#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckv n SER 2 N 0.00 0.96 -4.60 7.83 2.88 -1.26 -5.07 113.62 114.35 1ckv n SER 2 Ca 0.00 -2.03 -0.43 0.00 -1.33 0.00 0.00 58.87 55.08 1ckv n SER 2 Cb 0.00 -0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 63.17 1ckv n SER 2 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ckv s VAL 3 N -1.89 3.99 0.32 2.46 1.01 -1.26 -5.00 120.40 120.03 1ckv s VAL 3 Ca 0.26 1.01 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 1ckv s VAL 3 Cb 0.34 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1ckv s VAL 3 CO -0.09 -0.82 0.81 0.21 0.00 0.00 0.00 175.10 175.21 1ckv s ASN 4 N 3.52 6.96 0.00 3.32 3.84 -1.26 -4.95 114.94 126.37 1ckv s ASN 4 Ca 0.58 1.48 0.00 0.00 0.21 0.00 0.00 52.86 55.13 1ckv s ASN 4 Cb -0.12 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1ckv s ASN 4 CO 0.32 -0.17 0.00 -0.24 -2.79 0.00 0.00 177.10 174.23 1ckv n SER 5 N -0.04 0.00 -2.71 -4.21 2.88 -1.26 -5.13 113.62 103.15 1ckv n SER 5 Ca 0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 1ckv n SER 5 Cb 0.52 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1ckv n SER 5 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ckv n ASN 6 N -1.11 -3.57 -4.39 -3.46 5.15 -1.26 -4.97 115.26 101.65 1ckv n ASN 6 Ca 0.00 1.31 -0.37 0.00 -0.60 0.00 0.00 54.58 54.91 1ckv n ASN 6 Cb 0.00 -4.84 -0.12 0.00 -0.53 0.00 0.00 39.78 34.29 1ckv n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ckv s ALA 7 N -0.93 3.14 0.00 5.20 0.00 -1.26 -5.07 121.76 122.83 1ckv s ALA 7 Ca -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1ckv s ALA 7 Cb 0.01 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1ckv s ALA 7 CO 0.70 -0.83 0.00 2.48 0.00 0.00 0.00 175.76 178.11 1ckv n TYR 8 N 4.91 0.00 0.18 0.00 4.11 -1.26 -3.25 117.16 121.85 1ckv n TYR 8 Ca -0.15 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 57.90 1ckv n TYR 8 Cb 0.49 0.00 0.50 0.00 -0.00 0.00 0.00 39.34 40.33 1ckv n TYR 8 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 1ckv h ASP 9 N 0.00 0.00 1.08 9.48 2.03 -1.98 1.20 116.42 128.23 1ckv h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ckv h ASP 9 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ckv h ASP 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1ckv h ALA 10 N 0.83 1.00 0.00 4.15 0.00 -2.00 -3.30 119.26 119.94 1ckv h ALA 10 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ckv h ALA 10 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ckv h ALA 10 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ckv n GLY 11 N 0.42 0.45 0.17 0.00 0.00 0.39 -4.78 105.19 101.84 1ckv n GLY 11 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.62 0.00 -0.15 -0.61 -0.00 -0.90 1.01 117.51 117.48 1ckv h ILE 12 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 64.86 64.62 1ckv h ILE 12 Cb 0.31 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 38.12 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 -2.44 1.38 0.00 0.16 0.00 -1.26 -2.10 117.12 112.86 1ckv n MET 13 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 57.70 57.12 1ckv n MET 13 Cb 0.21 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.26 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 0.79 -0.28 0.00 3.03 0.00 -0.26 -4.39 105.19 104.08 1ckv n GLY 14 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.37 0.00 -0.97 0.99 7.99 0.33 -0.84 117.00 122.14 1ckv n LEU 15 Ca 0.00 0.50 0.07 0.00 -0.01 0.00 0.00 56.01 56.58 1ckv n LEU 15 Cb 0.00 -0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.53 1ckv n LEU 15 CO 0.00 -0.00 0.68 0.29 -1.51 0.00 0.00 177.39 176.85 1ckv n LYS 16 N -0.56 2.32 -0.00 3.23 5.02 -1.26 -3.88 118.16 123.02 1ckv n LYS 16 Ca 0.00 -1.80 0.02 0.00 -2.02 0.00 0.00 58.31 54.51 1ckv n LYS 16 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 1ckv n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ckv n GLY 17 N 1.17 -0.25 2.66 0.72 0.00 -0.89 -4.84 105.19 103.75 1ckv n GLY 17 Ca 0.17 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.36 1.70 0.00 1.61 2.47 -0.02 -4.74 119.74 118.40 1ckv s LYS 18 Ca -0.02 -2.72 0.00 0.00 -1.56 0.00 0.00 55.97 51.67 1ckv s LYS 18 Cb 0.03 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.94 1ckv s LYS 18 CO 0.23 -1.33 0.35 -3.47 0.16 0.00 0.00 175.35 171.29 1ckv n ASP 19 N 2.44 0.00 -0.98 1.43 2.03 -1.26 -4.67 116.55 115.55 1ckv n ASP 19 Ca 0.24 -1.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.42 1ckv n ASP 19 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 0.00 0.89 -0.67 7.35 -1.26 -4.82 117.46 118.95 1ckv n PHE 20 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 1ckv n PHE 20 Cb 0.49 -2.65 0.54 0.00 0.35 0.00 0.00 39.48 38.22 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 1.24 2.15 0.56 3.13 0.00 -1.26 -2.68 120.51 123.64 1ckv n ALA 21 Ca -0.13 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1ckv n ALA 21 Cb 0.53 -1.40 0.19 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.47 2.45 -0.12 0.00 8.00 -1.26 -3.71 116.55 120.43 1ckv n ASP 22 Ca 0.07 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1ckv n ASP 22 Cb 0.28 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1ckv n ASP 22 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1ckv n GLN 23 N 0.69 0.00 -0.10 -1.24 0.00 -1.09 -4.89 117.38 110.74 1ckv n GLN 23 Ca 0.14 -0.54 -0.19 0.00 -0.00 0.00 0.00 57.00 56.41 1ckv n GLN 23 Cb 0.41 -0.43 -0.06 0.00 0.00 0.00 0.00 30.24 30.16 1ckv n GLN 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1ckv n PHE 24 N 0.00 0.00 -4.05 3.69 3.01 -1.21 -4.92 117.46 113.98 1ckv n PHE 24 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1ckv n PHE 24 Cb 0.54 -0.71 -0.15 0.00 -0.01 0.00 0.00 39.48 39.16 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 -2.56 3.09 0.00 1.38 0.08 -1.26 -5.07 117.98 113.64 1ckv s PHE 25 Ca -0.30 -2.20 0.00 0.00 0.12 0.00 0.00 56.93 54.55 1ckv s PHE 25 Cb 0.10 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1ckv s PHE 25 CO 0.40 -0.86 0.00 0.00 -0.10 0.00 0.00 175.22 174.66 1ckv n ALA 26 N 4.48 0.00 -1.19 5.36 0.00 -1.26 -4.87 120.51 123.03 1ckv n ALA 26 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1ckv n ALA 26 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1ckv n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 27 N 0.00 -4.48 0.16 0.00 2.03 -1.26 -4.86 116.55 108.14 1ckv n ASP 27 Ca 0.00 0.16 0.18 0.00 0.52 0.00 0.00 54.79 55.65 1ckv n ASP 27 Cb 0.00 -2.55 0.79 0.00 -0.72 0.00 0.00 41.12 38.64 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 0.20 0.00 -0.24 -0.67 5.08 -2.04 -3.39 114.58 113.52 1ckv h GLU 28 Ca -0.13 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.47 1ckv h GLU 28 Cb 0.65 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.71 1ckv h GLU 28 CO 0.19 0.00 0.09 -0.80 -1.00 0.00 0.00 179.01 177.49 1ckv s ASN 29 N -5.76 -0.36 0.06 1.42 0.02 -1.26 -5.18 114.94 103.88 1ckv s ASN 29 Ca -0.05 0.13 -0.00 0.00 -1.02 0.00 0.00 52.86 51.92 1ckv s ASN 29 Cb 0.16 1.26 -0.04 0.00 0.02 0.00 0.00 41.25 42.65 1ckv s ASN 29 CO 0.57 -0.07 -0.04 -1.10 0.02 0.00 0.00 177.10 176.49 1ckv s GLN 30 N 2.96 0.63 -0.15 -0.60 -0.21 -1.26 -5.15 119.66 115.87 1ckv s GLN 30 Ca 0.12 -1.20 0.01 0.00 0.02 0.00 0.00 55.36 54.31 1ckv s GLN 30 Cb -0.06 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1ckv s GLN 30 CO -0.16 -0.09 -0.18 0.54 -2.12 0.00 0.00 175.29 173.28 1ckv s VAL 31 N -3.72 2.40 -0.11 1.09 0.11 -1.26 -5.11 120.40 113.79 1ckv s VAL 31 Ca 0.06 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1ckv s VAL 31 Cb 0.06 -2.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 1ckv s VAL 31 CO -0.09 0.53 -0.06 0.54 -3.33 0.00 0.00 175.10 172.69 1ckv s VAL 32 N 0.90 3.74 -0.28 2.04 0.11 -1.26 -5.09 120.40 120.55 1ckv s VAL 32 Ca -0.04 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.52 1ckv s VAL 32 Cb -0.15 -2.58 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1ckv s VAL 32 CO -0.02 0.55 0.04 -1.00 -3.33 0.00 0.00 175.10 171.33 1ckv s HIS 33 N -0.20 3.12 -0.43 1.54 3.76 -1.26 -4.76 115.29 117.06 1ckv s HIS 33 Ca 0.03 -1.14 -0.01 0.00 -0.15 0.00 0.00 55.06 53.79 1ckv s HIS 33 Cb -0.13 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.38 1ckv s HIS 33 CO 0.03 -0.62 0.03 0.39 -0.85 0.00 0.00 174.74 173.72 1ckv n GLU 34 N 4.81 -0.97 -3.31 1.40 4.71 -1.26 -4.83 120.64 121.18 1ckv n GLU 34 Ca -0.15 0.03 -0.38 0.00 -0.01 0.00 0.00 57.16 56.65 1ckv n GLU 34 Cb 0.48 -1.02 -0.06 0.00 -1.01 0.00 0.00 31.44 29.83 1ckv n GLU 34 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ckv s SER 35 N -3.03 6.66 -0.13 1.62 0.15 -1.26 -4.94 113.70 112.78 1ckv s SER 35 Ca 0.04 0.79 0.17 0.00 0.70 0.00 0.00 55.95 57.65 1ckv s SER 35 Cb -0.03 -2.28 0.36 0.00 -1.71 0.00 0.00 66.02 62.36 1ckv s SER 35 CO 0.27 -0.02 1.18 0.47 1.20 0.00 0.00 173.24 176.34 1ckv n ASP 36 N 3.79 0.32 -4.88 5.45 9.92 -1.26 -4.98 116.55 124.91 1ckv n ASP 36 Ca -0.07 -2.04 -0.30 0.00 -0.53 0.00 0.00 54.79 51.85 1ckv n ASP 36 Cb 0.51 -0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 40.91 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 -1.00 4.79 -0.36 -3.53 2.01 -1.26 -3.30 115.64 112.99 1ckv s THR 37 Ca 0.21 0.60 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 1ckv s THR 37 Cb 0.30 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 69.11 1ckv s THR 37 CO -0.09 -0.61 0.13 -0.69 -0.69 0.00 0.00 174.62 172.67 1ckv s VAL 38 N -2.48 3.59 0.17 3.82 1.01 0.90 -4.71 120.40 122.69 1ckv s VAL 38 Ca 0.51 -1.41 0.11 0.00 0.00 0.00 0.00 61.98 61.19 1ckv s VAL 38 Cb -0.10 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1ckv s VAL 38 CO 0.34 -0.32 -0.24 -0.69 0.00 0.00 0.00 175.10 174.20 1ckv s VAL 39 N 1.32 2.39 -0.29 2.92 1.01 -0.98 -1.07 120.40 125.71 1ckv s VAL 39 Ca 0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 61.98 59.94 1ckv s VAL 39 Cb -0.21 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.18 1ckv s VAL 39 CO 0.00 -0.03 0.86 -1.48 0.00 0.00 0.00 175.10 174.45 1ckv s LEU 40 N -2.43 -0.71 -0.12 3.92 2.34 -1.06 0.17 118.68 120.79 1ckv s LEU 40 Ca 0.18 1.10 -0.01 0.00 0.06 0.00 0.00 54.13 55.47 1ckv s LEU 40 Cb -0.09 2.00 -0.02 0.00 -0.56 0.00 0.00 46.19 47.52 1ckv s LEU 40 CO 0.09 -0.17 -0.10 0.68 -1.06 0.00 0.00 176.35 175.79 1ckv s VAL 41 N 1.62 3.40 -0.01 1.48 -7.23 -0.36 -2.74 120.40 116.56 1ckv s VAL 41 Ca -0.09 -0.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 1ckv s VAL 41 Cb -0.05 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1ckv s VAL 41 CO -0.17 0.53 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.77 1ckv s LEU 42 N 0.08 2.03 0.04 1.32 2.96 -1.23 -2.63 118.68 121.25 1ckv s LEU 42 Ca -0.03 -0.29 -0.37 0.00 -0.22 0.00 0.00 54.13 53.22 1ckv s LEU 42 Cb -0.14 -0.80 -0.16 0.00 0.50 0.00 0.00 46.19 45.58 1ckv s LEU 42 CO 0.04 0.19 1.43 0.29 -1.32 0.00 0.00 176.35 176.97 1ckv n LYS 43 N 2.67 1.25 -2.50 1.98 4.76 -1.26 -2.61 118.16 122.45 1ckv n LYS 43 Ca -0.15 0.45 -0.40 0.00 -2.87 0.00 0.00 58.31 55.35 1ckv n LYS 43 Cb 0.55 -2.11 -0.02 0.00 -1.84 0.00 0.00 35.03 31.60 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ckv s LYS 44 N 1.01 3.57 0.36 1.97 2.36 -0.87 -4.34 119.74 123.80 1ckv s LYS 44 Ca 0.86 -1.29 0.04 0.00 -2.55 0.00 0.00 55.97 53.04 1ckv s LYS 44 Cb -0.94 -5.38 -0.06 0.00 -1.05 0.00 0.00 37.83 30.40 1ckv s LYS 44 CO 0.49 -2.39 0.05 0.45 1.55 0.00 0.00 175.35 175.50 1ckv s SER 45 N 5.10 2.86 0.29 1.43 0.15 -1.26 -4.90 113.70 117.36 1ckv s SER 45 Ca 0.51 -1.43 0.10 0.00 0.70 0.00 0.00 55.95 55.84 1ckv s SER 45 Cb 0.00 -0.05 0.55 0.00 -1.71 0.00 0.00 66.02 64.82 1ckv s SER 45 CO -0.03 -0.63 1.17 0.47 1.20 0.00 0.00 173.24 175.42 1ckv n ASP 46 N -0.85 0.26 0.11 5.45 8.00 -1.26 -1.10 116.55 127.15 1ckv n ASP 46 Ca -0.04 0.49 -0.05 0.00 0.71 0.00 0.00 54.79 55.90 1ckv n ASP 46 Cb 0.67 -0.42 -0.02 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 -0.30 -0.46 -1.24 4.81 -1.93 -3.08 114.58 112.38 1ckv h GLU 47 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ckv h GLU 47 Cb 0.69 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1ckv h GLU 47 CO 0.00 -0.20 0.25 0.82 -0.73 0.00 0.00 179.01 179.15 1ckv h ILE 48 N -0.70 1.17 -0.80 2.32 5.03 -1.31 -2.95 117.51 120.26 1ckv h ILE 48 Ca -0.03 -0.43 0.12 0.00 -0.12 0.00 0.00 64.86 64.39 1ckv h ILE 48 Cb 0.24 0.61 -0.13 0.00 -3.03 0.00 0.00 36.82 34.51 1ckv h ILE 48 CO 0.05 0.18 -0.43 0.78 -0.68 0.00 0.00 178.15 178.05 1ckv h ASN 49 N 0.60 -1.54 0.00 1.72 2.35 -1.27 0.28 115.58 117.73 1ckv h ASN 49 Ca 0.16 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 1ckv h ASN 49 Cb 0.06 0.74 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1ckv h ASN 49 CO -0.03 -0.30 0.00 0.41 -1.65 0.00 0.00 177.43 175.87 1ckv n THR 50 N -5.41 0.00 -0.39 2.81 -1.04 -1.16 -2.86 114.28 106.24 1ckv n THR 50 Ca 0.05 0.76 -0.03 0.00 -2.04 0.00 0.00 64.05 62.79 1ckv n THR 50 Cb 0.36 -1.49 0.02 0.00 -1.82 0.00 0.00 70.33 67.40 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 -0.83 -0.05 -0.28 -1.42 -1.74 -1.13 0.85 117.46 112.86 1ckv n PHE 51 Ca 0.00 1.22 0.10 0.00 -0.56 0.00 0.00 57.45 58.21 1ckv n PHE 51 Cb 0.00 -0.82 0.24 0.00 1.52 0.00 0.00 39.48 40.42 1ckv n PHE 51 CO 0.00 0.00 0.00 0.97 -0.56 0.00 0.00 176.76 177.17 1ckv h ILE 52 N 0.00 0.32 -0.96 1.97 6.09 -1.08 1.37 117.51 125.22 1ckv h ILE 52 Ca 0.31 -0.06 0.07 0.00 -1.37 0.00 0.00 64.86 63.81 1ckv h ILE 52 Cb 0.56 0.14 -0.07 0.00 0.47 0.00 0.00 36.82 37.92 1ckv h ILE 52 CO -0.97 0.03 0.61 1.05 -3.07 0.00 0.00 178.15 175.81 1ckv h GLU 53 N 0.17 1.08 0.00 2.19 4.11 0.60 -2.59 114.58 120.14 1ckv h GLU 53 Ca 0.50 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.86 1ckv h GLU 53 Cb 0.96 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ckv h GLU 53 CO -0.66 0.71 0.00 0.39 0.07 0.00 0.00 179.01 179.52 1ckv n GLU 54 N -4.54 0.00 0.00 1.06 4.71 0.44 -2.72 120.64 119.58 1ckv n GLU 54 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1ckv n GLU 54 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.62 1ckv n GLU 54 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1ckv n ILE 55 N 0.00 0.00 -0.04 -3.67 0.00 0.70 0.20 119.36 116.56 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 -0.07 0.00 0.00 0.00 0.00 39.64 39.57 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 0.09 9.51 4.07 -1.60 -2.79 115.31 125.31 1ckv h LEU 56 Ca 0.00 -0.61 -0.19 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 1.21 -0.91 -0.07 -1.08 0.00 0.00 178.44 177.59 1ckv h LEU 57 N 0.28 0.30 0.00 1.67 -0.00 0.25 -2.10 115.31 115.71 1ckv h LEU 57 Ca -0.02 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 1ckv h LEU 57 Cb 1.15 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1ckv h LEU 57 CO 0.11 1.40 0.00 0.35 -0.00 0.00 0.00 178.44 180.31 1ckv n THR 58 N -4.18 0.00 -0.02 0.22 -2.24 0.44 -2.26 114.28 106.24 1ckv n THR 58 Ca -0.19 1.48 -0.09 0.00 -2.27 0.00 0.00 64.05 62.98 1ckv n THR 58 Cb 0.77 -2.32 -0.14 0.00 -2.10 0.00 0.00 70.33 66.54 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 0.02 1.52 3.42 5.19 -1.65 -2.96 116.42 121.95 1ckv h ASP 59 Ca 0.00 -0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1ckv h ASP 59 Cb 0.00 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1ckv h ASP 59 CO 0.00 1.04 -0.48 1.88 -3.12 0.00 0.00 179.24 178.56 1ckv h TYR 60 N 0.00 0.00 0.03 4.55 0.05 -1.19 -3.01 116.97 117.40 1ckv h TYR 60 Ca -0.28 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.23 1ckv h TYR 60 Cb 2.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.71 1ckv h TYR 60 CO 0.00 0.47 -1.49 1.17 -1.05 0.00 0.00 178.16 177.26 1ckv n LYS 61 N -3.21 0.61 -0.12 4.88 3.00 -0.84 -2.42 118.16 120.05 1ckv n LYS 61 Ca 0.02 0.49 -0.05 0.00 -0.00 0.00 0.00 58.31 58.77 1ckv n LYS 61 Cb 0.72 -1.73 0.03 0.00 0.00 0.00 0.00 35.03 34.05 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 -0.75 0.27 -0.02 1.64 3.64 -1.48 -3.44 116.57 116.43 1ckv h LYS 62 Ca -0.38 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.26 1ckv h LYS 62 Cb 1.49 -0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 33.06 1ckv h LYS 62 CO -0.15 0.18 0.15 0.54 -2.27 0.00 0.00 179.45 177.89 1ckv s ASN 63 N -5.36 -0.04 0.00 4.20 6.03 -1.14 -5.06 114.94 113.58 1ckv s ASN 63 Ca -0.13 0.01 0.00 0.00 -1.03 0.00 0.00 52.86 51.71 1ckv s ASN 63 Cb 0.13 1.03 0.00 0.00 -3.03 0.00 0.00 41.25 39.37 1ckv s ASN 63 CO 0.72 -0.01 0.00 0.52 -2.03 0.00 0.00 177.10 176.30 1ckv n VAL 64 N 5.12 0.00 0.00 3.54 0.31 -1.22 -4.73 118.33 121.35 1ckv n VAL 64 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1ckv n VAL 64 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 -2.74 0.00 0.12 4.52 4.13 -1.02 -5.03 115.26 115.24 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 0.17 0.00 -1.54 0.00 0.00 39.78 38.41 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 -0.14 3.52 0.13 -1.94 -3.36 132.00 130.21 1ckv h PRO 66 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1ckv h PRO 66 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1ckv h PRO 66 CO 0.00 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 177.74 1ckv h THR 67 N 0.00 0.87 -0.04 1.56 1.03 -1.92 -3.40 112.91 111.02 1ckv h THR 67 Ca 0.00 -0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.15 1ckv h THR 67 Cb 0.87 0.86 -0.08 0.00 -1.07 0.00 0.00 68.15 68.73 1ckv h THR 67 CO 0.00 0.00 1.57 0.55 -0.01 0.00 0.00 175.52 177.64 1ckv n VAL 68 N -5.15 0.00 -4.79 0.00 3.14 -1.25 -4.53 118.33 105.74 1ckv n VAL 68 Ca -0.04 -0.49 -0.32 0.00 -2.96 0.00 0.00 64.34 60.54 1ckv n VAL 68 Cb 0.09 -0.27 -0.13 0.00 -1.06 0.00 0.00 33.84 32.47 1ckv n VAL 68 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ckv s ASN 69 N 1.43 3.89 0.17 6.55 2.20 0.16 -4.93 114.94 124.41 1ckv s ASN 69 Ca 1.03 -0.31 -0.01 0.00 -0.94 0.00 0.00 52.86 52.62 1ckv s ASN 69 Cb -0.60 -0.72 -0.04 0.00 -2.00 0.00 0.00 41.25 37.89 1ckv s ASN 69 CO 0.40 0.30 0.37 0.54 -2.94 0.00 0.00 177.10 175.77 1ckv s VAL 70 N -0.83 5.22 -0.07 3.54 0.11 -1.25 -0.07 120.40 127.05 1ckv s VAL 70 Ca 0.13 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1ckv s VAL 70 Cb -0.11 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1ckv s VAL 70 CO 0.03 -0.10 0.14 -1.61 -3.33 0.00 0.00 175.10 170.23 1ckv s GLU 71 N -3.11 0.03 -0.37 1.54 2.02 0.48 -4.89 118.70 114.40 1ckv s GLU 71 Ca 0.38 0.47 -0.29 0.00 0.02 0.00 0.00 54.97 55.56 1ckv s GLU 71 Cb -0.11 -0.27 0.02 0.00 0.10 0.00 0.00 34.13 33.87 1ckv s GLU 71 CO 0.28 -0.26 1.10 0.34 0.02 0.00 0.00 175.26 176.74 1ckv s ASP 72 N 1.90 6.83 0.00 -0.19 2.15 -1.26 0.13 116.67 126.23 1ckv s ASP 72 Ca -0.01 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.84 1ckv s ASP 72 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1ckv s ASP 72 CO -0.05 -1.01 0.00 -1.14 -0.17 0.00 0.00 175.17 172.80 1ckv n ARG 73 N 7.20 0.00 0.00 4.34 3.00 -1.21 -4.97 116.66 125.02 1ckv n ARG 73 Ca 0.12 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1ckv n ARG 73 Cb 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 32.46 32.34 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 -2.19 2.84 -0.16 5.13 0.00 -1.26 -4.98 120.51 119.88 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 1.34 0.33 3.05 0.00 0.00 -1.26 -5.05 105.19 103.59 1ckv n GLY 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.38 0.14 0.31 1.61 2.02 -1.26 -2.04 117.35 117.75 1ckv s TYR 76 Ca 0.00 -0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.12 1ckv s TYR 76 Cb 0.00 -0.11 -0.09 0.00 -0.40 0.00 0.00 41.96 41.35 1ckv s TYR 76 CO 0.00 -0.24 1.01 -1.58 -1.57 0.00 0.00 175.55 173.17 1ckv s TRP 77 N -1.39 3.63 -0.39 2.71 0.52 -1.07 -3.29 118.94 119.66 1ckv s TRP 77 Ca -0.15 1.76 -0.08 0.00 0.02 0.00 0.00 56.10 57.65 1ckv s TRP 77 Cb -0.09 -3.07 0.06 0.00 -1.15 0.00 0.00 33.47 29.22 1ckv s TRP 77 CO 0.00 -0.12 0.21 -1.58 0.02 0.00 0.00 176.95 175.48 1ckv s TRP 78 N -1.42 3.32 -0.40 -1.98 0.52 0.34 -3.48 118.94 115.84 1ckv s TRP 78 Ca 0.49 -1.49 -0.16 0.00 0.02 0.00 0.00 56.10 54.96 1ckv s TRP 78 Cb -0.24 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.37 1ckv s TRP 78 CO 0.31 -0.80 0.37 0.96 0.02 0.00 0.00 176.95 177.80 1ckv s ILE 79 N 1.42 5.17 -0.07 2.03 -0.00 -1.11 0.18 121.20 128.82 1ckv s ILE 79 Ca 0.02 -0.42 0.04 0.00 -0.00 0.00 0.00 60.65 60.29 1ckv s ILE 79 Cb -0.22 -3.96 -0.02 0.00 -0.00 0.00 0.00 42.46 38.27 1ckv s ILE 79 CO 0.02 -0.32 -0.18 -0.54 -0.00 0.00 0.00 174.94 173.92 1ckv s LYS 80 N 1.93 2.75 0.07 0.37 1.02 0.90 -2.56 119.74 124.21 1ckv s LYS 80 Ca 0.09 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.24 1ckv s LYS 80 Cb -0.18 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1ckv s LYS 80 CO 0.12 0.42 0.11 0.00 -0.92 0.00 0.00 175.35 175.08 1ckv s ALA 81 N -0.22 0.01 0.09 5.17 0.00 -0.23 -0.67 121.76 125.91 1ckv s ALA 81 Ca -0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1ckv s ALA 81 Cb -0.13 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1ckv s ALA 81 CO 0.03 -0.44 0.32 0.54 0.00 0.00 0.00 175.76 176.21 1ckv s ASN 82 N -2.77 6.48 0.00 0.00 6.03 -1.26 -0.07 114.94 123.34 1ckv s ASN 82 Ca 0.04 0.53 0.00 0.00 -1.03 0.00 0.00 52.86 52.40 1ckv s ASN 82 Cb 0.05 -2.07 0.00 0.00 -3.03 0.00 0.00 41.25 36.20 1ckv s ASN 82 CO -0.10 0.13 0.00 0.61 -2.03 0.00 0.00 177.10 175.72 1ckv n GLY 83 N 0.44 0.71 3.63 0.45 0.00 -1.21 -4.69 105.19 104.52 1ckv n GLY 83 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1ckv n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckv s LYS 84 N 0.00 0.03 0.04 1.61 0.00 -1.26 -3.96 119.74 116.20 1ckv s LYS 84 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 55.97 55.94 1ckv s LYS 84 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 37.83 37.82 1ckv s LYS 84 CO 0.00 -0.01 0.01 0.96 0.00 0.00 0.00 175.35 176.30 1ckv s ILE 85 N -2.04 0.16 -0.04 3.79 -0.00 -0.64 -5.01 121.20 117.43 1ckv s ILE 85 Ca 0.12 -1.35 -0.01 0.00 -0.00 0.00 0.00 60.65 59.41 1ckv s ILE 85 Cb 0.00 -0.99 0.03 0.00 -0.00 0.00 0.00 42.46 41.51 1ckv s ILE 85 CO -0.03 -0.75 0.06 -1.83 -0.00 0.00 0.00 174.94 172.39 1ckv s GLU 86 N -2.87 -0.05 0.06 0.37 -1.05 -1.26 0.61 118.70 114.51 1ckv s GLU 86 Ca -0.03 0.32 -0.11 0.00 -0.15 0.00 0.00 54.97 55.00 1ckv s GLU 86 Cb 0.00 -0.39 -0.06 0.00 -0.44 0.00 0.00 34.13 33.24 1ckv s GLU 86 CO -0.06 -0.26 0.41 0.08 0.95 0.00 0.00 175.26 176.38 1ckv s VAL 87 N 1.74 5.06 0.31 1.83 1.01 0.35 -4.89 120.40 125.82 1ckv s VAL 87 Ca -0.01 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 1ckv s VAL 87 Cb -0.12 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1ckv s VAL 87 CO -0.03 0.36 0.66 -0.62 0.00 0.00 0.00 175.10 175.47 1ckv s ASP 88 N -1.59 6.63 -0.42 3.32 -1.08 -1.26 0.13 116.67 122.40 1ckv s ASP 88 Ca 0.31 1.06 -0.04 0.00 -0.52 0.00 0.00 52.55 53.36 1ckv s ASP 88 Cb -0.15 -2.29 0.11 0.00 -1.46 0.00 0.00 42.92 39.14 1ckv s ASP 88 CO 0.17 -0.21 0.23 0.00 0.52 0.00 0.00 175.17 175.87 1ckv n ASP 90 N 4.66 0.00 0.02 0.00 -0.08 -1.26 -4.58 116.55 115.32 1ckv n ASP 90 Ca -0.04 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.23 1ckv n ASP 90 Cb 0.41 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.87 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ckv h GLU 91 N 0.00 -0.07 0.52 -0.67 5.08 -2.00 -2.69 114.58 114.76 1ckv h GLU 91 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ckv h GLU 91 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ckv h GLU 91 CO 0.00 -0.05 -0.28 0.97 -1.00 0.00 0.00 179.01 178.65 1ckv h ILE 92 N -0.22 0.42 -1.09 3.13 2.10 -1.90 -2.34 117.51 117.61 1ckv h ILE 92 Ca -0.01 0.00 0.30 0.00 1.08 0.00 0.00 64.86 66.23 1ckv h ILE 92 Cb 0.06 0.42 -0.07 0.00 -1.09 0.00 0.00 36.82 36.14 1ckv h ILE 92 CO 0.01 0.00 0.74 0.77 -1.08 0.00 0.00 178.15 178.60 1ckv h SER 93 N -0.75 0.20 -0.20 2.19 4.64 -1.89 1.38 113.55 119.13 1ckv h SER 93 Ca -0.07 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1ckv h SER 93 Cb 0.59 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1ckv h SER 93 CO 0.09 0.04 0.09 -0.33 -0.87 0.00 0.00 176.83 175.85 1ckv h GLU 94 N 0.18 0.29 0.00 4.77 4.39 -1.06 0.23 114.58 123.38 1ckv h GLU 94 Ca 0.56 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1ckv h GLU 94 Cb 1.86 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.46 1ckv h GLU 94 CO -0.14 0.32 -0.86 -0.11 -1.16 0.00 0.00 179.01 177.06 1ckv n LEU 95 N -4.86 0.75 -1.20 1.33 -0.00 0.20 -2.45 117.00 110.78 1ckv n LEU 95 Ca -0.04 0.24 0.11 0.00 -0.00 0.00 0.00 56.01 56.32 1ckv n LEU 95 Cb 0.10 -0.11 0.28 0.00 -0.00 0.00 0.00 43.42 43.69 1ckv n LEU 95 CO 0.35 -0.10 0.74 0.18 -0.00 0.00 0.00 177.39 178.56 1ckv n LEU 96 N -2.35 3.50 0.00 -1.96 7.99 0.45 -4.85 117.00 119.78 1ckv n LEU 96 Ca 0.02 -1.68 0.00 0.00 -0.01 0.00 0.00 56.01 54.34 1ckv n LEU 96 Cb 0.49 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1ckv n LEU 96 CO 0.39 0.84 0.00 0.61 -1.51 0.00 0.00 177.39 177.71 1ckv n GLY 97 N 1.54 0.22 1.84 -0.72 0.00 0.24 -4.91 105.19 103.41 1ckv n GLY 97 Ca 0.22 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.40 1.61 0.00 0.56 -0.99 116.66 116.45 1ckv n ARG 98 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1ckv n ARG 98 Cb 0.00 -0.56 -0.06 0.00 -0.00 0.00 0.00 32.46 31.84 1ckv n ARG 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ckv n GLN 99 N 0.78 -1.23 0.00 2.89 6.02 -1.26 -4.96 117.38 119.62 1ckv n GLN 99 Ca 0.06 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 1ckv n GLN 99 Cb 0.24 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.34 1ckv n GLN 99 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ckv n PHE 100 N -2.46 -2.39 -2.45 1.08 3.01 -0.16 -5.09 117.46 109.00 1ckv n PHE 100 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1ckv n PHE 100 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1ckv n PHE 100 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1ckv n ASN 101 N -2.14 0.08 -0.04 4.37 2.85 -1.26 -5.07 115.26 114.04 1ckv n ASN 101 Ca 0.00 -0.41 -0.04 0.00 -0.11 0.00 0.00 54.58 54.02 1ckv n ASN 101 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1ckv n ASN 101 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1ckv n VAL 102 N -0.39 0.49 1.99 3.44 3.14 -1.26 -4.53 118.33 121.21 1ckv n VAL 102 Ca 0.00 -0.26 0.07 0.00 -2.96 0.00 0.00 64.34 61.19 1ckv n VAL 102 Cb 0.00 -0.82 0.42 0.00 -1.06 0.00 0.00 33.84 32.38 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 -2.44 0.00 -0.31 1.45 4.01 -1.26 -3.83 117.16 114.79 1ckv n TYR 103 Ca -0.13 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.58 1ckv n TYR 103 Cb 0.71 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.83 1ckv n TYR 103 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1ckv h ASP 104 N 0.02 0.93 0.04 7.72 2.03 -1.98 1.09 116.42 126.28 1ckv h ASP 104 Ca 0.00 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 1ckv h ASP 104 Cb 0.01 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.28 1ckv h ASP 104 CO 0.00 0.66 -0.03 0.15 -1.03 0.00 0.00 179.24 178.99 1ckv h PHE 105 N 1.10 0.00 -0.61 4.15 3.04 -1.92 -2.88 116.94 119.82 1ckv h PHE 105 Ca 0.32 0.00 -0.38 0.00 3.98 0.00 0.00 57.97 61.89 1ckv h PHE 105 Cb -0.07 0.00 -0.41 0.00 2.56 0.00 0.00 35.95 38.03 1ckv h PHE 105 CO -0.02 0.03 -0.99 -0.11 -2.02 0.00 0.00 178.31 175.20 1ckv n LEU 106 N -4.23 2.99 0.03 0.59 7.94 -0.48 -4.76 117.00 119.08 1ckv n LEU 106 Ca -0.03 -3.79 -0.17 0.00 -1.11 0.00 0.00 56.01 50.91 1ckv n LEU 106 Cb 0.11 0.13 -0.14 0.00 0.53 0.00 0.00 43.42 44.05 1ckv n LEU 106 CO 0.32 1.51 -0.52 1.62 -1.11 0.00 0.00 177.39 179.21 1ckv h VAL 107 N 4.07 0.92 0.00 1.96 3.04 0.14 -3.46 116.25 122.93 1ckv h VAL 107 Ca 0.08 -2.62 0.00 0.00 -1.01 0.00 0.00 66.70 63.14 1ckv h VAL 107 Cb 1.37 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 1ckv h VAL 107 CO 0.44 0.79 0.00 0.47 -1.01 0.00 0.00 177.57 178.26 1ckv n ASP 108 N -3.40 0.00 -4.87 3.17 9.92 -1.26 -5.06 116.55 115.05 1ckv n ASP 108 Ca -0.22 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.75 1ckv n ASP 108 Cb 1.05 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.50 1ckv n ASP 108 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ckv s VAL 109 N 0.00 1.37 0.29 2.53 1.01 -1.26 -5.01 120.40 119.32 1ckv s VAL 109 Ca 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1ckv s VAL 109 Cb 0.00 -2.03 0.30 0.00 0.00 0.00 0.00 36.38 34.64 1ckv s VAL 109 CO 0.00 0.00 1.67 0.77 0.00 0.00 0.00 175.10 177.54 1ckv h SER 110 N 0.89 0.13 0.00 3.32 4.64 -1.96 -3.46 113.55 117.11 1ckv h SER 110 Ca -0.39 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1ckv h SER 110 Cb 1.31 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1ckv h SER 110 CO 0.62 -0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 174.94 1ckv n SER 111 N -5.16 0.00 -2.82 4.97 3.41 -1.08 -4.99 113.62 107.96 1ckv n SER 111 Ca 0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.78 1ckv n SER 111 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1ckv n SER 111 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ckv s THR 112 N -2.00 -0.94 -0.37 6.66 -4.23 -1.26 -1.22 115.64 112.27 1ckv s THR 112 Ca 0.00 -1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 59.23 1ckv s THR 112 Cb 0.00 -0.06 -0.07 0.00 1.34 0.00 0.00 72.50 73.72 1ckv s THR 112 CO 0.00 -0.06 2.33 -0.38 -0.54 0.00 0.00 174.62 175.97 1ckv n ILE 113 N 3.03 0.12 0.00 2.99 2.08 0.44 -4.72 119.36 123.30 1ckv n ILE 113 Ca 0.18 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.89 1ckv n ILE 113 Cb 0.56 -2.58 0.00 0.00 -0.75 0.00 0.00 39.64 36.86 1ckv n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ckv n GLY 114 N 5.95 4.63 3.66 7.39 0.00 -1.26 -2.32 105.19 123.25 1ckv n GLY 114 Ca 0.35 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.86 4.24 -0.24 1.61 3.00 0.56 -4.71 118.95 119.55 1ckv s ARG 115 Ca 0.00 1.57 -0.11 0.00 -1.00 0.00 0.00 55.73 56.19 1ckv s ARG 115 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 34.95 31.18 1ckv s ARG 115 CO 0.00 -0.68 0.17 0.00 0.00 0.00 0.00 175.30 174.78 1ckv s ALA 116 N 3.40 3.61 -0.09 6.12 0.00 -1.26 -0.01 121.76 133.53 1ckv s ALA 116 Ca 0.51 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 1ckv s ALA 116 Cb -0.20 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1ckv s ALA 116 CO 0.12 -0.18 -0.06 1.52 0.00 0.00 0.00 175.76 177.16 1ckv s TYR 117 N 1.03 1.20 0.23 0.00 -0.85 -0.19 -4.98 117.35 113.78 1ckv s TYR 117 Ca 0.08 -0.51 0.06 0.00 -0.52 0.00 0.00 57.07 56.17 1ckv s TYR 117 Cb -0.13 -1.04 -0.03 0.00 0.38 0.00 0.00 41.96 41.13 1ckv s TYR 117 CO 0.04 -0.40 0.25 -0.08 -1.52 0.00 0.00 175.55 173.84 1ckv s THR 118 N 1.55 4.80 -0.29 -3.49 -1.32 -1.26 -1.16 115.64 114.47 1ckv s THR 118 Ca 0.01 -1.16 -0.20 0.00 -1.21 0.00 0.00 61.69 59.13 1ckv s THR 118 Cb -0.13 -3.57 0.13 0.00 -1.51 0.00 0.00 72.50 67.41 1ckv s THR 118 CO -0.05 -0.29 0.97 -0.22 -2.21 0.00 0.00 174.62 172.82 1ckv s LEU 119 N -3.74 -0.53 0.00 9.08 0.20 -1.19 -5.00 118.68 117.50 1ckv s LEU 119 Ca 0.33 0.91 0.00 0.00 0.69 0.00 0.00 54.13 56.06 1ckv s LEU 119 Cb -0.09 1.87 0.00 0.00 -0.43 0.00 0.00 46.19 47.54 1ckv s LEU 119 CO 0.26 -0.15 0.00 0.61 -0.29 0.00 0.00 176.35 176.78 1ckv n GLY 120 N 3.12 1.42 2.56 7.98 0.00 -1.26 -3.17 105.19 115.84 1ckv n GLY 120 Ca -0.16 0.46 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 2.72 0.00 1.61 2.47 -1.26 -5.03 114.94 111.45 1ckv s ASN 121 Ca 0.00 -2.97 0.00 0.00 0.42 0.00 0.00 52.86 50.31 1ckv s ASN 121 Cb 0.00 -0.76 0.00 0.00 -1.45 0.00 0.00 41.25 39.04 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 3.04 0.00 -4.44 0.43 5.02 -1.19 -4.27 118.16 116.74 1ckv n LYS 122 Ca 0.21 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.15 1ckv n LYS 122 Cb 0.41 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.32 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 3.10 -0.13 2.13 -0.71 0.35 -3.16 117.98 119.56 1ckv s PHE 123 Ca 0.00 0.13 -0.00 0.00 -1.04 0.00 0.00 56.93 56.02 1ckv s PHE 123 Cb 0.00 -1.78 -0.01 0.00 -1.21 0.00 0.00 43.02 40.02 1ckv s PHE 123 CO 0.00 0.41 -0.13 0.99 -1.34 0.00 0.00 175.22 175.15 1ckv s THR 124 N -0.81 3.02 -0.24 -4.49 2.01 -0.31 0.13 115.64 114.95 1ckv s THR 124 Ca 0.12 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1ckv s THR 124 Cb -0.11 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1ckv s THR 124 CO 0.02 0.53 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 1ckv s ILE 125 N 0.34 3.32 0.21 1.82 1.09 0.20 -1.02 121.20 127.16 1ckv s ILE 125 Ca -0.11 -0.68 0.02 0.00 -1.10 0.00 0.00 60.65 58.78 1ckv s ILE 125 Cb -0.16 -2.59 -0.04 0.00 -1.06 0.00 0.00 42.46 38.61 1ckv s ILE 125 CO 0.06 0.30 0.36 0.28 -0.10 0.00 0.00 174.94 175.84 1ckv s THR 126 N 1.44 5.25 -0.03 2.92 -1.32 0.98 -1.62 115.64 123.25 1ckv s THR 126 Ca 0.04 -0.61 0.13 0.00 -1.21 0.00 0.00 61.69 60.04 1ckv s THR 126 Cb -0.15 -3.78 0.24 0.00 -1.51 0.00 0.00 72.50 67.30 1ckv s THR 126 CO -0.03 -0.22 1.11 -1.54 -2.21 0.00 0.00 174.62 171.73 1ckv n SER 127 N -0.89 0.00 -0.08 8.08 3.41 -1.25 0.21 113.62 123.10 1ckv n SER 127 Ca -0.06 -2.01 -0.22 0.00 -0.26 0.00 0.00 58.87 56.31 1ckv n SER 127 Cb 0.55 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 1ckv n SER 127 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ckv n GLU 128 N 0.12 0.66 -2.32 4.33 1.02 -1.26 -4.07 120.64 119.12 1ckv n GLU 128 Ca -0.10 0.30 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1ckv n GLU 128 Cb 0.92 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 1ckv n GLU 128 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ckv n LEU 129 N -3.78 -6.06 -1.25 -4.62 4.32 -1.26 -4.87 117.00 99.47 1ckv n LEU 129 Ca -0.40 2.43 0.07 0.00 -0.02 0.00 0.00 56.01 58.09 1ckv n LEU 129 Cb 0.92 -3.06 0.26 0.00 -1.62 0.00 0.00 43.42 39.93 1ckv n LEU 129 CO 0.25 -3.02 0.70 0.23 -1.22 0.00 0.00 177.39 174.33 1ckv n MET 130 N 1.63 3.05 -2.66 3.23 2.81 -1.26 -4.99 117.12 118.93 1ckv n MET 130 Ca -0.14 -2.09 -0.04 0.00 -1.81 0.00 0.00 57.70 53.63 1ckv n MET 130 Cb 0.21 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 30.94 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 0.88 -4.85 0.08 3.03 0.00 -1.26 -4.80 105.19 98.27 1ckv n GLY 131 Ca 0.19 1.30 -0.12 0.00 0.00 0.00 0.00 46.02 47.40 1ckv n GLY 131 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ckv h LEU 132 N 3.75 0.13 -3.88 0.99 4.07 -2.03 -2.97 115.31 115.36 1ckv h LEU 132 Ca -0.35 -0.19 -0.46 0.00 0.08 0.00 0.00 57.88 56.96 1ckv h LEU 132 Cb 0.81 -0.03 -0.27 0.00 1.08 0.00 0.00 40.66 42.24 1ckv h LEU 132 CO 0.04 0.28 0.53 0.47 -1.08 0.00 0.00 178.44 178.68 1ckv n ASP 133 N -4.92 3.55 0.09 -0.43 9.92 -1.26 -4.45 116.55 119.05 1ckv n ASP 133 Ca -0.06 -3.65 -0.12 0.00 -0.53 0.00 0.00 54.79 50.44 1ckv n ASP 133 Cb 0.12 -0.80 -0.08 0.00 -0.64 0.00 0.00 41.12 39.72 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 1.01 0.22 -0.55 -1.24 2.47 -1.83 -3.10 114.38 111.37 1ckv h ARG 134 Ca 0.57 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1ckv h ARG 134 Cb 2.64 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 31.06 1ckv h ARG 134 CO 0.99 1.08 0.00 1.63 0.56 0.00 0.00 179.97 184.22 1ckv n LYS 135 N -3.58 2.94 0.00 0.04 5.02 -1.26 -4.28 118.16 117.05 1ckv n LYS 135 Ca -0.05 -2.47 0.02 0.00 -2.02 0.00 0.00 58.31 53.79 1ckv n LYS 135 Cb 0.91 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 1.03 0.70 -0.30 -0.35 0.00 -1.23 -4.50 117.00 112.34 1ckv n LEU 136 Ca 0.20 -0.72 0.12 0.00 0.00 0.00 0.00 56.01 55.60 1ckv n LEU 136 Cb 0.60 0.00 0.53 0.00 0.00 0.00 0.00 43.42 44.55 1ckv n LEU 136 CO 0.14 0.15 0.86 -0.62 0.00 0.00 0.00 177.39 177.93 1ckv n GLU 137 N -0.50 1.41 0.00 1.96 -0.58 -1.17 -4.78 120.64 116.98 1ckv n GLU 137 Ca 0.01 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.15 1ckv n GLU 137 Cb 0.08 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1ckv n GLU 137 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ckv n ASP 138 N -0.21 0.00 -3.34 1.62 8.00 -1.26 -5.14 116.55 116.22 1ckv n ASP 138 Ca 0.17 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.48 1ckv n ASP 138 Cb 0.23 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 1ckv n ASP 138 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1ckv s TYR 139 N 0.00 1.67 -0.28 1.24 1.13 -1.26 -4.90 117.35 114.94 1ckv s TYR 139 Ca 0.00 -1.62 -0.26 0.00 -1.41 0.00 0.00 57.07 53.78 1ckv s TYR 139 Cb 0.00 -0.63 0.17 0.00 -1.10 0.00 0.00 41.96 40.40 1ckv s TYR 139 CO 0.00 -0.91 1.30 -1.58 -2.51 0.00 0.00 175.55 171.85 1ckv s HIS 140 N -3.38 -0.18 -2.30 -3.49 2.46 -1.26 -5.20 115.29 101.94 1ckv s HIS 140 Ca 0.39 0.42 0.30 0.00 0.47 0.00 0.00 55.06 56.64 1ckv s HIS 140 Cb 0.02 0.45 1.40 0.00 -0.13 0.00 0.00 32.58 34.32 1ckv s HIS 140 CO 0.27 -0.10 1.94 0.00 -2.47 0.00 0.00 174.74 174.38