#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 -0.14 0.11 7.83 0.15 -1.26 -5.02 113.70 115.37 1ckv s SER 2 Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1ckv s SER 2 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 1ckv s SER 2 CO 0.00 -4.83 0.00 0.52 1.20 0.00 0.00 173.24 170.13 1ckv n VAL 3 N -5.30 0.11 -3.95 4.45 0.31 -1.26 -5.08 118.33 107.61 1ckv n VAL 3 Ca 0.08 0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 64.09 1ckv n VAL 3 Cb 0.58 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.70 1ckv n VAL 3 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ckv s ASN 4 N -5.09 5.91 -0.02 4.52 -0.87 -1.26 -5.02 114.94 113.11 1ckv s ASN 4 Ca 0.00 0.22 -0.21 0.00 -1.57 0.00 0.00 52.86 51.29 1ckv s ASN 4 Cb 0.00 -1.96 -0.14 0.00 -0.02 0.00 0.00 41.25 39.12 1ckv s ASN 4 CO 0.00 0.26 0.95 0.77 -2.57 0.00 0.00 177.10 176.51 1ckv h SER 5 N 6.10 -0.35 -5.10 -1.22 4.64 -2.06 -3.49 113.55 112.08 1ckv h SER 5 Ca -0.44 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1ckv h SER 5 Cb 1.18 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1ckv h SER 5 CO 0.67 0.10 -1.21 0.59 -0.87 0.00 0.00 176.83 176.11 1ckv n ASN 6 N -5.08 -5.43 -4.79 4.97 3.02 -1.26 -4.98 115.26 101.72 1ckv n ASN 6 Ca -0.08 1.42 -0.30 0.00 -0.03 0.00 0.00 54.58 55.58 1ckv n ASN 6 Cb 0.26 -5.35 0.09 0.00 -0.61 0.00 0.00 39.78 34.18 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 -1.31 2.21 0.86 5.41 0.00 -1.26 -5.03 121.76 122.62 1ckv s ALA 7 Ca -0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1ckv s ALA 7 Cb 0.01 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 20.08 1ckv s ALA 7 CO 0.80 -1.75 1.11 -0.47 0.00 0.00 0.00 175.76 175.44 1ckv s TYR 8 N -3.07 2.61 -0.49 0.00 5.04 -1.26 -4.21 117.35 115.98 1ckv s TYR 8 Ca 0.61 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1ckv s TYR 8 Cb -0.15 -3.21 0.07 0.00 0.35 0.00 0.00 41.96 39.02 1ckv s TYR 8 CO 0.55 -2.11 0.83 -0.25 -1.34 0.00 0.00 175.55 173.23 1ckv n ASP 9 N -3.65 0.03 0.12 4.32 9.92 -1.26 0.21 116.55 126.25 1ckv n ASP 9 Ca 0.07 0.30 0.12 0.00 -0.53 0.00 0.00 54.79 54.75 1ckv n ASP 9 Cb 0.57 -0.30 0.21 0.00 -0.64 0.00 0.00 41.12 40.97 1ckv n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckv h ALA 10 N 1.10 0.79 0.00 2.24 0.00 -2.03 -3.36 119.26 118.00 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 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ckv h ALA 10 CO 0.00 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.49 1ckv n GLY 11 N 1.25 0.69 0.34 0.00 0.00 0.58 -4.75 105.19 103.29 1ckv n GLY 11 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.30 -0.15 -0.61 -0.00 -0.13 1.40 117.51 118.33 1ckv h ILE 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1ckv h ILE 12 Cb 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 36.82 37.66 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 -3.51 1.39 0.00 0.16 0.00 -1.26 -1.89 117.12 112.01 1ckv n MET 13 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 57.70 57.10 1ckv n MET 13 Cb 0.29 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.31 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 0.84 0.00 0.00 3.03 0.00 0.40 -3.61 105.19 105.85 1ckv n GLY 14 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ckv n GLY 14 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ckv n LEU 15 N -1.55 0.57 -1.24 0.99 -0.00 0.30 -2.85 117.00 113.21 1ckv n LEU 15 Ca 0.00 0.57 0.11 0.00 -0.00 0.00 0.00 56.01 56.69 1ckv n LEU 15 Cb 0.11 -0.28 0.29 0.00 -0.00 0.00 0.00 43.42 43.54 1ckv n LEU 15 CO 0.00 -0.28 0.75 0.29 -0.00 0.00 0.00 177.39 178.14 1ckv n LYS 16 N -1.35 2.69 -0.02 1.96 4.01 -1.25 -4.25 118.16 119.96 1ckv n LYS 16 Ca 0.00 -2.53 0.00 0.00 -0.51 0.00 0.00 58.31 55.27 1ckv n LYS 16 Cb 0.00 -1.53 -0.05 0.00 -0.51 0.00 0.00 35.03 32.94 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 1.50 -0.31 2.66 0.72 0.00 -0.79 -4.85 105.19 104.12 1ckv n GLY 17 Ca 0.22 -0.13 -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 -2.31 1.38 0.00 1.61 2.36 -1.13 -4.78 119.74 116.86 1ckv s LYS 18 Ca -0.03 -2.25 0.00 0.00 -2.55 0.00 0.00 55.97 51.14 1ckv s LYS 18 Cb 0.03 -2.26 0.00 0.00 -1.05 0.00 0.00 37.83 34.55 1ckv s LYS 18 CO 0.27 -1.24 0.42 -3.47 1.55 0.00 0.00 175.35 172.88 1ckv n ASP 19 N 3.10 0.75 -1.28 1.43 2.03 -1.26 -4.51 116.55 116.81 1ckv n ASP 19 Ca 0.16 -1.15 -0.17 0.00 0.52 0.00 0.00 54.79 54.15 1ckv n ASP 19 Cb 0.38 0.00 -0.07 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 -0.07 0.00 -0.25 -0.67 7.35 -1.26 -4.95 117.46 117.60 1ckv n PHE 20 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1ckv n PHE 20 Cb 0.16 -3.17 0.24 0.00 0.35 0.00 0.00 39.48 37.06 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 1.31 -4.24 -1.05 3.13 0.00 -1.26 -3.65 120.51 114.76 1ckv n ALA 21 Ca -0.17 -1.28 -0.02 0.00 0.00 0.00 0.00 53.44 51.98 1ckv n ALA 21 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -5.29 -5.22 -0.05 0.00 2.03 -1.26 -4.65 116.55 102.11 1ckv n ASP 22 Ca 0.12 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1ckv n ASP 22 Cb 0.50 -2.87 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 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 -0.27 0.00 -0.11 -0.67 6.02 -1.24 -4.91 117.38 116.20 1ckv n GLN 23 Ca -0.02 -0.41 -0.18 0.00 -0.01 0.00 0.00 57.00 56.38 1ckv n GLN 23 Cb 0.39 -0.37 -0.06 0.00 1.02 0.00 0.00 30.24 31.22 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 0.00 0.11 -4.05 1.08 3.01 -1.26 -4.91 117.46 111.45 1ckv n PHE 24 Ca 0.00 0.05 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 1ckv n PHE 24 Cb 0.51 -0.76 -0.15 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.67 3.10 0.00 1.38 0.08 -1.26 -5.07 117.98 113.53 1ckv s PHE 25 Ca -0.32 -2.21 0.00 0.00 0.12 0.00 0.00 56.93 54.52 1ckv s PHE 25 Cb 0.09 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1ckv s PHE 25 CO 0.45 -0.86 0.00 0.00 -0.10 0.00 0.00 175.22 174.71 1ckv n ALA 26 N 4.48 0.00 0.29 5.36 0.00 -1.26 -4.40 120.51 124.98 1ckv n ALA 26 Ca -0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.48 1ckv n ALA 26 Cb 0.43 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.80 1ckv n ALA 26 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ckv h ASP 27 N 0.00 0.00 0.51 0.00 2.03 -2.01 0.23 116.42 117.18 1ckv h ASP 27 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ckv h ASP 27 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ckv h ASP 27 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 179.24 177.88 1ckv h GLU 28 N 0.00 0.00 -0.06 4.15 5.08 -1.98 -3.41 114.58 118.37 1ckv h GLU 28 Ca 0.03 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.68 1ckv h GLU 28 Cb 0.47 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.52 1ckv h GLU 28 CO -0.00 0.00 0.22 -0.80 -1.00 0.00 0.00 179.01 177.43 1ckv s ASN 29 N -5.40 -0.08 0.54 1.42 0.01 0.80 -5.12 114.94 107.11 1ckv s ASN 29 Ca -0.02 0.04 -0.03 0.00 -0.71 0.00 0.00 52.86 52.14 1ckv s ASN 29 Cb 0.11 1.06 0.01 0.00 0.41 0.00 0.00 41.25 42.84 1ckv s ASN 29 CO 0.47 -0.02 0.81 -1.10 -1.51 0.00 0.00 177.10 175.76 1ckv s GLN 30 N 2.99 2.88 0.21 -0.60 -1.52 -1.21 -4.47 119.66 117.94 1ckv s GLN 30 Ca 0.05 -0.29 -0.17 0.00 -1.95 0.00 0.00 55.36 53.00 1ckv s GLN 30 Cb -0.05 -2.40 -0.08 0.00 -0.22 0.00 0.00 33.01 30.26 1ckv s GLN 30 CO -0.12 -0.58 0.67 0.54 -0.25 0.00 0.00 175.29 175.54 1ckv s VAL 31 N -2.82 4.68 -0.11 1.09 0.11 -1.26 -5.08 120.40 117.01 1ckv s VAL 31 Ca 0.53 1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 60.64 1ckv s VAL 31 Cb -0.10 -3.78 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1ckv s VAL 31 CO 0.42 0.16 -0.06 0.54 -3.33 0.00 0.00 175.10 172.83 1ckv s VAL 32 N -1.57 3.77 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.12 1ckv s VAL 32 Ca 0.43 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1ckv s VAL 32 Cb -0.15 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1ckv s VAL 32 CO 0.20 0.55 0.04 -1.38 -3.33 0.00 0.00 175.10 171.18 1ckv s HIS 33 N -0.20 3.12 -0.65 1.54 -3.43 -1.26 -4.75 115.29 109.66 1ckv s HIS 33 Ca 0.03 -1.12 -0.08 0.00 -0.80 0.00 0.00 55.06 53.09 1ckv s HIS 33 Cb -0.13 -2.20 0.01 0.00 -1.43 0.00 0.00 32.58 28.83 1ckv s HIS 33 CO 0.03 -0.61 0.16 0.39 -2.00 0.00 0.00 174.74 172.70 1ckv n GLU 34 N 4.81 -0.81 -2.29 -0.38 1.02 -1.26 -4.80 120.64 116.92 1ckv n GLU 34 Ca -0.15 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.46 1ckv n GLU 34 Cb 0.48 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 1ckv n GLU 34 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ckv s SER 35 N -3.97 6.94 -0.09 1.62 1.04 -1.26 -4.91 113.70 113.07 1ckv s SER 35 Ca 0.12 2.15 0.13 0.00 0.48 0.00 0.00 55.95 58.82 1ckv s SER 35 Cb -0.06 -2.58 -0.18 0.00 0.10 0.00 0.00 66.02 63.29 1ckv s SER 35 CO 0.47 -0.58 0.14 -0.67 0.98 0.00 0.00 173.24 173.58 1ckv n ASP 36 N 4.19 1.76 -4.77 7.02 2.03 -1.26 -4.99 116.55 120.53 1ckv n ASP 36 Ca 0.11 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.01 1ckv n ASP 36 Cb 0.44 1.13 -0.02 0.00 -0.72 0.00 0.00 41.12 41.95 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ckv s THR 37 N -2.56 2.81 -0.16 5.18 2.01 -1.26 -4.24 115.64 117.41 1ckv s THR 37 Ca -0.06 0.78 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 1ckv s THR 37 Cb 0.06 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1ckv s THR 37 CO 0.56 0.17 0.25 -0.69 -0.69 0.00 0.00 174.62 174.21 1ckv s VAL 38 N -1.19 5.33 -0.01 3.82 1.01 0.92 -4.95 120.40 125.34 1ckv s VAL 38 Ca 0.51 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.98 1ckv s VAL 38 Cb -0.38 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1ckv s VAL 38 CO 0.50 0.43 -0.13 -0.69 0.00 0.00 0.00 175.10 175.20 1ckv s VAL 39 N 0.27 1.04 -0.28 2.92 1.01 -1.10 0.68 120.40 124.94 1ckv s VAL 39 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1ckv s VAL 39 Cb -0.13 -0.87 0.08 0.00 0.00 0.00 0.00 36.38 35.47 1ckv s VAL 39 CO 0.03 0.29 0.04 -0.22 0.00 0.00 0.00 175.10 175.24 1ckv s LEU 40 N -0.32 2.61 -0.17 3.92 2.96 -0.79 0.19 118.68 127.09 1ckv s LEU 40 Ca 0.05 -1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 52.46 1ckv s LEU 40 Cb -0.05 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1ckv s LEU 40 CO -0.00 -0.34 -0.07 0.68 -1.32 0.00 0.00 176.35 175.29 1ckv s VAL 41 N 1.47 3.43 -0.00 1.68 -7.23 0.85 -2.30 120.40 118.29 1ckv s VAL 41 Ca 0.04 -0.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1ckv s VAL 41 Cb -0.18 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1ckv s VAL 41 CO -0.14 0.48 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.19 1ckv s LEU 42 N 0.71 2.06 -0.20 1.32 1.43 -1.25 -2.75 118.68 120.00 1ckv s LEU 42 Ca -0.04 -0.34 -0.37 0.00 -1.03 0.00 0.00 54.13 52.35 1ckv s LEU 42 Cb -0.15 -0.88 -0.13 0.00 0.03 0.00 0.00 46.19 45.06 1ckv s LEU 42 CO 0.02 0.20 1.86 0.29 0.23 0.00 0.00 176.35 178.94 1ckv n LYS 43 N 2.52 1.66 -1.52 1.70 5.02 -1.26 -3.71 118.16 122.56 1ckv n LYS 43 Ca -0.15 0.60 -0.23 0.00 -2.02 0.00 0.00 58.31 56.51 1ckv n LYS 43 Cb 0.54 -2.41 -0.16 0.00 -0.02 0.00 0.00 35.03 32.98 1ckv n LYS 43 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ckv n LYS 44 N 6.30 0.22 -4.50 1.97 3.00 -1.26 -4.74 118.16 119.15 1ckv n LYS 44 Ca 0.26 -0.24 -0.23 0.00 -0.00 0.00 0.00 58.31 58.10 1ckv n LYS 44 Cb 0.22 -1.97 -0.11 0.00 0.00 0.00 0.00 35.03 33.17 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 4.98 2.87 0.00 3.14 0.01 -1.26 -4.98 113.70 118.46 1ckv s SER 45 Ca 1.20 -1.35 0.07 0.00 1.31 0.00 0.00 55.95 57.17 1ckv s SER 45 Cb -0.66 -0.19 0.42 0.00 0.21 0.00 0.00 66.02 65.80 1ckv s SER 45 CO 0.41 -0.53 0.83 0.47 0.41 0.00 0.00 173.24 174.83 1ckv n ASP 46 N -0.76 0.00 -0.07 2.44 8.00 -1.26 -2.76 116.55 122.14 1ckv n ASP 46 Ca -0.03 -0.48 -0.06 0.00 0.71 0.00 0.00 54.79 54.93 1ckv n ASP 46 Cb 0.66 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.74 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 -0.82 0.46 -0.25 -1.24 2.13 -1.26 -4.04 120.64 115.62 1ckv n GLU 47 Ca 0.05 0.54 0.01 0.00 0.66 0.00 0.00 57.16 58.42 1ckv n GLU 47 Cb 0.02 -1.70 0.13 0.00 0.27 0.00 0.00 31.44 30.16 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 -1.00 0.89 -0.63 6.31 5.03 -1.81 -2.37 117.51 123.93 1ckv h ILE 48 Ca -0.02 -0.23 0.06 0.00 -0.12 0.00 0.00 64.86 64.55 1ckv h ILE 48 Cb 0.56 0.17 -0.09 0.00 -3.03 0.00 0.00 36.82 34.43 1ckv h ILE 48 CO -0.01 0.12 -0.49 0.78 -0.68 0.00 0.00 178.15 177.87 1ckv h ASN 49 N 0.66 -1.72 0.00 1.72 2.35 -1.74 0.22 115.58 117.07 1ckv h ASN 49 Ca 0.34 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.34 1ckv h ASN 49 Cb 0.32 0.74 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1ckv h ASN 49 CO -0.24 -0.26 0.00 0.41 -1.65 0.00 0.00 177.43 175.69 1ckv n THR 50 N -4.92 0.00 -0.32 2.81 -1.04 -1.04 -2.85 114.28 106.92 1ckv n THR 50 Ca -0.00 0.81 -0.08 0.00 -2.04 0.00 0.00 64.05 62.73 1ckv n THR 50 Cb 0.25 -1.58 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 1ckv n THR 50 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1ckv n PHE 51 N -1.19 -0.34 -0.32 -1.42 1.16 -0.92 0.70 117.46 115.14 1ckv n PHE 51 Ca 0.00 0.95 0.12 0.00 -1.87 0.00 0.00 57.45 56.65 1ckv n PHE 51 Cb 0.00 -0.56 0.25 0.00 -1.61 0.00 0.00 39.48 37.57 1ckv n PHE 51 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 1ckv h ILE 52 N 0.00 0.12 0.14 1.97 6.09 -1.11 0.86 117.51 125.58 1ckv h ILE 52 Ca 0.12 -0.02 0.01 0.00 -1.37 0.00 0.00 64.86 63.61 1ckv h ILE 52 Cb 0.31 0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.64 1ckv h ILE 52 CO -0.72 0.01 -0.21 1.05 -3.07 0.00 0.00 178.15 175.21 1ckv h GLU 53 N 0.05 -0.40 0.00 2.19 4.11 0.42 -2.83 114.58 118.12 1ckv h GLU 53 Ca 0.55 0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.00 1ckv h GLU 53 Cb 1.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ckv h GLU 53 CO -0.85 -0.27 0.00 0.39 0.07 0.00 0.00 179.01 178.36 1ckv n GLU 54 N -5.34 0.00 0.00 1.06 1.02 0.28 -2.60 120.64 115.06 1ckv n GLU 54 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1ckv n GLU 54 Cb 0.25 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.00 0.00 0.00 -3.67 0.00 0.11 0.18 119.36 115.98 1ckv n ILE 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1ckv n ILE 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 1ckv n ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ckv n LEU 56 N -3.56 0.14 0.17 9.51 4.32 -1.07 -3.05 117.00 123.47 1ckv n LEU 56 Ca 0.00 0.65 0.13 0.00 -0.02 0.00 0.00 56.01 56.77 1ckv n LEU 56 Cb 0.00 -0.19 0.61 0.00 -1.62 0.00 0.00 43.42 42.22 1ckv n LEU 56 CO 0.00 -0.19 0.88 -0.07 -1.22 0.00 0.00 177.39 176.79 1ckv h LEU 57 N 0.00 0.00 0.00 2.23 -0.00 -1.04 0.23 115.31 116.73 1ckv h LEU 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ckv h LEU 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ckv h LEU 57 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 178.79 1ckv n THR 58 N -2.37 0.00 0.02 0.22 -2.24 0.49 -2.64 114.28 107.75 1ckv n THR 58 Ca -0.00 1.06 -0.10 0.00 -2.27 0.00 0.00 64.05 62.74 1ckv n THR 58 Cb 0.12 -1.97 -0.13 0.00 -2.10 0.00 0.00 70.33 66.25 1ckv n THR 58 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ckv h ASP 59 N 0.00 0.09 0.72 3.42 3.04 -1.57 -2.93 116.42 119.19 1ckv h ASP 59 Ca 0.00 -0.14 -0.14 0.00 -3.24 0.00 0.00 57.03 53.52 1ckv h ASP 59 Cb 0.00 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 38.24 1ckv h ASP 59 CO 0.00 1.12 -0.65 1.88 -2.04 0.00 0.00 179.24 179.55 1ckv h TYR 60 N 0.02 0.00 0.09 4.15 0.05 -0.68 -2.44 116.97 118.15 1ckv h TYR 60 Ca -0.19 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.33 1ckv h TYR 60 Cb 1.94 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.67 1ckv h TYR 60 CO 0.01 0.65 -1.31 -0.22 -1.05 0.00 0.00 178.16 176.24 1ckv h LYS 61 N 0.00 0.18 -0.09 4.88 1.63 -1.47 -2.61 116.57 119.10 1ckv h LYS 61 Ca -0.01 -0.32 0.03 0.00 -0.85 0.00 0.00 60.65 59.51 1ckv h LYS 61 Cb 1.18 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 1ckv h LYS 61 CO 0.08 1.15 -0.13 -0.22 -3.45 0.00 0.00 179.45 176.88 1ckv h LYS 62 N -0.45 -0.17 0.00 1.90 3.64 -1.57 -3.44 116.57 116.47 1ckv h LYS 62 Ca -0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1ckv h LYS 62 Cb 1.64 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1ckv h LYS 62 CO 0.01 -0.11 0.00 0.27 -2.27 0.00 0.00 179.45 177.35 1ckv n ASN 63 N -5.27 0.00 0.02 4.20 2.04 -0.93 -5.06 115.26 110.26 1ckv n ASN 63 Ca -0.04 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.10 1ckv n ASN 63 Cb 0.19 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 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 -1.19 -4.73 118.33 116.25 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -2.63 0.00 0.10 4.52 4.13 -0.98 -5.02 115.26 115.38 1ckv n ASN 65 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 1ckv n ASN 65 Cb 0.00 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.40 1ckv n ASN 65 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1ckv h PRO 66 N 0.00 0.00 -0.98 3.52 0.13 -1.96 -3.35 132.00 129.36 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 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 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 0.95 0.00 1.56 1.03 -1.92 -3.27 112.91 111.26 1ckv h THR 67 Ca 0.00 -0.34 -0.45 0.00 -0.01 0.00 0.00 66.41 65.61 1ckv h THR 67 Cb 0.84 -0.13 0.06 0.00 -1.07 0.00 0.00 68.15 67.85 1ckv h THR 67 CO 0.00 0.18 1.89 0.55 -0.01 0.00 0.00 175.52 178.13 1ckv n VAL 68 N -4.58 1.15 -3.95 0.00 3.14 -1.25 -4.14 118.33 108.70 1ckv n VAL 68 Ca 0.18 -0.85 -0.35 0.00 -2.96 0.00 0.00 64.34 60.36 1ckv n VAL 68 Cb 0.33 -2.04 -0.06 0.00 -1.06 0.00 0.00 33.84 31.01 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 5.14 6.21 0.13 6.55 4.22 -0.79 -4.84 114.94 131.57 1ckv s ASN 69 Ca 0.45 0.35 -0.05 0.00 -2.14 0.00 0.00 52.86 51.48 1ckv s ASN 69 Cb 0.11 -1.94 -0.06 0.00 1.28 0.00 0.00 41.25 40.64 1ckv s ASN 69 CO 0.12 0.33 0.37 0.54 -2.04 0.00 0.00 177.10 176.41 1ckv s VAL 70 N -1.17 5.17 -0.08 3.54 0.11 -1.26 -1.50 120.40 125.22 1ckv s VAL 70 Ca 0.21 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1ckv s VAL 70 Cb -0.12 -3.62 0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1ckv s VAL 70 CO 0.11 0.06 0.16 -0.70 -3.33 0.00 0.00 175.10 171.40 1ckv s GLU 71 N -2.60 0.07 -0.34 1.54 2.56 0.32 -4.95 118.70 115.30 1ckv s GLU 71 Ca 0.40 0.46 -0.25 0.00 0.00 0.00 0.00 54.97 55.58 1ckv s GLU 71 Cb -0.12 -0.21 0.01 0.00 2.00 0.00 0.00 34.13 35.81 1ckv s GLU 71 CO 0.24 -0.22 0.89 0.34 -0.56 0.00 0.00 175.26 175.95 1ckv s ASP 72 N 1.63 6.69 0.00 -1.70 -1.08 -1.26 0.18 116.67 121.14 1ckv s ASP 72 Ca -0.04 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 1ckv s ASP 72 Cb -0.12 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1ckv s ASP 72 CO -0.06 -0.77 0.00 -1.14 0.52 0.00 0.00 175.17 173.72 1ckv n ARG 73 N 6.57 0.00 0.00 4.34 3.00 -1.20 -4.90 116.66 124.48 1ckv n ARG 73 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 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 0.00 0.00 5.13 0.00 -1.26 -4.84 120.51 116.54 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 0.99 0.00 3.92 0.00 0.00 -1.26 -5.07 105.19 103.78 1ckv n GLY 75 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.79 3.17 -0.12 1.61 2.02 -1.26 -4.45 117.35 116.53 1ckv s TYR 76 Ca 0.00 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 1ckv s TYR 76 Cb 0.00 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1ckv s TYR 76 CO 0.00 0.27 1.20 -1.58 -1.57 0.00 0.00 175.55 173.87 1ckv s TRP 77 N -2.14 3.09 -0.46 2.71 0.52 -1.24 -3.23 118.94 118.19 1ckv s TRP 77 Ca 0.38 1.18 -0.18 0.00 0.02 0.00 0.00 56.10 57.51 1ckv s TRP 77 Cb -0.08 -3.43 0.04 0.00 -1.15 0.00 0.00 33.47 28.85 1ckv s TRP 77 CO 0.28 -1.33 0.49 -1.58 0.02 0.00 0.00 176.95 174.83 1ckv s TRP 78 N 2.80 3.15 -0.09 -1.98 0.52 0.48 -3.83 118.94 119.98 1ckv s TRP 78 Ca 0.54 -0.53 -0.11 0.00 0.02 0.00 0.00 56.10 56.01 1ckv s TRP 78 Cb -0.22 -3.15 -0.05 0.00 -1.15 0.00 0.00 33.47 28.90 1ckv s TRP 78 CO 0.17 -0.83 0.26 0.42 0.02 0.00 0.00 176.95 177.00 1ckv s ILE 79 N 2.20 5.30 -0.03 2.03 1.09 -0.97 0.12 121.20 130.93 1ckv s ILE 79 Ca 0.11 0.49 0.04 0.00 -1.10 0.00 0.00 60.65 60.19 1ckv s ILE 79 Cb -0.19 -3.56 -0.00 0.00 -1.06 0.00 0.00 42.46 37.65 1ckv s ILE 79 CO 0.12 0.55 -0.14 -0.54 -0.10 0.00 0.00 174.94 174.83 1ckv s LYS 80 N -0.67 1.38 0.06 2.79 1.02 -0.56 -1.88 119.74 121.88 1ckv s LYS 80 Ca 0.18 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 55.65 1ckv s LYS 80 Cb -0.14 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1ckv s LYS 80 CO 0.07 0.20 0.08 0.00 -0.92 0.00 0.00 175.35 174.77 1ckv s ALA 81 N 0.06 0.09 -0.13 5.17 0.00 0.21 -1.88 121.76 125.28 1ckv s ALA 81 Ca -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1ckv s ALA 81 Cb -0.10 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1ckv s ALA 81 CO 0.01 -0.39 0.04 0.54 0.00 0.00 0.00 175.76 175.97 1ckv s ASN 82 N -2.58 5.53 0.00 0.00 6.03 -1.26 -0.05 114.94 122.60 1ckv s ASN 82 Ca 0.02 0.15 0.00 0.00 -1.03 0.00 0.00 52.86 52.00 1ckv s ASN 82 Cb 0.03 -1.78 0.00 0.00 -3.03 0.00 0.00 41.25 36.48 1ckv s ASN 82 CO -0.08 0.29 0.00 0.61 -2.03 0.00 0.00 177.10 175.89 1ckv n GLY 83 N 2.75 0.55 0.00 0.45 0.00 -1.26 -4.70 105.19 102.99 1ckv n GLY 83 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.10 -3.75 1.61 0.00 -1.26 -3.22 118.16 110.43 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 0.06 -0.11 0.58 -0.00 -0.64 -5.01 121.20 114.09 1ckv s ILE 85 Ca 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 60.65 59.80 1ckv s ILE 85 Cb 0.00 -1.43 0.02 0.00 -0.00 0.00 0.00 42.46 41.05 1ckv s ILE 85 CO 0.00 -0.29 -0.09 -1.83 -0.00 0.00 0.00 174.94 172.73 1ckv s GLU 86 N -3.86 1.58 -0.20 0.37 1.03 -1.26 -0.19 118.70 116.17 1ckv s GLU 86 Ca 0.08 -0.29 -0.16 0.00 0.03 0.00 0.00 54.97 54.62 1ckv s GLU 86 Cb 0.02 -1.57 -0.04 0.00 -0.80 0.00 0.00 34.13 31.74 1ckv s GLU 86 CO -0.07 -0.21 0.40 0.08 -1.33 0.00 0.00 175.26 174.13 1ckv s VAL 87 N 1.50 5.20 0.50 1.83 1.01 0.81 -4.89 120.40 126.36 1ckv s VAL 87 Ca 0.01 0.71 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1ckv s VAL 87 Cb -0.13 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 1ckv s VAL 87 CO -0.06 0.25 1.01 -1.81 0.00 0.00 0.00 175.10 174.49 1ckv s ASP 88 N 1.04 6.40 -0.45 3.32 1.11 -1.26 -0.58 116.67 126.26 1ckv s ASP 88 Ca 0.19 1.79 -0.07 0.00 0.18 0.00 0.00 52.55 54.63 1ckv s ASP 88 Cb -0.15 -2.54 0.11 0.00 1.07 0.00 0.00 42.92 41.41 1ckv s ASP 88 CO 0.08 -0.74 0.30 0.00 1.18 0.00 0.00 175.17 175.99 1ckv n ASP 90 N 4.83 0.00 0.00 0.00 8.00 -1.26 -4.60 116.55 123.52 1ckv n ASP 90 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1ckv n ASP 90 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ckv n GLU 91 N 0.00 0.00 0.08 -1.24 1.02 -1.26 -2.15 120.64 117.09 1ckv n GLU 91 Ca 0.00 0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1ckv n GLU 91 Cb 0.00 -1.10 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.77 -0.88 -3.67 2.10 -1.91 -2.21 117.51 111.72 1ckv h ILE 92 Ca 0.00 0.00 0.18 0.00 1.08 0.00 0.00 64.86 66.12 1ckv h ILE 92 Cb 0.00 0.77 -0.07 0.00 -1.09 0.00 0.00 36.82 36.44 1ckv h ILE 92 CO 0.00 0.00 0.58 0.77 -1.08 0.00 0.00 178.15 178.42 1ckv h SER 93 N -0.20 0.45 -0.53 2.19 4.64 -1.89 1.21 113.55 119.41 1ckv h SER 93 Ca 0.01 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ckv h SER 93 Cb 0.21 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1ckv h SER 93 CO -0.04 0.20 0.35 -0.33 -0.87 0.00 0.00 176.83 176.13 1ckv h GLU 94 N 0.46 0.71 0.00 4.77 3.07 -0.87 0.73 114.58 123.44 1ckv h GLU 94 Ca 0.45 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.22 1ckv h GLU 94 Cb 1.04 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 1ckv h GLU 94 CO -0.18 0.48 -1.14 -0.11 -1.40 0.00 0.00 179.01 176.66 1ckv n LEU 95 N -4.71 0.84 -1.39 1.33 -0.00 -0.26 -2.61 117.00 110.20 1ckv n LEU 95 Ca 0.03 0.34 0.10 0.00 -0.00 0.00 0.00 56.01 56.48 1ckv n LEU 95 Cb 0.03 -0.02 0.32 0.00 -0.00 0.00 0.00 43.42 43.75 1ckv n LEU 95 CO 0.35 -0.09 0.78 0.18 -0.00 0.00 0.00 177.39 178.60 1ckv n LEU 96 N -2.73 4.08 0.00 -1.96 7.99 0.40 -4.84 117.00 119.95 1ckv n LEU 96 Ca -0.03 -2.05 0.00 0.00 -0.01 0.00 0.00 56.01 53.92 1ckv n LEU 96 Cb 0.63 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 1ckv n LEU 96 CO 0.41 0.85 0.00 0.61 -1.51 0.00 0.00 177.39 177.75 1ckv n GLY 97 N 1.37 0.24 2.92 -0.72 0.00 0.88 -4.91 105.19 104.98 1ckv n GLY 97 Ca 0.24 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.36 1.61 0.00 0.22 -1.70 116.66 115.42 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 -0.92 -0.05 0.00 -0.00 0.00 0.00 32.46 31.49 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 1.61 -1.13 0.00 2.89 6.02 -1.26 -4.95 117.38 120.55 1ckv n GLN 99 Ca 0.05 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.95 1ckv n GLN 99 Cb 0.45 -5.05 0.00 0.00 1.02 0.00 0.00 30.24 26.67 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 -2.50 -2.14 -5.12 1.08 3.72 -0.69 -5.07 117.46 106.73 1ckv n PHE 100 Ca -0.12 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.99 1ckv n PHE 100 Cb 0.47 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.86 1ckv n PHE 100 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ckv s ASN 101 N -1.38 2.78 1.02 4.37 3.04 -1.26 -5.13 114.94 118.39 1ckv s ASN 101 Ca 0.00 -0.45 -0.13 0.00 0.04 0.00 0.00 52.86 52.33 1ckv s ASN 101 Cb 0.00 -0.30 0.15 0.00 -1.54 0.00 0.00 41.25 39.56 1ckv s ASN 101 CO 0.00 0.28 0.75 0.55 -3.04 0.00 0.00 177.10 175.64 1ckv n VAL 102 N 2.39 0.00 -0.99 -5.21 3.14 -1.26 -2.92 118.33 113.48 1ckv n VAL 102 Ca -0.16 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1ckv n VAL 102 Cb 0.52 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 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 -4.29 0.00 0.04 1.45 4.01 -1.26 -4.85 117.16 112.26 1ckv n TYR 103 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 1ckv n TYR 103 Cb 0.54 -0.98 -0.13 0.00 -0.31 0.00 0.00 39.34 38.45 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 0.17 0.05 7.72 5.19 -1.94 -0.57 116.42 127.03 1ckv h ASP 104 Ca 0.00 -0.23 -0.08 0.00 -0.62 0.00 0.00 57.03 56.10 1ckv h ASP 104 Cb 0.48 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1ckv h ASP 104 CO 0.00 1.19 -0.25 0.15 -3.12 0.00 0.00 179.24 177.22 1ckv h PHE 105 N 0.03 0.36 -0.22 4.55 3.04 -1.88 -3.12 116.94 119.69 1ckv h PHE 105 Ca -0.18 -0.07 -0.19 0.00 3.98 0.00 0.00 57.97 61.52 1ckv h PHE 105 Cb 1.94 -0.09 -0.20 0.00 2.56 0.00 0.00 35.95 40.16 1ckv h PHE 105 CO 0.03 0.55 -0.71 1.47 -2.02 0.00 0.00 178.31 177.63 1ckv n LEU 106 N -4.15 2.92 -0.28 0.59 -0.00 -1.25 -4.81 117.00 110.03 1ckv n LEU 106 Ca -0.01 -3.76 -0.06 0.00 -0.00 0.00 0.00 56.01 52.18 1ckv n LEU 106 Cb 0.37 -0.32 0.06 0.00 -0.00 0.00 0.00 43.42 43.53 1ckv n LEU 106 CO 0.40 1.42 1.04 1.62 -0.00 0.00 0.00 177.39 181.87 1ckv h VAL 107 N 2.58 1.26 -0.27 1.47 3.04 -1.03 -3.42 116.25 119.88 1ckv h VAL 107 Ca 0.05 -0.81 0.02 0.00 -1.01 0.00 0.00 66.70 64.95 1ckv h VAL 107 Cb 1.30 0.36 -0.16 0.00 -2.01 0.00 0.00 31.29 30.78 1ckv h VAL 107 CO 0.22 0.33 -0.16 -0.62 -1.01 0.00 0.00 177.57 176.33 1ckv s ASP 108 N -6.31 -0.39 0.27 3.17 2.15 -1.26 -5.06 116.67 109.24 1ckv s ASP 108 Ca -0.12 -0.42 0.05 0.00 0.43 0.00 0.00 52.55 52.49 1ckv s ASP 108 Cb 0.15 0.51 -0.06 0.00 -0.30 0.00 0.00 42.92 43.23 1ckv s ASP 108 CO 0.83 -0.02 -0.03 -0.69 -0.17 0.00 0.00 175.17 175.10 1ckv s VAL 109 N 1.14 1.39 0.29 1.11 1.01 -1.26 -5.04 120.40 119.03 1ckv s VAL 109 Ca 0.23 -2.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.13 1ckv s VAL 109 Cb 0.10 -2.46 0.35 0.00 0.00 0.00 0.00 36.38 34.37 1ckv s VAL 109 CO -0.11 -0.27 1.61 -1.28 0.00 0.00 0.00 175.10 175.05 1ckv h SER 110 N 2.32 -0.30 -3.82 3.32 0.87 -1.99 -3.43 113.55 110.52 1ckv h SER 110 Ca -0.40 0.24 0.15 0.00 -1.23 0.00 0.00 61.79 60.55 1ckv h SER 110 Cb 1.23 0.39 -0.24 0.00 -0.44 0.00 0.00 62.40 63.34 1ckv h SER 110 CO 0.67 -0.26 0.70 -0.55 -0.53 0.00 0.00 176.83 176.86 1ckv s SER 111 N -5.07 -0.24 -0.29 6.23 0.15 -1.11 -4.97 113.70 108.39 1ckv s SER 111 Ca -0.13 0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.81 1ckv s SER 111 Cb 0.27 0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.96 1ckv s SER 111 CO 0.77 -0.24 0.51 0.42 1.20 0.00 0.00 173.24 175.89 1ckv s THR 112 N -1.24 -0.83 0.00 6.45 -4.23 -1.24 -0.10 115.64 114.45 1ckv s THR 112 Ca 0.03 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1ckv s THR 112 Cb -0.01 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1ckv s THR 112 CO -0.02 -0.14 0.00 -0.38 -0.54 0.00 0.00 174.62 173.54 1ckv n ILE 113 N 5.36 0.00 0.00 2.99 -0.00 0.52 -4.59 119.36 123.63 1ckv n ILE 113 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1ckv n ILE 113 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 1ckv n ILE 113 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ckv n GLY 114 N 0.00 -1.52 3.72 7.39 0.00 -1.26 -2.71 105.19 110.81 1ckv n GLY 114 Ca 0.00 0.66 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 4.31 -0.04 1.61 1.81 0.33 -4.93 118.95 122.03 1ckv s ARG 115 Ca 0.00 0.33 0.06 0.00 -1.72 0.00 0.00 55.73 54.40 1ckv s ARG 115 Cb 0.00 -3.44 -0.01 0.00 -0.45 0.00 0.00 34.95 31.05 1ckv s ARG 115 CO 0.00 0.17 -0.22 0.00 -0.68 0.00 0.00 175.30 174.57 1ckv s ALA 116 N 0.62 1.90 -0.10 2.13 0.00 -1.26 0.19 121.76 125.23 1ckv s ALA 116 Ca 0.23 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1ckv s ALA 116 Cb -0.14 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.44 1ckv s ALA 116 CO 0.08 0.38 0.03 1.52 0.00 0.00 0.00 175.76 177.77 1ckv s TYR 117 N -0.18 0.61 0.33 0.00 -0.85 -1.01 -5.00 117.35 111.24 1ckv s TYR 117 Ca -0.01 -0.27 -0.13 0.00 -0.52 0.00 0.00 57.07 56.14 1ckv s TYR 117 Cb -0.12 -0.79 -0.08 0.00 0.38 0.00 0.00 41.96 41.35 1ckv s TYR 117 CO 0.02 -0.39 0.73 -0.08 -1.52 0.00 0.00 175.55 174.31 1ckv s THR 118 N 1.99 4.73 -0.30 -3.49 -1.32 -1.26 -2.68 115.64 113.32 1ckv s THR 118 Ca 0.03 0.82 -0.07 0.00 -1.21 0.00 0.00 61.69 61.27 1ckv s THR 118 Cb -0.14 -3.64 0.15 0.00 -1.51 0.00 0.00 72.50 67.37 1ckv s THR 118 CO -0.06 -0.26 0.63 -1.48 -2.21 0.00 0.00 174.62 171.24 1ckv s LEU 119 N -3.18 -1.24 0.00 9.08 0.05 -1.26 -5.00 118.68 117.13 1ckv s LEU 119 Ca 0.53 1.31 0.00 0.00 0.05 0.00 0.00 54.13 56.02 1ckv s LEU 119 Cb -0.10 2.25 0.00 0.00 -2.05 0.00 0.00 46.19 46.29 1ckv s LEU 119 CO 0.21 -0.24 0.00 0.61 -0.55 0.00 0.00 176.35 176.39 1ckv n GLY 120 N 5.44 1.46 2.60 -3.48 0.00 -1.26 -3.40 105.19 106.54 1ckv n GLY 120 Ca -0.08 0.40 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 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 2.94 0.00 1.61 2.47 -1.26 -4.97 114.94 111.73 1ckv s ASN 121 Ca 0.00 -3.02 0.00 0.00 0.42 0.00 0.00 52.86 50.26 1ckv s ASN 121 Cb 0.00 -0.85 0.00 0.00 -1.45 0.00 0.00 41.25 38.95 1ckv s ASN 121 CO 0.00 -0.19 0.00 0.29 -3.72 0.00 0.00 177.10 173.48 1ckv n LYS 122 N 2.98 0.00 -3.08 0.43 5.02 -1.22 -4.31 118.16 117.97 1ckv n LYS 122 Ca 0.20 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.09 1ckv n LYS 122 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.36 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 3.40 -0.22 2.13 -0.71 0.25 -4.08 117.98 118.75 1ckv s PHE 123 Ca 0.00 1.00 -0.12 0.00 -1.04 0.00 0.00 56.93 56.77 1ckv s PHE 123 Cb 0.00 -2.83 -0.05 0.00 -1.21 0.00 0.00 43.02 38.94 1ckv s PHE 123 CO 0.00 -0.16 0.22 0.99 -1.34 0.00 0.00 175.22 174.93 1ckv s THR 124 N 1.84 5.32 -0.30 -4.49 2.01 -1.09 -0.13 115.64 118.80 1ckv s THR 124 Ca 0.31 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.53 1ckv s THR 124 Cb -0.16 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1ckv s THR 124 CO 0.11 0.33 0.18 -0.63 -0.69 0.00 0.00 174.62 173.92 1ckv s ILE 125 N 1.02 4.97 0.21 1.82 1.09 0.74 -2.42 121.20 128.62 1ckv s ILE 125 Ca 0.11 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.49 1ckv s ILE 125 Cb -0.14 -3.47 -0.04 0.00 -1.06 0.00 0.00 42.46 37.75 1ckv s ILE 125 CO 0.05 0.12 0.38 0.28 -0.10 0.00 0.00 174.94 175.67 1ckv s THR 126 N 1.69 5.22 -0.01 2.92 -1.32 0.50 -1.62 115.64 123.02 1ckv s THR 126 Ca 0.06 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 60.08 1ckv s THR 126 Cb -0.17 -3.75 0.02 0.00 -1.51 0.00 0.00 72.50 67.09 1ckv s THR 126 CO 0.09 -0.20 0.79 -0.24 -2.21 0.00 0.00 174.62 172.85 1ckv n SER 127 N -0.77 0.34 0.03 8.08 2.88 -1.20 0.12 113.62 123.11 1ckv n SER 127 Ca -0.05 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.84 1ckv n SER 127 Cb 0.54 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1ckv n SER 127 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ckv n GLU 128 N -0.15 0.00 -1.38 -1.46 1.02 -1.26 -4.97 120.64 112.45 1ckv n GLU 128 Ca 0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1ckv n GLU 128 Cb 0.57 -0.23 -0.06 0.00 -0.02 0.00 0.00 31.44 31.71 1ckv n GLU 128 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ckv n LEU 129 N -3.01 -0.76 -1.04 -4.62 7.94 -1.26 -4.84 117.00 109.41 1ckv n LEU 129 Ca 0.00 0.32 0.05 0.00 -1.11 0.00 0.00 56.01 55.28 1ckv n LEU 129 Cb 0.00 -2.34 0.21 0.00 0.53 0.00 0.00 43.42 41.82 1ckv n LEU 129 CO 0.00 -0.87 0.63 0.80 -1.11 0.00 0.00 177.39 176.85 1ckv n MET 130 N -1.89 2.62 0.02 1.96 1.56 -1.26 -3.86 117.12 116.26 1ckv n MET 130 Ca -0.13 -1.66 0.11 0.00 -0.27 0.00 0.00 57.70 55.75 1ckv n MET 130 Cb 0.52 -1.64 -0.12 0.00 2.15 0.00 0.00 33.22 34.12 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 0.75 -1.11 3.66 -5.12 0.00 -1.26 -4.89 105.19 97.22 1ckv n GLY 131 Ca 0.15 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.61 4.13 -0.19 0.99 1.02 -1.25 -4.90 118.68 113.88 1ckv s LEU 132 Ca -0.05 1.56 0.14 0.00 0.02 0.00 0.00 54.13 55.80 1ckv s LEU 132 Cb 0.13 -3.54 0.44 0.00 0.02 0.00 0.00 46.19 43.24 1ckv s LEU 132 CO 0.88 -0.76 1.20 0.47 0.02 0.00 0.00 176.35 178.16 1ckv n ASP 133 N 6.60 2.21 -0.02 2.29 9.92 -1.26 -4.62 116.55 131.66 1ckv n ASP 133 Ca 0.13 -3.34 -0.13 0.00 -0.53 0.00 0.00 54.79 50.92 1ckv n ASP 133 Cb 0.45 -0.44 -0.10 0.00 -0.64 0.00 0.00 41.12 40.39 1ckv n ASP 133 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1ckv h ARG 134 N 1.37 -0.00 0.00 -1.24 -0.00 -2.01 -3.27 114.38 109.23 1ckv h ARG 134 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1ckv h ARG 134 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.28 1ckv h ARG 134 CO 0.19 0.58 -0.97 1.63 0.00 0.00 0.00 179.97 181.40 1ckv n LYS 135 N -4.81 1.98 -0.05 0.04 5.02 -1.26 -4.47 118.16 114.60 1ckv n LYS 135 Ca -0.09 -0.05 0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1ckv n LYS 135 Cb 0.29 -1.08 0.42 0.00 -0.02 0.00 0.00 35.03 34.64 1ckv n LYS 135 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ckv n LEU 136 N -1.54 1.09 0.08 -0.35 0.00 -1.26 -4.17 117.00 110.84 1ckv n LEU 136 Ca -0.00 -0.46 0.19 0.00 0.00 0.00 0.00 56.01 55.74 1ckv n LEU 136 Cb 0.19 -0.07 0.55 0.00 0.00 0.00 0.00 43.42 44.09 1ckv n LEU 136 CO 0.18 0.23 1.17 1.05 0.00 0.00 0.00 177.39 180.02 1ckv h GLU 137 N 1.44 0.00 0.00 1.96 4.11 -1.78 -2.18 114.58 118.12 1ckv h GLU 137 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ckv h GLU 137 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ckv h GLU 137 CO 0.00 0.00 -0.23 -0.25 0.07 0.00 0.00 179.01 178.60 1ckv n ASP 138 N -3.23 0.00 -4.63 3.06 9.92 -1.26 -5.11 116.55 115.30 1ckv n ASP 138 Ca 0.09 -1.47 -0.52 0.00 -0.53 0.00 0.00 54.79 52.37 1ckv n ASP 138 Cb 0.92 -0.09 -0.06 0.00 -0.64 0.00 0.00 41.12 41.25 1ckv n ASP 138 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckv n TYR 139 N 0.00 1.77 -1.64 1.24 9.36 -0.82 -4.94 117.16 122.12 1ckv n TYR 139 Ca 0.00 0.53 -0.31 0.00 3.32 0.00 0.00 57.90 61.44 1ckv n TYR 139 Cb 0.59 -2.40 0.06 0.00 -0.63 0.00 0.00 39.34 36.96 1ckv n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1ckv s HIS 140 N 1.24 3.11 0.00 2.98 3.76 -1.26 -5.07 115.29 120.05 1ckv s HIS 140 Ca 0.86 1.27 0.00 0.00 -0.15 0.00 0.00 55.06 57.04 1ckv s HIS 140 Cb -0.92 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 29.81 1ckv s HIS 140 CO 0.49 -1.34 0.00 0.00 -0.85 0.00 0.00 174.74 173.04