.12 105.19 105.16 1ckv n GLY 131 Ca 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -0.22 -1.95 0.99 4.32 -1.26 -5.03 117.00 113.86 1ckv n LEU 132 Ca 0.00 0.49 -0.21 0.00 -0.02 0.00 0.00 56.01 56.27 1ckv n LEU 132 Cb 0.00 0.44 -0.05 0.00 -1.62 0.00 0.00 43.42 42.19 1ckv n LEU 132 CO 0.00 -0.77 -0.23 0.47 -1.22 0.00 0.00 177.39 175.64 1ckv n ASP 133 N -3.45 -5.69 0.31 -1.43 8.00 -1.26 -4.89 116.55 108.15 1ckv n ASP 133 Ca 0.00 0.27 -0.15 0.00 0.71 0.00 0.00 54.79 55.63 1ckv n ASP 133 Cb 0.00 -4.87 -0.07 0.00 -0.02 0.00 0.00 41.12 36.16 1ckv n ASP 133 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ckv h ARG 134 N 0.00 -0.79 -0.31 -1.24 9.65 -1.96 -3.33 114.38 116.40 1ckv h ARG 134 Ca -0.46 0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.28 1ckv h ARG 134 Cb 1.36 0.18 -0.14 0.00 -1.39 0.00 0.00 29.97 29.98 1ckv h ARG 134 CO 0.61 -0.48 -0.39 1.63 2.80 0.00 0.00 179.97 184.14 1ckv n LYS 135 N -5.34 2.14 0.00 0.20 4.01 -1.26 -4.62 118.16 113.28 1ckv n LYS 135 Ca -0.11 -3.46 0.00 0.00 -0.51 0.00 0.00 58.31 54.23 1ckv n LYS 135 Cb 0.35 -1.85 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1ckv n LYS 135 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1ckv n LEU 136 N -1.03 0.00 -0.58 -0.35 7.94 -1.25 -4.85 117.00 116.88 1ckv n LEU 136 Ca 0.31 0.00 0.46 0.00 -1.11 0.00 0.00 56.01 55.66 1ckv n LEU 136 Cb 0.86 0.00 0.75 0.00 0.53 0.00 0.00 43.42 45.56 1ckv n LEU 136 CO 0.16 0.00 1.37 1.05 -1.11 0.00 0.00 177.39 178.85 1ckv h GLU 137 N 0.00 0.02 -4.37 1.96 4.11 -1.95 -3.22 114.58 111.13 1ckv h GLU 137 Ca 0.00 -0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.71 1ckv h GLU 137 Cb 0.00 -0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 1ckv h GLU 137 CO 0.00 0.01 -0.43 0.16 0.07 0.00 0.00 179.01 178.82 1ckv s ASP 138 N -4.17 5.67 0.15 3.06 -4.77 -1.26 -5.02 116.67 110.33 1ckv s ASP 138 Ca -0.06 -1.73 -0.13 0.00 -3.30 0.00 0.00 52.55 47.33 1ckv s ASP 138 Cb 0.28 -2.00 0.05 0.00 -1.09 0.00 0.00 42.92 40.16 1ckv s ASP 138 CO 0.86 -0.62 0.65 0.00 0.70 0.00 0.00 175.17 176.76 1ckv n TYR 139 N 4.91 -1.26 -3.64 2.11 4.11 -1.22 -4.41 117.16 117.76 1ckv n TYR 139 Ca -0.09 -0.92 -0.04 0.00 -0.00 0.00 0.00 57.90 56.85 1ckv n TYR 139 Cb 0.42 0.45 -0.06 0.00 -0.00 0.00 0.00 39.34 40.15 1ckv n TYR 139 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 1ckv s HIS 140 N -3.65 -1.15 -2.66 -3.48 3.76 -1.26 -5.08 115.29 101.77 1ckv s HIS 140 Ca 0.14 2.15 0.27 0.00 -0.15 0.00 0.00 55.06 57.47 1ckv s HIS 140 Cb -0.02 0.69 0.78 0.00 1.11 0.00 0.00 32.58 35.14 1ckv s HIS 140 CO 0.04 -0.57 1.59 0.00 -0.85 0.00 0.00 174.74 174.96