#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 -1.19 1.37 7.83 0.15 -1.26 -5.17 113.70 115.43 1ckv s SER 2 Ca 0.00 0.95 -0.21 0.00 0.70 0.00 0.00 55.95 57.39 1ckv s SER 2 Cb 0.00 2.08 0.34 0.00 -1.71 0.00 0.00 66.02 66.73 1ckv s SER 2 CO 0.00 -0.22 0.82 1.33 1.20 0.00 0.00 173.24 176.36 1ckv n VAL 3 N 5.42 0.00 -4.69 4.45 0.24 -1.26 -5.01 118.33 117.47 1ckv n VAL 3 Ca -0.04 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1ckv n VAL 3 Cb 0.51 -0.93 -0.13 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.79 4.30 1.01 -1.34 0.01 -1.26 -5.12 114.94 109.74 1ckv s ASN 4 Ca 0.64 -0.21 -0.03 0.00 -0.71 0.00 0.00 52.86 52.55 1ckv s ASN 4 Cb -0.14 -1.43 0.05 0.00 0.41 0.00 0.00 41.25 40.13 1ckv s ASN 4 CO 0.56 0.23 0.25 -1.54 -1.51 0.00 0.00 177.10 175.09 1ckv n SER 5 N 3.08 -0.15 -3.35 -1.22 3.41 -1.26 -4.46 113.62 109.67 1ckv n SER 5 Ca -0.18 -1.03 -0.23 0.00 -0.26 0.00 0.00 58.87 57.17 1ckv n SER 5 Cb 0.53 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.35 1ckv n SER 5 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ckv n ASN 6 N -3.19 -6.25 -3.06 4.04 3.02 -1.26 -4.98 115.26 103.58 1ckv n ASN 6 Ca 0.03 -0.45 -0.14 0.00 -0.03 0.00 0.00 54.58 53.99 1ckv n ASN 6 Cb 0.11 -4.93 0.13 0.00 -0.61 0.00 0.00 39.78 34.48 1ckv n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ckv n ALA 7 N -4.51 -2.13 -1.41 5.41 0.00 -1.26 -4.99 120.51 111.62 1ckv n ALA 7 Ca -0.03 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 52.76 1ckv n ALA 7 Cb 0.58 -0.06 0.10 0.00 0.00 0.00 0.00 19.45 20.07 1ckv n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ckv n TYR 8 N -4.06 0.00 0.32 0.00 4.19 -1.26 -4.77 117.16 111.58 1ckv n TYR 8 Ca 0.07 -0.75 0.15 0.00 3.31 0.00 0.00 57.90 60.68 1ckv n TYR 8 Cb 0.27 -0.13 0.82 0.00 0.49 0.00 0.00 39.34 40.79 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 0.10 0.00 1.36 2.98 5.19 -1.98 1.09 116.42 125.17 1ckv h ASP 9 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1ckv h ASP 9 Cb 1.14 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1ckv h ASP 9 CO 0.00 0.00 -0.13 0.00 -3.12 0.00 0.00 179.24 176.00 1ckv h ALA 10 N 1.40 0.96 0.00 3.45 0.00 -2.02 -3.32 119.26 119.74 1ckv h ALA 10 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ckv h ALA 10 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ckv h ALA 10 CO 0.00 0.16 -0.06 0.41 0.00 0.00 0.00 179.25 179.76 1ckv n GLY 11 N 0.55 0.93 0.32 0.00 0.00 0.30 -4.70 105.19 102.60 1ckv n GLY 11 Ca 0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.24 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 0.14 -0.26 -0.61 -0.00 0.49 1.12 117.51 118.40 1ckv h ILE 12 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.78 1ckv h ILE 12 Cb 0.00 1.06 0.00 0.00 -0.00 0.00 0.00 36.82 37.88 1ckv h ILE 12 CO 0.00 0.01 0.00 0.23 -0.00 0.00 0.00 178.15 178.39 1ckv n MET 13 N -3.27 1.64 0.00 0.16 0.00 -1.26 -1.97 117.12 112.42 1ckv n MET 13 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 57.70 56.68 1ckv n MET 13 Cb 0.10 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.08 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 0.97 0.00 0.00 3.03 0.00 0.19 -3.92 105.19 105.46 1ckv n GLY 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ckv n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 15 N -2.51 0.21 -0.73 0.99 4.32 0.33 -1.11 117.00 118.50 1ckv n LEU 15 Ca 0.00 0.39 0.06 0.00 -0.02 0.00 0.00 56.01 56.44 1ckv n LEU 15 Cb 0.10 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.07 1ckv n LEU 15 CO 0.00 0.00 0.65 0.29 -1.22 0.00 0.00 177.39 177.11 1ckv n LYS 16 N -0.43 1.91 -0.02 3.23 4.01 -1.26 -3.81 118.16 121.80 1ckv n LYS 16 Ca 0.00 -1.41 -0.01 0.00 -0.51 0.00 0.00 58.31 56.38 1ckv n LYS 16 Cb 0.00 -1.31 -0.05 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 1.12 -0.30 2.68 0.72 0.00 -0.83 -4.84 105.19 103.74 1ckv n GLY 17 Ca 0.13 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.26 1.71 -0.02 1.61 2.47 -0.27 -4.75 119.74 118.23 1ckv s LYS 18 Ca -0.03 -2.70 0.03 0.00 -1.56 0.00 0.00 55.97 51.71 1ckv s LYS 18 Cb 0.03 -2.51 -0.04 0.00 -1.46 0.00 0.00 37.83 33.84 1ckv s LYS 18 CO 0.26 -1.31 0.03 -3.47 0.16 0.00 0.00 175.35 171.02 1ckv n ASP 19 N 2.52 4.24 -1.16 1.43 -0.08 -1.26 -4.56 116.55 117.68 1ckv n ASP 19 Ca 0.22 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.56 1ckv n ASP 19 Cb 0.40 0.73 0.24 0.00 2.34 0.00 0.00 41.12 44.83 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 -1.98 1.03 1.35 -0.67 3.72 -1.26 -4.05 117.46 115.60 1ckv n PHE 20 Ca -0.04 -0.40 0.15 0.00 -0.05 0.00 0.00 57.45 57.11 1ckv n PHE 20 Cb 0.46 -0.20 0.72 0.00 -0.94 0.00 0.00 39.48 39.51 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 0.63 2.51 0.77 4.37 0.00 -1.26 -3.19 120.51 124.33 1ckv n ALA 21 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1ckv n ALA 21 Cb 0.65 -1.47 0.16 0.00 0.00 0.00 0.00 19.45 18.79 1ckv n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckv n ASP 22 N -1.29 2.07 -0.15 0.00 8.00 -1.26 -3.59 116.55 120.34 1ckv n ASP 22 Ca 0.13 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1ckv n ASP 22 Cb 0.26 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1ckv n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckv n GLN 23 N 0.44 0.14 -0.09 -1.24 6.02 -1.19 -4.87 117.38 116.59 1ckv n GLN 23 Ca 0.11 -0.72 -0.14 0.00 -0.01 0.00 0.00 57.00 56.25 1ckv n GLN 23 Cb 0.36 -0.54 -0.07 0.00 1.02 0.00 0.00 30.24 31.01 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 0.00 -3.80 1.08 -1.00 -1.70 -3.45 116.94 108.07 1ckv h PHE 24 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 1ckv h PHE 24 Cb 1.10 0.00 -0.37 0.00 3.61 0.00 0.00 35.95 40.29 1ckv h PHE 24 CO 0.03 0.82 -0.80 -0.06 -1.61 0.00 0.00 178.31 176.69 1ckv s PHE 25 N -2.25 3.11 -0.88 -0.55 0.08 -1.26 -4.96 117.98 111.27 1ckv s PHE 25 Ca -0.21 -2.21 0.24 0.00 0.12 0.00 0.00 56.93 54.88 1ckv s PHE 25 Cb 0.03 -1.87 0.40 0.00 -0.57 0.00 0.00 43.02 41.01 1ckv s PHE 25 CO 0.43 -0.86 1.34 0.00 -0.10 0.00 0.00 175.22 176.02 1ckv n ALA 26 N 4.48 3.43 1.91 5.36 0.00 -1.26 -3.90 120.51 130.53 1ckv n ALA 26 Ca -0.14 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 52.98 1ckv n ALA 26 Cb 0.43 -1.10 0.14 0.00 0.00 0.00 0.00 19.45 18.91 1ckv n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckv n ASP 27 N -1.68 0.00 0.10 0.00 8.00 -1.26 -2.93 116.55 118.79 1ckv n ASP 27 Ca 0.05 -1.77 0.12 0.00 0.71 0.00 0.00 54.79 53.89 1ckv n ASP 27 Cb 0.37 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.53 1ckv n ASP 27 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ckv h GLU 28 N 0.00 0.00 -0.62 -1.24 5.08 -2.02 -3.29 114.58 112.49 1ckv h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ckv h GLU 28 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ckv h GLU 28 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1ckv n ASN 29 N -2.57 3.70 -4.71 1.42 3.02 -1.15 -4.90 115.26 110.07 1ckv n ASN 29 Ca 0.01 -2.36 -0.34 0.00 -0.03 0.00 0.00 54.58 51.86 1ckv n ASN 29 Cb 0.52 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 1ckv n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ckv s GLN 30 N -1.81 2.99 0.04 3.52 -0.21 -1.24 -5.09 119.66 117.85 1ckv s GLN 30 Ca 0.38 -0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.05 1ckv s GLN 30 Cb 0.25 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 1ckv s GLN 30 CO 0.18 0.68 0.84 0.54 -2.12 0.00 0.00 175.29 175.41 1ckv s VAL 31 N -0.99 4.73 -0.11 1.09 0.11 -1.26 -5.05 120.40 118.91 1ckv s VAL 31 Ca 0.16 1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 60.99 1ckv s VAL 31 Cb -0.12 -4.19 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 1ckv s VAL 31 CO 0.06 0.31 -0.06 0.54 -3.33 0.00 0.00 175.10 172.62 1ckv s VAL 32 N 0.23 3.74 -0.28 2.04 0.11 -1.26 -5.09 120.40 119.88 1ckv s VAL 32 Ca 0.43 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 1ckv s VAL 32 Cb -0.21 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1ckv s VAL 32 CO 0.25 0.55 0.04 -1.38 -3.33 0.00 0.00 175.10 171.22 1ckv s HIS 33 N -0.18 3.12 -0.74 1.54 -3.43 -1.26 -4.77 115.29 109.57 1ckv s HIS 33 Ca 0.03 -1.13 -0.17 0.00 -0.80 0.00 0.00 55.06 52.98 1ckv s HIS 33 Cb -0.13 -2.19 0.02 0.00 -1.43 0.00 0.00 32.58 28.85 1ckv s HIS 33 CO 0.03 -0.61 0.44 0.39 -2.00 0.00 0.00 174.74 172.98 1ckv n GLU 34 N 4.81 -0.64 -4.00 -0.38 1.02 -1.26 -4.91 120.64 115.27 1ckv n GLU 34 Ca -0.15 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.70 1ckv n GLU 34 Cb 0.48 -1.36 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.62 4.61 -0.22 1.62 0.01 -1.26 -4.96 113.70 109.88 1ckv s SER 35 Ca 0.24 -1.33 0.16 0.00 1.31 0.00 0.00 55.95 56.33 1ckv s SER 35 Cb -0.13 -1.62 0.47 0.00 0.21 0.00 0.00 66.02 64.95 1ckv s SER 35 CO 0.64 -0.21 1.16 0.47 0.41 0.00 0.00 173.24 175.71 1ckv n ASP 36 N 4.52 2.64 -4.76 2.44 9.92 -1.26 -5.06 116.55 124.98 1ckv n ASP 36 Ca -0.14 -2.91 -0.41 0.00 -0.53 0.00 0.00 54.79 50.81 1ckv n ASP 36 Cb 0.43 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.47 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 -3.37 3.04 -0.70 -3.53 2.01 -1.26 -4.25 115.64 107.59 1ckv s THR 37 Ca 0.38 1.05 -0.23 0.00 0.31 0.00 0.00 61.69 63.20 1ckv s THR 37 Cb 0.37 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 69.27 1ckv s THR 37 CO -0.04 0.25 1.05 -0.69 -0.69 0.00 0.00 174.62 174.50 1ckv s VAL 38 N -1.13 4.21 0.02 3.82 1.01 -0.11 -4.86 120.40 123.35 1ckv s VAL 38 Ca 0.47 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1ckv s VAL 38 Cb -0.36 -4.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.23 1ckv s VAL 38 CO 0.48 -1.56 0.01 -0.69 0.00 0.00 0.00 175.10 173.34 1ckv s VAL 39 N 4.38 4.21 -0.24 2.92 1.01 -0.88 -1.11 120.40 130.69 1ckv s VAL 39 Ca 0.26 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1ckv s VAL 39 Cb -0.14 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.45 1ckv s VAL 39 CO 0.10 0.31 0.35 -0.76 0.00 0.00 0.00 175.10 175.10 1ckv s LEU 40 N -1.76 -0.55 -0.17 3.92 1.02 -0.55 0.58 118.68 121.16 1ckv s LEU 40 Ca 0.22 0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.47 1ckv s LEU 40 Cb -0.12 1.00 -0.03 0.00 0.02 0.00 0.00 46.19 47.07 1ckv s LEU 40 CO 0.13 -0.30 -0.02 0.68 0.02 0.00 0.00 176.35 176.86 1ckv s VAL 41 N 2.51 3.97 -0.01 -1.59 -7.23 -0.96 -2.41 120.40 114.68 1ckv s VAL 41 Ca 0.12 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.02 1ckv s VAL 41 Cb -0.15 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 1ckv s VAL 41 CO -0.16 0.47 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.17 1ckv s LEU 42 N 0.58 2.04 -0.02 1.32 1.43 -1.22 -2.58 118.68 120.23 1ckv s LEU 42 Ca -0.02 -0.31 -0.36 0.00 -1.03 0.00 0.00 54.13 52.41 1ckv s LEU 42 Cb -0.14 -0.86 -0.15 0.00 0.03 0.00 0.00 46.19 45.07 1ckv s LEU 42 CO 0.02 0.20 1.60 2.29 0.23 0.00 0.00 176.35 180.70 1ckv n LYS 43 N 2.63 1.60 -1.54 1.70 0.00 -1.26 -2.45 118.16 118.84 1ckv n LYS 43 Ca -0.15 0.58 -0.14 0.00 -0.00 0.00 0.00 58.31 58.61 1ckv n LYS 43 Cb 0.54 -2.31 -0.09 0.00 -0.00 0.00 0.00 35.03 33.17 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 4.24 0.39 -4.52 -1.58 3.00 -1.01 -4.61 118.16 114.07 1ckv n LYS 44 Ca 0.21 -0.92 -0.24 0.00 -0.00 0.00 0.00 58.31 57.36 1ckv n LYS 44 Cb 0.22 -3.40 -0.11 0.00 0.00 0.00 0.00 35.03 31.74 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 9.03 2.95 0.00 3.14 0.01 -1.26 -4.96 113.70 122.61 1ckv s SER 45 Ca 0.92 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1ckv s SER 45 Cb -0.18 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1ckv s SER 45 CO 0.15 -0.55 0.30 0.47 0.41 0.00 0.00 173.24 174.01 1ckv n ASP 46 N -0.80 0.04 -0.10 2.44 8.00 -1.26 -2.50 116.55 122.37 1ckv n ASP 46 Ca -0.03 -0.64 -0.13 0.00 0.71 0.00 0.00 54.79 54.70 1ckv n ASP 46 Cb 0.67 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.39 0.54 -0.18 -1.24 2.13 -1.26 -4.34 120.64 115.90 1ckv n GLU 47 Ca 0.00 0.26 -0.07 0.00 0.66 0.00 0.00 57.16 58.01 1ckv n GLU 47 Cb 0.01 -1.47 0.02 0.00 0.27 0.00 0.00 31.44 30.26 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 1.17 -0.78 6.31 5.03 -1.74 -3.05 117.51 123.44 1ckv h ILE 48 Ca -0.15 -0.40 0.07 0.00 -0.12 0.00 0.00 64.86 64.26 1ckv h ILE 48 Cb 1.09 0.50 -0.09 0.00 -3.03 0.00 0.00 36.82 35.29 1ckv h ILE 48 CO -0.09 0.17 -0.46 0.59 -0.68 0.00 0.00 178.15 177.68 1ckv n ASN 49 N -4.66 -0.82 0.00 1.72 3.02 -1.05 -0.36 115.26 113.10 1ckv n ASN 49 Ca 0.02 1.58 0.00 0.00 -0.03 0.00 0.00 54.58 56.15 1ckv n ASN 49 Cb 0.07 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1ckv n ASN 49 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ckv n THR 50 N -4.77 0.00 -0.37 3.41 -1.04 -1.20 -2.86 114.28 107.46 1ckv n THR 50 Ca 0.02 0.99 -0.09 0.00 -2.04 0.00 0.00 64.05 62.92 1ckv n THR 50 Cb 0.20 -1.86 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 1ckv n THR 50 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1ckv h PHE 51 N 0.00 -1.70 -0.94 -1.42 -0.00 -1.53 0.47 116.94 111.82 1ckv h PHE 51 Ca 0.00 0.12 0.25 0.00 -0.00 0.00 0.00 57.97 58.34 1ckv h PHE 51 Cb 0.00 0.87 -0.17 0.00 -0.00 0.00 0.00 35.95 36.64 1ckv h PHE 51 CO 0.09 -0.39 0.03 0.97 -0.00 0.00 0.00 178.31 179.01 1ckv h ILE 52 N -0.06 0.09 0.18 0.88 6.09 -0.84 0.91 117.51 124.77 1ckv h ILE 52 Ca 0.18 -0.01 0.01 0.00 -1.37 0.00 0.00 64.86 63.67 1ckv h ILE 52 Cb 0.47 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 37.79 1ckv h ILE 52 CO -0.90 0.01 -0.20 1.05 -3.07 0.00 0.00 178.15 175.04 1ckv h GLU 53 N 0.04 -0.40 0.00 2.19 4.11 0.05 -2.82 114.58 117.75 1ckv h GLU 53 Ca 0.56 0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.02 1ckv h GLU 53 Cb 1.13 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ckv h GLU 53 CO -0.86 -0.27 0.00 0.39 0.07 0.00 0.00 179.01 178.34 1ckv n GLU 54 N -5.32 0.00 0.00 1.06 1.02 0.29 -2.62 120.64 115.07 1ckv n GLU 54 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1ckv n GLU 54 Cb 0.24 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 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 0.08 0.16 119.36 115.93 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 -3.71 0.31 0.19 9.51 4.32 -1.06 -2.92 117.00 123.64 1ckv n LEU 56 Ca 0.00 0.58 0.14 0.00 -0.02 0.00 0.00 56.01 56.70 1ckv n LEU 56 Cb 0.00 -0.15 0.67 0.00 -1.62 0.00 0.00 43.42 42.32 1ckv n LEU 56 CO 0.00 -0.15 0.91 -0.07 -1.22 0.00 0.00 177.39 176.86 1ckv h LEU 57 N 0.00 0.00 0.00 2.23 -0.00 -1.07 0.25 115.31 116.72 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 -2.46 0.00 0.06 0.22 -2.24 0.42 -2.69 114.28 107.58 1ckv n THR 58 Ca -0.01 1.03 -0.12 0.00 -2.27 0.00 0.00 64.05 62.69 1ckv n THR 58 Cb 0.12 -1.92 -0.13 0.00 -2.10 0.00 0.00 70.33 66.29 1ckv n THR 58 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ckv h ASP 59 N 0.00 0.20 0.42 3.42 5.19 -1.54 -2.90 116.42 121.21 1ckv h ASP 59 Ca 0.00 -0.25 -0.14 0.00 -0.62 0.00 0.00 57.03 56.02 1ckv h ASP 59 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1ckv h ASP 59 CO 0.00 1.20 -0.59 1.88 -3.12 0.00 0.00 179.24 178.61 1ckv h TYR 60 N 0.04 0.23 0.08 4.55 -1.99 -0.64 -2.06 116.97 117.17 1ckv h TYR 60 Ca -0.14 -0.09 -0.21 0.00 2.00 0.00 0.00 58.73 60.30 1ckv h TYR 60 Cb 1.92 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 40.60 1ckv h TYR 60 CO 0.03 0.73 -1.05 -0.22 -0.00 0.00 0.00 178.16 177.65 1ckv h LYS 61 N 0.13 0.16 -0.21 4.88 1.63 -1.55 -2.77 116.57 118.84 1ckv h LYS 61 Ca -0.01 -0.28 0.03 0.00 -0.85 0.00 0.00 60.65 59.54 1ckv h LYS 61 Cb 1.08 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 1ckv h LYS 61 CO 0.09 1.13 0.05 -0.22 -3.45 0.00 0.00 179.45 177.05 1ckv h LYS 62 N -0.56 0.14 0.00 1.90 3.64 -1.59 -3.44 116.57 116.65 1ckv h LYS 62 Ca -0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1ckv h LYS 62 Cb 1.53 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1ckv h LYS 62 CO 0.01 0.09 0.00 0.27 -2.27 0.00 0.00 179.45 177.55 1ckv n ASN 63 N -5.07 0.00 0.01 4.20 2.04 -0.78 -5.06 115.26 110.60 1ckv n ASN 63 Ca -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.12 1ckv n ASN 63 Cb 0.09 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 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 -3.65 3.53 0.31 -1.16 -4.68 118.33 112.68 1ckv n VAL 64 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1ckv n VAL 64 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1ckv n VAL 64 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ckv s ASN 65 N -2.00 -0.11 0.00 4.52 0.01 -1.05 -5.01 114.94 111.30 1ckv s ASN 65 Ca 0.00 0.21 0.22 0.00 -0.71 0.00 0.00 52.86 52.59 1ckv s ASN 65 Cb 0.00 0.30 1.20 0.00 0.41 0.00 0.00 41.25 43.16 1ckv s ASN 65 CO 0.00 -0.04 1.79 -0.81 -1.51 0.00 0.00 177.10 176.53 1ckv n PRO 66 N 1.83 1.18 0.00 -0.60 -0.04 -1.26 -4.40 135.00 131.71 1ckv n PRO 66 Ca -0.11 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1ckv n PRO 66 Cb 0.57 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1ckv n PRO 66 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ckv n THR 67 N -0.56 0.00 -2.96 0.52 5.66 -1.26 -4.78 114.28 110.90 1ckv n THR 67 Ca 0.17 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.00 1ckv n THR 67 Cb 0.14 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.89 1ckv n THR 67 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1ckv n VAL 68 N 0.00 -0.15 -3.16 1.08 3.14 -1.24 -4.83 118.33 113.18 1ckv n VAL 68 Ca 0.00 -0.07 -0.39 0.00 -2.96 0.00 0.00 64.34 60.92 1ckv n VAL 68 Cb 0.00 -0.28 -0.06 0.00 -1.06 0.00 0.00 33.84 32.44 1ckv n VAL 68 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1ckv s ASN 69 N -2.52 7.15 0.13 6.55 0.01 -0.70 -4.88 114.94 120.69 1ckv s ASN 69 Ca 0.23 1.37 -0.02 0.00 -0.71 0.00 0.00 52.86 53.73 1ckv s ASN 69 Cb -0.14 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1ckv s ASN 69 CO 0.43 0.21 0.33 0.54 -1.51 0.00 0.00 177.10 177.10 1ckv s VAL 70 N -0.91 5.24 -0.12 1.60 0.11 -1.26 -1.79 120.40 123.28 1ckv s VAL 70 Ca 0.32 -0.19 -0.04 0.00 -2.93 0.00 0.00 61.98 59.14 1ckv s VAL 70 Cb -0.20 -3.65 0.06 0.00 -1.53 0.00 0.00 36.38 31.05 1ckv s VAL 70 CO 0.21 0.02 0.17 -1.61 -3.33 0.00 0.00 175.10 170.56 1ckv s GLU 71 N -2.76 0.07 -0.13 1.54 8.01 0.31 -4.97 118.70 120.77 1ckv s GLU 71 Ca 0.39 0.42 -0.29 0.00 0.01 0.00 0.00 54.97 55.50 1ckv s GLU 71 Cb -0.12 -0.63 -0.01 0.00 -4.31 0.00 0.00 34.13 29.06 1ckv s GLU 71 CO 0.27 -0.42 1.01 0.16 0.01 0.00 0.00 175.26 176.28 1ckv s ASP 72 N 2.28 7.21 0.00 -0.19 -4.77 -1.26 0.11 116.67 120.05 1ckv s ASP 72 Ca 0.04 1.49 0.00 0.00 -3.30 0.00 0.00 52.55 50.77 1ckv s ASP 72 Cb -0.13 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1ckv s ASP 72 CO -0.07 -0.49 0.00 0.54 0.70 0.00 0.00 175.17 175.85 1ckv n ARG 73 N 5.27 0.00 0.00 2.11 5.12 -1.15 -4.92 116.66 123.10 1ckv n ARG 73 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1ckv n ARG 73 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckv n ALA 74 N -3.00 0.00 -1.43 7.54 0.00 -1.26 -4.71 120.51 117.65 1ckv n ALA 74 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ckv n ALA 74 Cb 0.00 0.00 0.04 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 -0.10 1.28 3.10 0.00 0.00 -1.26 -5.08 105.19 103.13 1ckv n GLY 75 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.83 0.28 -0.05 1.61 2.02 -1.26 -2.41 117.35 116.71 1ckv s TYR 76 Ca 0.08 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.83 1ckv s TYR 76 Cb 0.07 -0.20 -0.03 0.00 -0.40 0.00 0.00 41.96 41.40 1ckv s TYR 76 CO 0.01 -0.36 1.15 -1.58 -1.57 0.00 0.00 175.55 173.20 1ckv s TRP 77 N -2.91 3.29 -0.47 2.71 0.52 -1.02 -2.91 118.94 118.15 1ckv s TRP 77 Ca -0.02 1.32 -0.18 0.00 0.02 0.00 0.00 56.10 57.24 1ckv s TRP 77 Cb 0.01 -3.36 0.05 0.00 -1.15 0.00 0.00 33.47 29.01 1ckv s TRP 77 CO -0.06 -1.05 0.51 -1.58 0.02 0.00 0.00 176.95 174.79 1ckv s TRP 78 N 2.02 3.14 -0.25 -1.98 0.52 0.30 -3.41 118.94 119.28 1ckv s TRP 78 Ca 0.54 -0.61 -0.14 0.00 0.02 0.00 0.00 56.10 55.91 1ckv s TRP 78 Cb -0.24 -3.26 -0.04 0.00 -1.15 0.00 0.00 33.47 28.78 1ckv s TRP 78 CO 0.22 -0.87 0.32 0.42 0.02 0.00 0.00 176.95 177.06 1ckv s ILE 79 N 2.20 5.23 -0.03 2.03 1.09 -1.01 0.11 121.20 130.82 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 -0.20 -3.65 -0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1ckv s ILE 79 CO 0.11 0.22 -0.14 -0.75 -0.10 0.00 0.00 174.94 174.28 1ckv s LYS 80 N 1.68 1.40 0.03 2.79 2.20 -0.74 -1.48 119.74 125.63 1ckv s LYS 80 Ca 0.14 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1ckv s LYS 80 Cb -0.15 -1.26 -0.01 0.00 -1.51 0.00 0.00 37.83 34.89 1ckv s LYS 80 CO 0.09 0.21 0.06 0.00 -0.36 0.00 0.00 175.35 175.35 1ckv s ALA 81 N 0.03 -0.01 -0.18 3.13 0.00 -0.27 -1.72 121.76 122.74 1ckv s ALA 81 Ca -0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 1ckv s ALA 81 Cb -0.10 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1ckv s ALA 81 CO 0.01 -0.27 0.04 0.54 0.00 0.00 0.00 175.76 176.08 1ckv s ASN 82 N -1.94 5.42 0.00 0.00 6.03 -1.26 -0.93 114.94 122.27 1ckv s ASN 82 Ca -0.08 0.02 0.00 0.00 -1.03 0.00 0.00 52.86 51.77 1ckv s ASN 82 Cb -0.03 -1.92 0.00 0.00 -3.03 0.00 0.00 41.25 36.27 1ckv s ASN 82 CO -0.03 0.16 0.00 0.61 -2.03 0.00 0.00 177.10 175.81 1ckv n GLY 83 N 3.59 2.05 0.00 0.45 0.00 -1.26 -4.87 105.19 105.14 1ckv n GLY 83 Ca -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.92 1.61 0.00 -1.26 -4.28 118.16 110.31 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 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 1ckv n LYS 84 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1ckv s ILE 85 N -2.00 0.13 -0.04 0.58 2.07 -0.86 -4.97 121.20 116.11 1ckv s ILE 85 Ca 0.00 -1.07 -0.02 0.00 -1.41 0.00 0.00 60.65 58.15 1ckv s ILE 85 Cb 0.00 -0.89 0.03 0.00 0.13 0.00 0.00 42.46 41.74 1ckv s ILE 85 CO 0.00 -0.59 0.08 -1.83 -1.91 0.00 0.00 174.94 170.69 1ckv s GLU 86 N -2.59 -0.03 -0.15 3.50 -1.05 -1.26 0.52 118.70 117.64 1ckv s GLU 86 Ca -0.05 0.35 -0.16 0.00 -0.15 0.00 0.00 54.97 54.96 1ckv s GLU 86 Cb -0.01 -0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.29 1ckv s GLU 86 CO -0.04 -0.25 0.37 0.08 0.95 0.00 0.00 175.26 176.37 1ckv s VAL 87 N 1.71 5.25 0.51 1.83 1.01 0.25 -4.88 120.40 126.07 1ckv s VAL 87 Ca -0.02 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 1ckv s VAL 87 Cb -0.12 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1ckv s VAL 87 CO -0.04 0.35 1.02 -1.81 0.00 0.00 0.00 175.10 174.62 1ckv s ASP 88 N 0.61 6.36 -0.44 3.32 1.01 -1.26 -0.09 116.67 126.17 1ckv s ASP 88 Ca 0.20 1.81 -0.07 0.00 0.71 0.00 0.00 52.55 55.20 1ckv s ASP 88 Cb -0.14 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.36 1ckv s ASP 88 CO 0.07 -0.77 0.29 0.00 0.21 0.00 0.00 175.17 174.96 1ckv n ASP 90 N 4.81 0.00 0.02 0.00 8.00 -1.26 -4.60 116.55 123.51 1ckv n ASP 90 Ca -0.06 0.00 -0.01 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 -0.33 -0.39 0.00 0.00 177.20 176.48 1ckv h GLU 91 N 0.00 -0.05 0.11 -1.24 4.39 -2.00 -2.11 114.58 113.68 1ckv h GLU 91 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ckv h GLU 91 Cb 0.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ckv h GLU 91 CO 0.00 -0.03 -0.08 0.97 -1.16 0.00 0.00 179.01 178.71 1ckv h ILE 92 N -0.09 0.82 -0.83 3.13 2.10 -1.90 -2.22 117.51 118.52 1ckv h ILE 92 Ca -0.00 0.00 0.19 0.00 1.08 0.00 0.00 64.86 66.13 1ckv h ILE 92 Cb 0.04 0.82 -0.05 0.00 -1.09 0.00 0.00 36.82 36.53 1ckv h ILE 92 CO 0.01 0.00 0.56 0.77 -1.08 0.00 0.00 178.15 178.41 1ckv h SER 93 N -0.20 0.31 -0.30 2.19 4.64 -1.89 1.23 113.55 119.54 1ckv h SER 93 Ca -0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1ckv h SER 93 Cb 0.18 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1ckv h SER 93 CO -0.01 0.13 0.15 -0.33 -0.87 0.00 0.00 176.83 175.90 1ckv h GLU 94 N 0.31 0.42 0.00 4.77 4.39 -0.74 0.65 114.58 124.38 1ckv h GLU 94 Ca 0.42 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 1ckv h GLU 94 Cb 1.15 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1ckv h GLU 94 CO -0.12 0.40 -1.02 -0.11 -1.16 0.00 0.00 179.01 176.99 1ckv n LEU 95 N -4.79 0.84 -1.26 1.33 -0.00 -0.39 -2.57 117.00 110.16 1ckv n LEU 95 Ca -0.02 0.32 0.11 0.00 -0.00 0.00 0.00 56.01 56.43 1ckv n LEU 95 Cb 0.10 -0.06 0.30 0.00 -0.00 0.00 0.00 43.42 43.76 1ckv n LEU 95 CO 0.35 -0.18 0.75 -0.11 -0.00 0.00 0.00 177.39 178.21 1ckv n LEU 96 N -2.67 3.64 0.00 -1.96 -0.00 0.41 -4.84 117.00 111.58 1ckv n LEU 96 Ca -0.00 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.19 1ckv n LEU 96 Cb 0.55 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1ckv n LEU 96 CO 0.40 0.91 0.00 0.61 -0.00 0.00 0.00 177.39 179.31 1ckv n GLY 97 N 1.58 0.26 2.95 -3.96 0.00 0.23 -4.91 105.19 101.33 1ckv n GLY 97 Ca 0.23 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.39 1.61 -4.01 0.20 -1.87 116.66 111.20 1ckv n ARG 98 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 1ckv n ARG 98 Cb 0.00 -0.97 -0.06 0.00 -3.04 0.00 0.00 32.46 28.39 1ckv n ARG 98 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 1ckv n GLN 99 N 2.32 -1.32 0.00 2.89 6.02 -1.26 -4.95 117.38 121.07 1ckv n GLN 99 Ca -0.01 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 1ckv n GLN 99 Cb 0.54 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.60 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 -2.41 -3.09 -4.19 1.08 3.01 -0.78 -5.10 117.46 105.99 1ckv n PHE 100 Ca -0.13 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.14 1ckv n PHE 100 Cb 0.54 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.89 1ckv n PHE 100 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ckv s ASN 101 N -1.22 1.74 1.03 4.37 4.22 -1.26 -5.11 114.94 118.72 1ckv s ASN 101 Ca 0.00 -0.66 -0.12 0.00 -2.14 0.00 0.00 52.86 49.94 1ckv s ASN 101 Cb 0.00 -0.05 0.21 0.00 1.28 0.00 0.00 41.25 42.69 1ckv s ASN 101 CO 0.00 -0.09 1.07 0.54 -2.04 0.00 0.00 177.10 176.58 1ckv s VAL 102 N -1.45 2.20 0.00 3.54 0.11 -1.26 -3.34 120.40 120.21 1ckv s VAL 102 Ca 0.00 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1ckv s VAL 102 Cb -0.09 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1ckv s VAL 102 CO 0.02 -0.09 0.00 -1.22 -3.33 0.00 0.00 175.10 170.49 1ckv n TYR 103 N -4.43 0.00 0.06 1.54 4.01 -1.26 -4.85 117.16 112.23 1ckv n TYR 103 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1ckv n TYR 103 Cb 0.55 -0.78 -0.11 0.00 -0.31 0.00 0.00 39.34 38.69 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 0.01 0.05 7.72 1.82 -1.99 -1.68 116.42 122.35 1ckv h ASP 104 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1ckv h ASP 104 Cb 0.30 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1ckv h ASP 104 CO 0.00 0.99 -0.00 2.22 -1.61 0.00 0.00 179.24 180.84 1ckv n PHE 105 N -3.37 0.00 -2.34 0.28 -1.74 -1.26 -3.56 117.46 105.46 1ckv n PHE 105 Ca -0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 1ckv n PHE 105 Cb 0.93 -0.03 -0.01 0.00 1.52 0.00 0.00 39.48 41.90 1ckv n PHE 105 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1ckv n LEU 106 N -0.93 0.41 0.02 5.98 0.00 -1.19 -4.72 117.00 116.57 1ckv n LEU 106 Ca 0.23 -1.95 -0.12 0.00 0.00 0.00 0.00 56.01 54.16 1ckv n LEU 106 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.43 1ckv n LEU 106 CO 0.18 0.77 -0.42 1.62 0.00 0.00 0.00 177.39 179.55 1ckv h VAL 107 N 6.43 1.02 0.00 1.96 3.04 -1.35 -3.44 116.25 123.91 1ckv h VAL 107 Ca -0.31 -2.78 -0.04 0.00 -1.01 0.00 0.00 66.70 62.56 1ckv h VAL 107 Cb 1.74 2.58 -0.04 0.00 -2.01 0.00 0.00 31.29 33.56 1ckv h VAL 107 CO -0.01 0.70 -0.07 -0.67 -1.01 0.00 0.00 177.57 176.51 1ckv n ASP 108 N -3.26 -0.34 -4.68 3.17 2.03 -1.26 -5.11 116.55 107.10 1ckv n ASP 108 Ca -0.16 -1.04 -0.29 0.00 0.52 0.00 0.00 54.79 53.82 1ckv n ASP 108 Cb 1.03 0.15 0.17 0.00 -0.72 0.00 0.00 41.12 41.74 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 0.02 2.27 0.24 5.18 -7.23 -1.26 -4.92 120.40 114.70 1ckv s VAL 109 Ca 0.02 0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1ckv s VAL 109 Cb 0.08 -2.56 0.25 0.00 0.56 0.00 0.00 36.38 34.71 1ckv s VAL 109 CO -0.02 -0.11 1.65 0.28 -0.31 0.00 0.00 175.10 176.58 1ckv h SER 110 N -1.80 -0.25 -5.22 4.85 0.02 -1.96 -3.46 113.55 105.73 1ckv h SER 110 Ca -0.53 0.18 0.33 0.00 -0.84 0.00 0.00 61.79 60.93 1ckv h SER 110 Cb 1.31 0.30 -0.15 0.00 0.14 0.00 0.00 62.40 64.00 1ckv h SER 110 CO 0.56 -0.14 0.90 -0.94 -1.14 0.00 0.00 176.83 176.07 1ckv s SER 111 N -5.20 -0.05 0.00 3.07 1.04 -1.07 -5.06 113.70 106.43 1ckv s SER 111 Ca -0.13 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1ckv s SER 111 Cb 0.22 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1ckv s SER 111 CO 0.75 -0.16 0.00 1.07 0.98 0.00 0.00 173.24 175.88 1ckv n THR 112 N -0.33 0.00 -2.73 2.02 5.66 -1.26 -2.28 114.28 115.36 1ckv n THR 112 Ca -0.05 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.53 1ckv n THR 112 Cb 0.61 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 1ckv n THR 112 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1ckv s ILE 113 N 0.00 4.63 0.00 1.09 -1.09 0.20 -4.90 121.20 121.13 1ckv s ILE 113 Ca 0.00 1.65 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1ckv s ILE 113 Cb 0.00 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1ckv s ILE 113 CO 0.00 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 173.98 1ckv n GLY 114 N 3.84 4.83 3.66 6.18 0.00 -1.26 -2.07 105.19 120.37 1ckv n GLY 114 Ca 0.10 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.40 4.23 -0.20 1.61 0.52 0.54 -4.72 118.95 116.53 1ckv s ARG 115 Ca 0.00 1.54 -0.06 0.00 -0.52 0.00 0.00 55.73 56.69 1ckv s ARG 115 Cb 0.00 -3.73 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 1ckv s ARG 115 CO 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 175.30 174.64 1ckv s ALA 116 N 3.44 3.12 -0.07 2.13 0.00 -1.26 0.04 121.76 129.15 1ckv s ALA 116 Ca 0.51 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1ckv s ALA 116 Cb -0.19 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1ckv s ALA 116 CO 0.12 -0.11 -0.06 1.52 0.00 0.00 0.00 175.76 177.23 1ckv s TYR 117 N 0.92 1.05 0.23 0.00 -0.85 -0.74 -5.00 117.35 112.96 1ckv s TYR 117 Ca 0.02 -0.39 -0.09 0.00 -0.52 0.00 0.00 57.07 56.09 1ckv s TYR 117 Cb -0.14 -0.91 -0.07 0.00 0.38 0.00 0.00 41.96 41.22 1ckv s TYR 117 CO 0.02 -0.31 0.54 -0.08 -1.52 0.00 0.00 175.55 174.20 1ckv s THR 118 N 1.24 4.95 -0.25 -3.49 -1.32 -1.26 -2.40 115.64 113.11 1ckv s THR 118 Ca -0.05 0.42 -0.05 0.00 -1.21 0.00 0.00 61.69 60.80 1ckv s THR 118 Cb -0.14 -3.62 0.13 0.00 -1.51 0.00 0.00 72.50 67.36 1ckv s THR 118 CO -0.02 -0.08 0.50 -1.48 -2.21 0.00 0.00 174.62 171.33 1ckv s LEU 119 N -2.85 -0.91 0.00 9.08 0.05 -1.25 -5.00 118.68 117.80 1ckv s LEU 119 Ca 0.47 0.93 0.00 0.00 0.05 0.00 0.00 54.13 55.58 1ckv s LEU 119 Cb -0.11 1.68 0.00 0.00 -2.05 0.00 0.00 46.19 45.71 1ckv s LEU 119 CO 0.22 -0.25 0.00 0.61 -0.55 0.00 0.00 176.35 176.38 1ckv n GLY 120 N 5.41 0.99 2.53 -3.48 0.00 -1.26 -3.37 105.19 106.00 1ckv n GLY 120 Ca -0.07 0.48 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 2.56 0.00 1.61 2.47 -1.26 -4.99 114.94 111.33 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 -0.69 0.00 0.00 -1.45 0.00 0.00 41.25 39.11 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 -3.30 0.43 5.02 -1.22 -4.28 118.16 117.87 1ckv n LYS 122 Ca 0.22 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.12 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 3.61 -0.06 2.13 -0.71 0.87 -3.91 117.98 119.91 1ckv s PHE 123 Ca 0.00 1.02 -0.00 0.00 -1.04 0.00 0.00 56.93 56.91 1ckv s PHE 123 Cb 0.00 -2.53 -0.03 0.00 -1.21 0.00 0.00 43.02 39.25 1ckv s PHE 123 CO 0.00 0.32 -0.02 0.95 -1.34 0.00 0.00 175.22 175.13 1ckv s THR 124 N 0.04 4.13 -0.21 -4.49 -4.23 -1.01 0.86 115.64 110.73 1ckv s THR 124 Ca 0.27 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1ckv s THR 124 Cb -0.17 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 70.95 1ckv s THR 124 CO 0.13 0.55 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.99 1ckv s ILE 125 N -0.91 2.35 0.21 2.99 1.09 0.18 -1.80 121.20 125.31 1ckv s ILE 125 Ca 0.14 -1.03 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 1ckv s ILE 125 Cb -0.11 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.15 1ckv s ILE 125 CO 0.04 0.37 0.37 0.28 -0.10 0.00 0.00 174.94 175.90 1ckv s THR 126 N 1.28 5.24 0.00 2.92 -1.32 0.11 -2.02 115.64 121.84 1ckv s THR 126 Ca 0.02 -0.56 0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1ckv s THR 126 Cb -0.15 -3.77 0.01 0.00 -1.51 0.00 0.00 72.50 67.09 1ckv s THR 126 CO -0.09 -0.21 0.83 -0.24 -2.21 0.00 0.00 174.62 172.70 1ckv n SER 127 N -0.85 0.01 -4.00 8.08 2.88 -1.26 0.20 113.62 118.68 1ckv n SER 127 Ca -0.06 -1.65 -0.31 0.00 -1.33 0.00 0.00 58.87 55.51 1ckv n SER 127 Cb 0.55 -0.12 -0.15 0.00 -0.75 0.00 0.00 64.21 63.73 1ckv n SER 127 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ckv s GLU 128 N 0.00 1.82 -0.30 -1.46 2.02 -1.26 -4.27 118.70 115.25 1ckv s GLU 128 Ca 0.01 -1.31 -0.06 0.00 0.02 0.00 0.00 54.97 53.63 1ckv s GLU 128 Cb 0.01 -2.81 0.19 0.00 0.10 0.00 0.00 34.13 31.63 1ckv s GLU 128 CO -0.01 -0.67 0.89 -0.51 0.02 0.00 0.00 175.26 174.98 1ckv s LEU 129 N 1.19 -0.84 -0.00 1.80 1.02 -1.26 -5.02 118.68 115.57 1ckv s LEU 129 Ca -0.03 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.27 1ckv s LEU 129 Cb -0.19 1.55 0.00 0.00 0.02 0.00 0.00 46.19 47.57 1ckv s LEU 129 CO -0.07 -0.15 0.79 0.80 0.02 0.00 0.00 176.35 177.74 1ckv n MET 130 N 5.26 0.04 -0.09 1.70 1.56 -1.26 -4.89 117.12 119.44 1ckv n MET 130 Ca 0.06 -0.81 -0.18 0.00 -0.27 0.00 0.00 57.70 56.50 1ckv n MET 130 Cb 0.56 -0.52 -0.11 0.00 2.15 0.00 0.00 33.22 35.31 1ckv n MET 130 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1ckv h GLY 131 N 0.00 0.00 -4.26 -5.12 0.00 -2.06 -3.51 103.07 88.12 1ckv h GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ckv h GLY 131 CO 0.00 0.00 -0.91 -0.10 0.00 0.00 0.00 176.54 175.53 1ckv n LEU 132 N -4.49 -6.00 -2.09 3.11 7.94 -1.26 -4.99 117.00 109.22 1ckv n LEU 132 Ca -0.25 2.99 0.00 0.00 -1.11 0.00 0.00 56.01 57.64 1ckv n LEU 132 Cb 0.59 -3.06 0.05 0.00 0.53 0.00 0.00 43.42 41.53 1ckv n LEU 132 CO 0.20 -1.95 0.06 0.47 -1.11 0.00 0.00 177.39 175.06 1ckv n ASP 133 N 1.78 1.61 -0.17 1.96 8.00 -1.26 -4.87 116.55 123.60 1ckv n ASP 133 Ca 0.00 -2.27 -0.02 0.00 0.71 0.00 0.00 54.79 53.21 1ckv n ASP 133 Cb 0.00 -0.40 0.08 0.00 -0.02 0.00 0.00 41.12 40.78 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 1.83 0.30 -0.25 -1.24 9.65 -2.02 -2.36 114.38 120.29 1ckv h ARG 134 Ca -0.13 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.59 1ckv h ARG 134 Cb 1.52 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.95 1ckv h ARG 134 CO 0.18 0.20 -0.29 0.36 2.80 0.00 0.00 179.97 183.22 1ckv n LYS 135 N -5.06 1.87 0.00 0.20 0.00 -1.26 -5.01 118.16 108.90 1ckv n LYS 135 Ca 0.07 -3.31 0.00 0.00 -0.00 0.00 0.00 58.31 55.06 1ckv n LYS 135 Cb 0.25 -1.78 0.00 0.00 -0.00 0.00 0.00 35.03 33.50 1ckv n LYS 135 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ckv n LEU 136 N -1.09 0.00 0.00 -5.58 4.77 -0.89 -4.93 117.00 109.27 1ckv n LEU 136 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1ckv n LEU 136 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1ckv n LEU 136 CO 0.12 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.56 1ckv n GLU 137 N 0.00 0.00 -4.61 3.23 -0.58 -1.26 -4.74 120.64 112.68 1ckv n GLU 137 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1ckv n GLU 137 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 1ckv n GLU 137 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1ckv s ASP 138 N 0.00 1.68 -0.45 1.62 1.47 -1.26 -5.07 116.67 114.66 1ckv s ASP 138 Ca 0.00 -0.29 0.07 0.00 1.18 0.00 0.00 52.55 53.51 1ckv s ASP 138 Cb 0.00 -0.17 0.28 0.00 -0.34 0.00 0.00 42.92 42.69 1ckv s ASP 138 CO 0.00 0.15 0.90 0.00 0.68 0.00 0.00 175.17 176.91 1ckv n TYR 139 N 2.59 -2.39 -4.27 2.11 9.36 -1.26 -5.02 117.16 118.29 1ckv n TYR 139 Ca -0.15 -2.36 -0.20 0.00 3.32 0.00 0.00 57.90 58.51 1ckv n TYR 139 Cb 0.55 1.11 -0.13 0.00 -0.63 0.00 0.00 39.34 40.24 1ckv n TYR 139 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ckv s HIS 140 N -0.06 1.37 0.00 2.98 2.46 -1.26 -5.23 115.29 115.54 1ckv s HIS 140 Ca 0.30 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.41 1ckv s HIS 140 Cb 0.26 -0.78 0.00 0.00 -0.13 0.00 0.00 32.58 31.93 1ckv s HIS 140 CO -0.14 0.08 0.00 0.00 -2.47 0.00 0.00 174.74 172.21