#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckv h SER 2 N 0.00 0.00 -4.11 7.83 4.64 -2.15 -3.50 113.55 116.26 1ckv h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ckv h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ckv h SER 2 CO 0.00 0.58 -0.66 0.52 -0.87 0.00 0.00 176.83 176.40 1ckv n VAL 3 N -3.29 -4.20 -4.51 0.95 0.31 -1.26 -5.04 118.33 101.29 1ckv n VAL 3 Ca 0.01 1.78 -0.24 0.00 -0.01 0.00 0.00 64.34 65.89 1ckv n VAL 3 Cb 0.74 -2.53 -0.14 0.00 -0.91 0.00 0.00 33.84 31.01 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 -2.45 2.24 -0.31 4.52 -0.87 -1.26 -5.11 114.94 111.69 1ckv s ASN 4 Ca 0.00 -0.52 0.05 0.00 -1.57 0.00 0.00 52.86 50.81 1ckv s ASN 4 Cb 0.00 -0.17 0.18 0.00 -0.02 0.00 0.00 41.25 41.24 1ckv s ASN 4 CO 0.00 0.11 0.51 -0.55 -2.57 0.00 0.00 177.10 174.60 1ckv s SER 5 N -1.25 -0.67 -0.68 -1.22 0.15 -1.26 -5.10 113.70 103.67 1ckv s SER 5 Ca 0.06 -0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.16 1ckv s SER 5 Cb -0.09 1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 65.77 1ckv s SER 5 CO 0.02 -0.30 1.91 0.21 1.20 0.00 0.00 173.24 176.28 1ckv s ASN 6 N 2.49 5.19 0.94 5.45 3.84 -1.26 -4.97 114.94 126.63 1ckv s ASN 6 Ca 0.11 0.13 -0.15 0.00 0.21 0.00 0.00 52.86 53.16 1ckv s ASN 6 Cb -0.10 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.23 1ckv s ASN 6 CO -0.24 -2.50 1.23 0.00 -2.79 0.00 0.00 177.10 172.80 1ckv s ALA 7 N 9.52 2.08 -0.13 1.71 0.00 -1.26 -5.02 121.76 128.66 1ckv s ALA 7 Ca 0.69 -0.93 0.16 0.00 0.00 0.00 0.00 51.96 51.89 1ckv s ALA 7 Cb -0.11 -2.87 0.41 0.00 0.00 0.00 0.00 23.12 20.54 1ckv s ALA 7 CO 0.16 -2.36 1.20 0.98 0.00 0.00 0.00 175.76 175.73 1ckv n TYR 8 N -3.77 0.00 0.25 0.00 4.19 -1.26 -4.79 117.16 111.78 1ckv n TYR 8 Ca 0.12 -1.11 0.18 0.00 3.31 0.00 0.00 57.90 60.40 1ckv n TYR 8 Cb 0.60 -0.21 0.87 0.00 0.49 0.00 0.00 39.34 41.09 1ckv n TYR 8 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 1ckv h ASP 9 N 0.94 0.00 0.81 2.98 2.03 -1.91 1.04 116.42 122.31 1ckv h ASP 9 Ca -0.08 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 55.99 1ckv h ASP 9 Cb 1.31 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 1ckv h ASP 9 CO 0.03 0.00 -1.08 0.00 -1.03 0.00 0.00 179.24 177.16 1ckv h ALA 10 N 1.61 0.27 -0.15 4.15 0.00 -1.86 1.18 119.26 124.46 1ckv h ALA 10 Ca 0.07 -0.88 -0.21 0.00 0.00 0.00 0.00 54.91 53.88 1ckv h ALA 10 Cb 0.59 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ckv h ALA 10 CO -0.00 1.10 -0.74 0.78 0.00 0.00 0.00 179.25 180.39 1ckv h GLY 11 N 2.32 0.84 -1.61 0.00 0.00 0.62 -3.26 103.07 101.99 1ckv h GLY 11 Ca -0.06 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.08 1ckv h GLY 11 CO 0.16 1.06 0.00 0.29 0.00 0.00 0.00 176.54 178.05 1ckv n ILE 12 N -3.98 0.99 0.00 2.60 -6.64 0.27 -4.98 119.36 107.62 1ckv n ILE 12 Ca -0.08 -0.99 0.00 0.00 -1.77 0.00 0.00 62.75 59.91 1ckv n ILE 12 Cb 0.73 0.51 0.00 0.00 -1.44 0.00 0.00 39.64 39.44 1ckv n ILE 12 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1ckv n MET 13 N 0.78 0.00 -0.58 6.28 2.81 0.41 -0.46 117.12 126.36 1ckv n MET 13 Ca 0.15 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.01 1ckv n MET 13 Cb 0.47 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.96 1ckv n MET 13 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ckv n GLY 14 N 0.00 0.41 0.00 3.03 0.00 -1.25 -4.62 105.19 102.76 1ckv n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ckv n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 15 N 0.00 2.11 -0.79 0.99 4.77 0.40 -3.56 117.00 120.92 1ckv n LEU 15 Ca -0.09 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1ckv n LEU 15 Cb 0.44 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.76 1ckv n LEU 15 CO -0.05 0.00 0.69 0.29 -1.33 0.00 0.00 177.39 176.99 1ckv n LYS 16 N -0.51 2.01 -0.00 3.23 4.76 -1.26 -3.83 118.16 122.55 1ckv n LYS 16 Ca 0.00 -1.55 0.02 0.00 -2.87 0.00 0.00 58.31 53.91 1ckv n LYS 16 Cb 0.00 -1.37 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1ckv n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ckv n GLY 17 N 1.21 -0.26 2.69 0.72 0.00 -1.26 -4.83 105.19 103.46 1ckv n GLY 17 Ca 0.15 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.37 1.77 0.00 1.61 2.47 -1.23 -4.83 119.74 117.15 1ckv s LYS 18 Ca -0.02 -2.76 0.00 0.00 -1.56 0.00 0.00 55.97 51.63 1ckv s LYS 18 Cb 0.03 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.84 1ckv s LYS 18 CO 0.23 -1.31 0.55 -3.47 0.16 0.00 0.00 175.35 171.51 1ckv n ASP 19 N 2.44 0.38 -0.21 1.43 -0.08 -1.26 -4.57 116.55 114.68 1ckv n ASP 19 Ca 0.23 -1.18 0.12 0.00 -1.51 0.00 0.00 54.79 52.45 1ckv n ASP 19 Cb 0.40 0.00 0.62 0.00 2.34 0.00 0.00 41.12 44.48 1ckv n ASP 19 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1ckv n PHE 20 N -0.09 0.04 -0.03 -0.67 7.35 -1.26 -4.88 117.46 117.92 1ckv n PHE 20 Ca 0.00 -0.02 -0.02 0.00 -0.76 0.00 0.00 57.45 56.65 1ckv n PHE 20 Cb 0.42 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.27 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 -0.42 -0.32 -1.23 3.13 0.00 -1.26 -3.75 120.51 116.66 1ckv n ALA 21 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1ckv n ALA 21 Cb 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1ckv n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 22 N -2.47 -5.47 0.00 0.00 2.03 -1.26 -4.70 116.55 104.67 1ckv n ASP 22 Ca 0.01 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1ckv n ASP 22 Cb 0.04 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 1ckv n ASP 22 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ckv n GLN 23 N -0.75 0.92 -0.09 -0.67 7.27 -1.25 -4.84 117.38 117.98 1ckv n GLN 23 Ca -0.08 -0.80 -0.15 0.00 0.07 0.00 0.00 57.00 56.04 1ckv n GLN 23 Cb 0.51 -0.66 -0.08 0.00 2.41 0.00 0.00 30.24 32.42 1ckv n GLN 23 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 1ckv h PHE 24 N 0.00 0.00 -3.69 3.69 -1.00 -1.84 -3.45 116.94 110.65 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 0.81 0.00 -0.37 0.00 3.61 0.00 0.00 35.95 40.00 1ckv h PHE 24 CO 0.00 0.94 -0.81 -0.06 -1.61 0.00 0.00 178.31 176.77 1ckv s PHE 25 N -2.31 3.03 0.00 -0.55 0.08 -1.26 -5.08 117.98 111.89 1ckv s PHE 25 Ca -0.23 -2.10 0.00 0.00 0.12 0.00 0.00 56.93 54.71 1ckv s PHE 25 Cb 0.04 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1ckv s PHE 25 CO 0.45 -0.85 0.00 0.00 -0.10 0.00 0.00 175.22 174.73 1ckv n ALA 26 N 4.51 0.00 -1.38 5.36 0.00 -1.26 -4.83 120.51 122.91 1ckv n ALA 26 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1ckv n ALA 26 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 1ckv n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 27 N 0.00 -5.34 0.15 0.00 2.03 -1.26 -4.83 116.55 107.30 1ckv n ASP 27 Ca 0.00 0.32 0.10 0.00 0.52 0.00 0.00 54.79 55.73 1ckv n ASP 27 Cb 0.00 -3.98 0.06 0.00 -0.72 0.00 0.00 41.12 36.48 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 0.04 0.00 -0.60 -0.67 5.08 -2.04 -3.27 114.58 113.12 1ckv h GLU 28 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ckv h GLU 28 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ckv h GLU 28 CO 0.39 0.07 0.00 -1.71 -1.00 0.00 0.00 179.01 176.75 1ckv n ASN 29 N -2.91 3.37 -4.37 1.42 2.85 -1.26 -4.89 115.26 109.47 1ckv n ASN 29 Ca 0.01 -2.29 -0.27 0.00 -0.11 0.00 0.00 54.58 51.92 1ckv n ASN 29 Cb 0.58 -0.47 -0.12 0.00 1.24 0.00 0.00 39.78 41.01 1ckv n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1ckv s GLN 30 N -1.72 1.36 -0.06 1.20 -1.52 -1.23 -5.14 119.66 112.55 1ckv s GLN 30 Ca 0.35 -1.36 0.04 0.00 -1.95 0.00 0.00 55.36 52.45 1ckv s GLN 30 Cb 0.22 -1.75 -0.02 0.00 -0.22 0.00 0.00 33.01 31.24 1ckv s GLN 30 CO 0.17 0.40 -0.19 0.54 -0.25 0.00 0.00 175.29 175.97 1ckv s VAL 31 N -1.28 2.63 -0.11 1.09 0.11 -1.26 -5.05 120.40 116.52 1ckv s VAL 31 Ca 0.14 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1ckv s VAL 31 Cb -0.09 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 1ckv s VAL 31 CO 0.07 0.57 -0.06 0.54 -3.33 0.00 0.00 175.10 172.89 1ckv s VAL 32 N -0.40 3.77 -0.28 2.04 0.11 -1.26 -5.09 120.40 119.29 1ckv s VAL 32 Ca 0.04 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1ckv s VAL 32 Cb -0.12 -2.59 0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1ckv s VAL 32 CO 0.02 0.55 0.05 -1.00 -3.33 0.00 0.00 175.10 171.39 1ckv s HIS 33 N -0.26 3.12 -0.45 1.54 3.76 -1.26 -4.78 115.29 116.96 1ckv s HIS 33 Ca 0.04 -1.08 -0.12 0.00 -0.15 0.00 0.00 55.06 53.75 1ckv s HIS 33 Cb -0.13 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1ckv s HIS 33 CO 0.02 -0.60 0.26 0.39 -0.85 0.00 0.00 174.74 173.97 1ckv n GLU 34 N 4.82 -0.71 -2.92 1.40 1.02 -1.26 -4.86 120.64 118.13 1ckv n GLU 34 Ca -0.15 -0.23 -0.34 0.00 -0.02 0.00 0.00 57.16 56.42 1ckv n GLU 34 Cb 0.48 -0.42 -0.07 0.00 -0.02 0.00 0.00 31.44 31.42 1ckv n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ckv s SER 35 N -4.18 6.97 -1.31 1.62 0.15 -1.26 -4.95 113.70 110.74 1ckv s SER 35 Ca 0.17 1.59 -0.08 0.00 0.70 0.00 0.00 55.95 58.33 1ckv s SER 35 Cb -0.10 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1ckv s SER 35 CO 0.38 -0.24 2.80 0.47 1.20 0.00 0.00 173.24 177.85 1ckv n ASP 36 N -0.27 8.08 -4.88 5.45 9.92 -1.26 -4.93 116.55 128.66 1ckv n ASP 36 Ca 0.05 -2.81 -0.33 0.00 -0.53 0.00 0.00 54.79 51.17 1ckv n ASP 36 Cb 0.53 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 39.50 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ckv s THR 37 N 0.60 5.06 -0.74 -3.53 2.01 -1.26 -4.29 115.64 113.48 1ckv s THR 37 Ca 0.63 0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.73 1ckv s THR 37 Cb 0.21 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 69.15 1ckv s THR 37 CO -0.08 0.09 1.10 -0.69 -0.69 0.00 0.00 174.62 174.36 1ckv s VAL 38 N -1.61 4.20 0.11 3.82 1.01 0.11 -4.86 120.40 123.18 1ckv s VAL 38 Ca 0.40 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1ckv s VAL 38 Cb -0.13 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.43 1ckv s VAL 38 CO 0.21 -1.60 -0.05 -0.69 0.00 0.00 0.00 175.10 172.97 1ckv s VAL 39 N 4.36 3.63 -0.26 2.92 1.01 -0.93 -1.41 120.40 129.72 1ckv s VAL 39 Ca 0.28 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1ckv s VAL 39 Cb -0.12 -2.73 0.12 0.00 0.00 0.00 0.00 36.38 33.65 1ckv s VAL 39 CO 0.07 0.07 0.56 -1.48 0.00 0.00 0.00 175.10 174.33 1ckv s LEU 40 N -2.38 -0.97 -0.16 3.92 2.34 -1.06 0.66 118.68 121.03 1ckv s LEU 40 Ca 0.24 1.35 -0.01 0.00 0.06 0.00 0.00 54.13 55.76 1ckv s LEU 40 Cb -0.11 1.95 -0.01 0.00 -0.56 0.00 0.00 46.19 47.46 1ckv s LEU 40 CO 0.16 -0.23 -0.10 0.68 -1.06 0.00 0.00 176.35 175.80 1ckv s VAL 41 N 2.79 3.14 -0.01 1.48 -7.23 0.19 -2.91 120.40 117.86 1ckv s VAL 41 Ca -0.04 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.58 1ckv s VAL 41 Cb -0.12 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1ckv s VAL 41 CO -0.17 0.49 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.18 1ckv s LEU 42 N 0.73 2.04 0.15 1.32 1.02 -1.24 -2.69 118.68 120.01 1ckv s LEU 42 Ca -0.05 -0.33 -0.34 0.00 0.02 0.00 0.00 54.13 53.44 1ckv s LEU 42 Cb -0.15 -0.88 -0.16 0.00 0.02 0.00 0.00 46.19 45.02 1ckv s LEU 42 CO 0.02 0.20 1.22 0.29 0.02 0.00 0.00 176.35 178.10 1ckv n LYS 43 N 2.59 1.17 -2.48 1.70 5.02 -1.26 -2.98 118.16 121.92 1ckv n LYS 43 Ca -0.15 0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 56.17 1ckv n LYS 43 Cb 0.54 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ckv s LYS 44 N -0.11 3.50 0.36 1.97 2.36 -1.17 -4.36 119.74 122.29 1ckv s LYS 44 Ca 0.77 -1.19 0.04 0.00 -2.55 0.00 0.00 55.97 53.03 1ckv s LYS 44 Cb -0.88 -5.35 -0.06 0.00 -1.05 0.00 0.00 37.83 30.48 1ckv s LYS 44 CO 0.50 -2.44 0.05 -1.12 1.55 0.00 0.00 175.35 173.90 1ckv s SER 45 N 5.27 2.76 0.27 1.43 0.01 -1.26 -4.93 113.70 117.25 1ckv s SER 45 Ca 0.51 -1.41 0.10 0.00 1.31 0.00 0.00 55.95 56.46 1ckv s SER 45 Cb -0.00 -0.07 0.53 0.00 0.21 0.00 0.00 66.02 66.69 1ckv s SER 45 CO -0.04 -0.61 1.16 0.47 0.41 0.00 0.00 173.24 174.62 1ckv n ASP 46 N -0.81 0.25 0.00 2.44 9.92 -1.26 -1.18 116.55 125.91 1ckv n ASP 46 Ca -0.04 0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1ckv n ASP 46 Cb 0.67 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1ckv n ASP 46 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ckv n GLU 47 N -1.90 0.00 -0.18 -1.24 2.13 -1.26 -3.15 120.64 115.05 1ckv n GLU 47 Ca -0.01 0.42 -0.06 0.00 0.66 0.00 0.00 57.16 58.17 1ckv n GLU 47 Cb 0.35 -1.17 0.03 0.00 0.27 0.00 0.00 31.44 30.93 1ckv n GLU 47 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1ckv h ILE 48 N 0.00 1.08 -0.94 6.31 5.03 -1.54 -2.93 117.51 124.52 1ckv h ILE 48 Ca 0.00 -0.23 0.15 0.00 -0.12 0.00 0.00 64.86 64.67 1ckv h ILE 48 Cb 0.00 0.37 -0.16 0.00 -3.03 0.00 0.00 36.82 34.00 1ckv h ILE 48 CO 0.00 0.12 -0.34 0.59 -0.68 0.00 0.00 178.15 177.84 1ckv n ASN 49 N -4.76 -0.56 0.00 1.72 3.02 -0.32 0.34 115.26 114.69 1ckv n ASN 49 Ca 0.03 1.63 0.00 0.00 -0.03 0.00 0.00 54.58 56.22 1ckv n ASN 49 Cb 0.06 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 -5.41 0.00 -0.33 3.41 -1.04 -1.12 -2.89 114.28 106.90 1ckv n THR 50 Ca 0.11 0.64 0.19 0.00 -2.04 0.00 0.00 64.05 62.94 1ckv n THR 50 Cb 0.39 -1.35 0.37 0.00 -1.82 0.00 0.00 70.33 67.92 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 0.25 -0.35 -1.42 -5.15 -1.45 0.59 116.94 109.41 1ckv h PHE 51 Ca 0.00 0.06 0.05 0.00 -0.20 0.00 0.00 57.97 57.88 1ckv h PHE 51 Cb 0.00 0.05 -0.04 0.00 0.22 0.00 0.00 35.95 36.18 1ckv h PHE 51 CO 0.05 -0.40 0.08 0.97 -2.00 0.00 0.00 178.31 177.01 1ckv h ILE 52 N 0.05 0.84 -0.37 0.88 6.09 -0.25 0.37 117.51 125.11 1ckv h ILE 52 Ca 0.66 -0.07 0.08 0.00 -1.37 0.00 0.00 64.86 64.15 1ckv h ILE 52 Cb 1.47 0.61 -0.07 0.00 0.47 0.00 0.00 36.82 39.30 1ckv h ILE 52 CO -0.83 0.04 -0.11 1.05 -3.07 0.00 0.00 178.15 175.22 1ckv h GLU 53 N 0.21 -0.02 0.00 2.19 4.11 0.31 -2.43 114.58 118.94 1ckv h GLU 53 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1ckv h GLU 53 Cb 0.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ckv h GLU 53 CO -0.21 -0.02 0.00 0.39 0.07 0.00 0.00 179.01 179.25 1ckv n GLU 54 N -5.31 0.00 0.00 1.06 1.02 -0.65 -2.65 120.64 114.11 1ckv n GLU 54 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1ckv n GLU 54 Cb 0.22 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.11 0.00 0.00 -3.67 0.00 0.12 0.16 119.36 115.87 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 -3.36 0.00 0.28 9.51 4.32 -0.91 -3.01 117.00 123.82 1ckv n LEU 56 Ca 0.00 0.86 0.14 0.00 -0.02 0.00 0.00 56.01 56.99 1ckv n LEU 56 Cb 0.00 -0.50 0.79 0.00 -1.62 0.00 0.00 43.42 42.10 1ckv n LEU 56 CO 0.00 -0.50 1.01 -0.07 -1.22 0.00 0.00 177.39 176.61 1ckv h LEU 57 N 0.00 0.00 0.00 2.23 -0.00 -1.10 0.35 115.31 116.79 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 0.08 0.00 0.35 -0.00 0.00 0.00 178.44 178.87 1ckv n THR 58 N -3.54 0.00 0.04 0.22 -2.24 0.43 -2.54 114.28 106.64 1ckv n THR 58 Ca -0.02 1.43 -0.18 0.00 -2.27 0.00 0.00 64.05 63.02 1ckv n THR 58 Cb 0.21 -2.43 -0.14 0.00 -2.10 0.00 0.00 70.33 65.87 1ckv n THR 58 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ckv h ASP 59 N 0.00 0.38 1.13 3.42 1.82 -1.56 -2.90 116.42 118.71 1ckv h ASP 59 Ca 0.00 -0.64 0.00 0.00 -0.39 0.00 0.00 57.03 56.00 1ckv h ASP 59 Cb 0.00 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.89 1ckv h ASP 59 CO 0.00 1.55 0.00 -1.22 -1.61 0.00 0.00 179.24 177.96 1ckv n TYR 60 N -3.42 0.67 -0.11 0.28 4.01 0.12 -1.41 117.16 117.30 1ckv n TYR 60 Ca -0.22 0.22 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 1ckv n TYR 60 Cb 1.05 -0.85 -0.09 0.00 -0.31 0.00 0.00 39.34 39.13 1ckv n TYR 60 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ckv n LYS 61 N -2.07 0.52 -0.00 -0.72 3.00 -1.05 -3.20 118.16 114.63 1ckv n LYS 61 Ca 0.05 0.13 -0.13 0.00 -0.00 0.00 0.00 58.31 58.36 1ckv n LYS 61 Cb 0.34 -1.41 -0.09 0.00 0.00 0.00 0.00 35.03 33.87 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 -0.08 -0.01 -0.13 1.64 3.64 -1.51 -3.45 116.57 116.67 1ckv h LYS 62 Ca -0.48 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1ckv h LYS 62 Cb 1.70 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 33.35 1ckv h LYS 62 CO -0.10 0.41 -0.08 0.54 -2.27 0.00 0.00 179.45 177.95 1ckv s ASN 63 N -5.61 -0.20 0.22 4.20 2.20 -0.66 -5.04 114.94 110.05 1ckv s ASN 63 Ca -0.15 -0.14 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 1ckv s ASN 63 Cb 0.02 0.25 0.00 0.00 -2.00 0.00 0.00 41.25 39.53 1ckv s ASN 63 CO 0.67 -0.02 0.00 0.52 -2.94 0.00 0.00 177.10 175.33 1ckv n VAL 64 N 3.30 0.00 0.00 3.54 0.31 -0.50 -4.80 118.33 120.19 1ckv n VAL 64 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1ckv n VAL 64 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1ckv n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ckv n ASN 65 N -2.95 0.00 0.14 4.52 3.02 -1.19 -4.99 115.26 113.81 1ckv n ASN 65 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1ckv n ASN 65 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 1ckv n ASN 65 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ckv h PRO 66 N 0.00 0.00 -0.49 3.52 0.13 -1.97 -3.37 132.00 129.82 1ckv h PRO 66 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 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 0.06 -0.01 0.00 -0.23 0.00 0.00 178.00 177.82 1ckv h THR 67 N 0.00 0.61 -0.09 1.56 1.03 -1.90 -3.35 112.91 110.77 1ckv h THR 67 Ca -0.02 -0.03 -0.02 0.00 -0.01 0.00 0.00 66.41 66.32 1ckv h THR 67 Cb 1.08 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.65 1ckv h THR 67 CO 0.01 0.02 0.39 0.52 -0.01 0.00 0.00 175.52 176.45 1ckv n VAL 68 N -5.24 0.00 -4.83 0.00 0.31 -1.24 -4.30 118.33 103.03 1ckv n VAL 68 Ca 0.05 -0.23 -0.31 0.00 -0.01 0.00 0.00 64.34 63.83 1ckv n VAL 68 Cb 0.26 -1.36 -0.13 0.00 -0.91 0.00 0.00 33.84 31.70 1ckv n VAL 68 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ckv s ASN 69 N 6.16 3.77 0.19 4.52 2.20 -0.12 -4.91 114.94 126.74 1ckv s ASN 69 Ca 0.66 -0.36 -0.01 0.00 -0.94 0.00 0.00 52.86 52.21 1ckv s ASN 69 Cb -0.10 -0.65 -0.04 0.00 -2.00 0.00 0.00 41.25 38.45 1ckv s ASN 69 CO 0.15 0.29 0.38 0.54 -2.94 0.00 0.00 177.10 175.53 1ckv s VAL 70 N -0.82 5.21 -0.06 3.54 0.11 -1.26 -0.11 120.40 127.02 1ckv s VAL 70 Ca 0.13 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1ckv s VAL 70 Cb -0.10 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1ckv s VAL 70 CO 0.03 -0.14 0.11 -0.70 -3.33 0.00 0.00 175.10 171.07 1ckv s GLU 71 N -3.22 0.01 -0.36 1.54 2.12 0.48 -4.89 118.70 114.37 1ckv s GLU 71 Ca 0.39 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.83 1ckv s GLU 71 Cb -0.11 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.00 1ckv s GLU 71 CO 0.28 -0.25 1.14 0.34 -0.54 0.00 0.00 175.26 176.23 1ckv s ASP 72 N 1.75 6.79 0.00 -1.70 2.15 -1.26 0.18 116.67 124.58 1ckv s ASP 72 Ca -0.02 0.90 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1ckv s ASP 72 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1ckv s ASP 72 CO -0.05 -1.03 0.00 -1.14 -0.17 0.00 0.00 175.17 172.78 1ckv n ARG 73 N 7.25 3.40 0.01 4.34 3.00 0.30 -4.96 116.66 130.00 1ckv n ARG 73 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.87 1ckv n ARG 73 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.88 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ckv h ALA 74 N -1.48 0.07 0.00 5.13 0.00 -2.01 -3.39 119.26 117.58 1ckv h ALA 74 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ckv h ALA 74 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ckv h ALA 74 CO 0.00 -0.47 -0.14 0.41 0.00 0.00 0.00 179.25 179.05 1ckv n GLY 75 N -1.13 0.03 3.15 0.00 0.00 -1.26 -5.12 105.19 100.86 1ckv n GLY 75 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.45 0.21 1.61 2.02 -1.26 -3.03 117.35 117.35 1ckv s TYR 76 Ca 0.00 -0.93 -0.21 0.00 -0.37 0.00 0.00 57.07 55.56 1ckv s TYR 76 Cb 0.00 -0.28 -0.08 0.00 -0.40 0.00 0.00 41.96 41.20 1ckv s TYR 76 CO 0.00 -0.47 0.73 -1.58 -1.57 0.00 0.00 175.55 172.66 1ckv s TRP 77 N -3.93 3.71 -0.32 2.71 0.52 -1.16 -0.54 118.94 119.93 1ckv s TRP 77 Ca 0.10 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.66 1ckv s TRP 77 Cb 0.07 -2.65 0.08 0.00 -1.15 0.00 0.00 33.47 29.81 1ckv s TRP 77 CO -0.08 0.38 0.03 -1.58 0.02 0.00 0.00 176.95 175.72 1ckv s TRP 78 N -1.43 3.45 -0.38 -1.98 0.52 0.48 -3.70 118.94 115.89 1ckv s TRP 78 Ca 0.41 -2.34 -0.15 0.00 0.02 0.00 0.00 56.10 54.04 1ckv s TRP 78 Cb -0.18 -2.48 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 1ckv s TRP 78 CO 0.22 -0.89 0.34 0.96 0.02 0.00 0.00 176.95 177.60 1ckv s ILE 79 N 1.12 5.20 -0.10 2.03 -0.00 -1.15 0.18 121.20 128.49 1ckv s ILE 79 Ca 0.00 -0.34 0.01 0.00 -0.00 0.00 0.00 60.65 60.32 1ckv s ILE 79 Cb -0.20 -3.89 -0.02 0.00 -0.00 0.00 0.00 42.46 38.34 1ckv s ILE 79 CO -0.04 -0.23 -0.10 -0.54 -0.00 0.00 0.00 174.94 174.02 1ckv s LYS 80 N 1.88 3.02 0.07 0.37 1.02 0.84 -2.57 119.74 124.37 1ckv s LYS 80 Ca 0.09 -0.63 -0.06 0.00 0.02 0.00 0.00 55.97 55.39 1ckv s LYS 80 Cb -0.18 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1ckv s LYS 80 CO 0.11 0.45 0.12 0.00 -0.92 0.00 0.00 175.35 175.12 1ckv s ALA 81 N -0.26 -0.03 0.05 5.17 0.00 -0.50 -0.95 121.76 125.25 1ckv s ALA 81 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ckv s ALA 81 Cb -0.13 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1ckv s ALA 81 CO 0.03 -0.43 0.09 0.54 0.00 0.00 0.00 175.76 175.99 1ckv s ASN 82 N -2.68 5.66 0.00 0.00 6.03 -1.26 0.08 114.94 122.77 1ckv s ASN 82 Ca 0.03 0.07 0.00 0.00 -1.03 0.00 0.00 52.86 51.92 1ckv s ASN 82 Cb 0.04 -1.57 0.00 0.00 -3.03 0.00 0.00 41.25 36.69 1ckv s ASN 82 CO -0.09 0.20 0.00 0.61 -2.03 0.00 0.00 177.10 175.79 1ckv n GLY 83 N 0.66 0.59 0.00 0.45 0.00 -1.26 -4.67 105.19 100.95 1ckv n GLY 83 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.97 1.61 0.00 -1.26 -3.56 118.16 110.97 1ckv n LYS 84 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 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 0.96 0.00 0.00 0.00 177.40 178.36 1ckv s ILE 85 N -2.00 0.18 -0.03 0.58 -0.00 -0.63 -5.03 121.20 114.27 1ckv s ILE 85 Ca 0.00 -1.49 -0.00 0.00 -0.00 0.00 0.00 60.65 59.15 1ckv s ILE 85 Cb 0.00 -1.46 0.03 0.00 -0.00 0.00 0.00 42.46 41.03 1ckv s ILE 85 CO 0.00 -0.80 0.02 -1.83 -0.00 0.00 0.00 174.94 172.34 1ckv s GLU 86 N -3.90 0.12 0.09 0.37 -1.05 -1.26 0.37 118.70 113.44 1ckv s GLU 86 Ca 0.07 0.17 -0.09 0.00 -0.15 0.00 0.00 54.97 54.98 1ckv s GLU 86 Cb 0.06 -0.42 -0.06 0.00 -0.44 0.00 0.00 34.13 33.27 1ckv s GLU 86 CO -0.10 -0.19 0.39 0.08 0.95 0.00 0.00 175.26 176.39 1ckv s VAL 87 N 1.30 5.12 0.30 1.83 1.01 0.19 -4.89 120.40 125.26 1ckv s VAL 87 Ca -0.06 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 1ckv s VAL 87 Cb -0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1ckv s VAL 87 CO -0.03 0.23 0.64 1.51 0.00 0.00 0.00 175.10 177.46 1ckv s ASP 88 N -1.91 6.60 -0.43 3.32 1.47 -1.26 0.17 116.67 124.62 1ckv s ASP 88 Ca 0.35 1.00 -0.07 0.00 1.18 0.00 0.00 52.55 55.02 1ckv s ASP 88 Cb -0.13 -2.26 0.11 0.00 -0.34 0.00 0.00 42.92 40.29 1ckv s ASP 88 CO 0.19 -0.20 0.27 0.00 0.68 0.00 0.00 175.17 176.11 1ckv n ASP 90 N 4.78 0.00 0.00 0.00 9.92 -1.26 -4.62 116.55 125.37 1ckv n ASP 90 Ca -0.06 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1ckv n ASP 90 Cb 0.41 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ckv h GLU 91 N 0.00 -0.01 0.55 -1.24 4.39 -2.00 -3.04 114.58 113.23 1ckv h GLU 91 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ckv h GLU 91 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1ckv h GLU 91 CO 0.00 -0.01 -0.26 0.97 -1.16 0.00 0.00 179.01 178.55 1ckv h ILE 92 N -0.05 0.43 -1.36 3.13 2.10 -1.88 -2.57 117.51 117.31 1ckv h ILE 92 Ca -0.00 -0.17 0.40 0.00 1.08 0.00 0.00 64.86 66.17 1ckv h ILE 92 Cb 0.01 0.50 -0.08 0.00 -1.09 0.00 0.00 36.82 36.16 1ckv h ILE 92 CO 0.00 0.03 0.94 -1.28 -1.08 0.00 0.00 178.15 176.76 1ckv h SER 93 N -0.84 0.13 0.73 2.19 0.87 -1.87 1.26 113.55 116.02 1ckv h SER 93 Ca -0.08 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1ckv h SER 93 Cb 0.61 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1ckv h SER 93 CO 0.12 -0.03 -0.35 -0.33 -0.53 0.00 0.00 176.83 175.72 1ckv h GLU 94 N 0.09 -0.95 0.00 2.24 3.07 -1.34 0.25 114.58 117.94 1ckv h GLU 94 Ca 0.71 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.63 1ckv h GLU 94 Cb 2.53 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 30.65 1ckv h GLU 94 CO -0.15 -0.63 0.00 1.25 -1.40 0.00 0.00 179.01 178.08 1ckv h LEU 95 N -1.14 0.00 -2.62 1.33 6.46 -0.96 0.60 115.31 118.98 1ckv h LEU 95 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1ckv h LEU 95 Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1ckv h LEU 95 CO 0.17 0.00 0.00 0.18 -0.62 0.00 0.00 178.44 178.17 1ckv n LEU 96 N -2.66 3.64 0.00 2.25 7.99 0.42 -4.83 117.00 123.81 1ckv n LEU 96 Ca 0.03 -1.83 0.00 0.00 -0.01 0.00 0.00 56.01 54.20 1ckv n LEU 96 Cb 0.38 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1ckv n LEU 96 CO 0.28 0.87 0.00 0.61 -1.51 0.00 0.00 177.39 177.64 1ckv n GLY 97 N 1.44 -0.42 2.35 -0.72 0.00 0.76 -4.89 105.19 103.70 1ckv n GLY 97 Ca 0.21 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1ckv n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ckv n ARG 98 N 0.00 0.00 -1.22 1.61 0.00 0.19 0.45 116.66 117.69 1ckv n ARG 98 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 1ckv n ARG 98 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 32.46 31.53 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 0.90 -0.79 -0.42 -0.14 6.02 -1.26 -4.98 117.38 116.70 1ckv n GLN 99 Ca 0.13 0.70 -0.17 0.00 -0.01 0.00 0.00 57.00 57.65 1ckv n GLN 99 Cb 0.10 -4.59 0.15 0.00 1.02 0.00 0.00 30.24 26.92 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 -2.65 -3.32 0.00 1.08 3.01 0.17 -5.06 117.46 110.69 1ckv n PHE 100 Ca -0.08 -0.52 0.00 0.00 1.01 0.00 0.00 57.45 57.86 1ckv n PHE 100 Cb 0.32 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1ckv n PHE 100 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ckv n ASN 101 N -4.24 0.00 0.00 4.37 3.02 -1.26 -5.07 115.26 112.07 1ckv n ASN 101 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1ckv n ASN 101 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1ckv n ASN 101 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1ckv n VAL 102 N 0.00 0.00 1.11 2.41 3.14 -1.26 -4.94 118.33 118.79 1ckv n VAL 102 Ca 0.00 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.48 1ckv n VAL 102 Cb 0.00 0.00 0.55 0.00 -1.06 0.00 0.00 33.84 33.33 1ckv n VAL 102 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1ckv n TYR 103 N 0.00 0.00 -0.34 1.45 4.01 -1.26 -3.60 117.16 117.42 1ckv n TYR 103 Ca 0.00 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.97 1ckv n TYR 103 Cb 0.00 -0.13 0.46 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.00 0.55 -3.89 7.72 3.04 -2.00 -3.30 116.42 118.53 1ckv h ASP 104 Ca 0.00 0.16 -0.49 0.00 -3.24 0.00 0.00 57.03 53.46 1ckv h ASP 104 Cb 0.09 0.09 0.01 0.00 -1.04 0.00 0.00 39.33 38.48 1ckv h ASP 104 CO 0.00 -0.04 0.43 0.12 -2.04 0.00 0.00 179.24 177.70 1ckv s PHE 105 N -5.66 3.44 -1.71 4.15 2.19 -1.24 -3.03 117.98 116.12 1ckv s PHE 105 Ca -0.10 1.69 0.00 0.00 0.33 0.00 0.00 56.93 58.85 1ckv s PHE 105 Cb 0.29 -3.16 0.00 0.00 -1.31 0.00 0.00 43.02 38.84 1ckv s PHE 105 CO 0.79 -0.49 0.00 -0.11 1.83 0.00 0.00 175.22 177.25 1ckv n LEU 106 N 0.48 -1.05 0.07 6.12 0.00 -1.26 -4.85 117.00 116.51 1ckv n LEU 106 Ca 0.02 0.40 -0.22 0.00 0.00 0.00 0.00 56.01 56.21 1ckv n LEU 106 Cb 0.48 -2.59 -0.15 0.00 0.00 0.00 0.00 43.42 41.16 1ckv n LEU 106 CO 0.48 -0.97 -0.28 1.62 0.00 0.00 0.00 177.39 178.24 1ckv h VAL 107 N 0.00 1.20 0.00 1.96 3.04 -1.62 -3.45 116.25 117.38 1ckv h VAL 107 Ca -0.33 -2.53 -0.06 0.00 -1.01 0.00 0.00 66.70 62.76 1ckv h VAL 107 Cb 1.18 2.94 -0.08 0.00 -2.01 0.00 0.00 31.29 33.32 1ckv h VAL 107 CO 0.48 0.77 0.27 -0.67 -1.01 0.00 0.00 177.57 177.41 1ckv n ASP 108 N -3.86 -1.00 -4.07 3.17 -0.08 -1.26 -5.10 116.55 104.35 1ckv n ASP 108 Ca -0.20 -1.50 -0.35 0.00 -1.51 0.00 0.00 54.79 51.23 1ckv n ASP 108 Cb 0.97 1.00 -0.09 0.00 2.34 0.00 0.00 41.12 45.34 1ckv n ASP 108 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1ckv s VAL 109 N 0.00 3.78 0.00 5.18 -7.23 -1.26 -4.91 120.40 115.96 1ckv s VAL 109 Ca 0.03 -3.44 0.00 0.00 -1.81 0.00 0.00 61.98 56.76 1ckv s VAL 109 Cb 0.04 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1ckv s VAL 109 CO -0.03 -0.96 0.00 -1.20 -0.31 0.00 0.00 175.10 172.60 1ckv n SER 110 N 2.90 0.00 0.00 4.85 7.64 -1.26 -4.15 113.62 123.60 1ckv n SER 110 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1ckv n SER 110 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1ckv n SER 110 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ckv n SER 111 N 1.36 0.00 0.00 6.43 2.88 -1.09 -5.05 113.62 118.15 1ckv n SER 111 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ckv n SER 111 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ckv n SER 111 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ckv n THR 112 N -0.57 0.00 -3.03 2.46 5.66 -1.26 -0.63 114.28 116.90 1ckv n THR 112 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1ckv n THR 112 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 4.96 0.00 1.09 -1.09 0.21 -4.89 121.20 121.48 1ckv s ILE 113 Ca 0.00 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1ckv s ILE 113 Cb 0.00 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1ckv s ILE 113 CO 0.00 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 1ckv n GLY 114 N 3.74 4.81 3.66 6.18 0.00 -1.26 -2.18 105.19 120.14 1ckv n GLY 114 Ca 0.01 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.31 4.25 -0.22 1.61 0.52 0.46 -4.80 118.95 116.46 1ckv s ARG 115 Ca 0.00 1.54 -0.07 0.00 -0.52 0.00 0.00 55.73 56.67 1ckv s ARG 115 Cb 0.00 -3.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 1ckv s ARG 115 CO 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 175.30 174.71 1ckv s ALA 116 N 3.35 3.24 -0.06 2.13 0.00 -1.26 -1.16 121.76 127.99 1ckv s ALA 116 Ca 0.50 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1ckv s ALA 116 Cb -0.19 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 20.95 1ckv s ALA 116 CO 0.11 -0.23 0.03 1.52 0.00 0.00 0.00 175.76 177.19 1ckv s TYR 117 N 1.14 0.38 -0.06 0.00 -0.85 -1.07 -5.04 117.35 111.84 1ckv s TYR 117 Ca 0.04 0.01 -0.15 0.00 -0.52 0.00 0.00 57.07 56.46 1ckv s TYR 117 Cb -0.14 -0.65 -0.05 0.00 0.38 0.00 0.00 41.96 41.49 1ckv s TYR 117 CO 0.03 -0.28 0.38 -0.08 -1.52 0.00 0.00 175.55 174.09 1ckv s THR 118 N 2.07 5.14 -0.09 -3.49 -1.32 -1.26 -2.65 115.64 114.04 1ckv s THR 118 Ca 0.05 0.77 -0.01 0.00 -1.21 0.00 0.00 61.69 61.28 1ckv s THR 118 Cb -0.12 -3.70 0.03 0.00 -1.51 0.00 0.00 72.50 67.20 1ckv s THR 118 CO -0.04 0.50 0.00 -1.48 -2.21 0.00 0.00 174.62 171.39 1ckv s LEU 119 N -0.46 0.69 0.00 9.08 0.05 -1.25 -4.99 118.68 121.80 1ckv s LEU 119 Ca 0.22 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.21 1ckv s LEU 119 Cb -0.15 -0.48 0.00 0.00 -2.05 0.00 0.00 46.19 43.50 1ckv s LEU 119 CO 0.10 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 176.31 1ckv n GLY 120 N 5.12 0.97 2.56 -3.48 0.00 -1.26 -3.37 105.19 105.72 1ckv n GLY 120 Ca -0.08 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 2.70 0.00 1.61 2.47 -1.26 -4.98 114.94 111.48 1ckv s ASN 121 Ca 0.00 -3.00 0.00 0.00 0.42 0.00 0.00 52.86 50.28 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 -0.19 0.00 0.29 -3.72 0.00 0.00 177.10 173.48 1ckv n LYS 122 N 2.99 0.00 -3.10 0.43 5.02 -1.22 -4.25 118.16 118.04 1ckv n LYS 122 Ca 0.21 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.11 1ckv n LYS 122 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 1ckv n LYS 122 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ckv s PHE 123 N 0.00 3.46 -0.13 2.13 -0.71 0.13 -3.84 117.98 119.01 1ckv s PHE 123 Ca 0.00 1.05 -0.06 0.00 -1.04 0.00 0.00 56.93 56.88 1ckv s PHE 123 Cb 0.00 -2.79 -0.04 0.00 -1.21 0.00 0.00 43.02 38.98 1ckv s PHE 123 CO 0.00 -0.06 0.10 0.95 -1.34 0.00 0.00 175.22 174.87 1ckv s THR 124 N 1.43 5.12 -0.20 -4.49 -4.23 -1.08 0.56 115.64 112.75 1ckv s THR 124 Ca 0.32 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1ckv s THR 124 Cb -0.16 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1ckv s THR 124 CO 0.13 0.57 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.98 1ckv s ILE 125 N -0.63 2.18 0.21 2.99 1.09 0.16 -2.61 121.20 124.58 1ckv s ILE 125 Ca 0.12 -1.03 0.01 0.00 -1.10 0.00 0.00 60.65 58.65 1ckv s ILE 125 Cb -0.12 -1.99 -0.04 0.00 -1.06 0.00 0.00 42.46 39.26 1ckv s ILE 125 CO 0.02 0.43 0.37 0.28 -0.10 0.00 0.00 174.94 175.94 1ckv s THR 126 N 1.27 5.24 0.00 2.92 -1.32 -0.31 -1.60 115.64 121.84 1ckv s THR 126 Ca 0.03 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1ckv s THR 126 Cb -0.14 -3.77 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 1ckv s THR 126 CO -0.11 -0.21 0.91 -0.24 -2.21 0.00 0.00 174.62 172.76 1ckv n SER 127 N -0.85 0.00 -1.18 8.08 2.88 -1.24 0.17 113.62 121.48 1ckv n SER 127 Ca -0.06 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1ckv n SER 127 Cb 0.55 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 2.34 -1.74 -1.46 1.02 -1.23 -4.39 120.64 115.18 1ckv n GLU 128 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ckv n GLU 128 Cb 0.66 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.08 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 0.00 -4.55 -1.05 -4.62 4.32 -1.26 -4.94 117.00 104.90 1ckv n LEU 129 Ca 0.00 1.56 0.08 0.00 -0.02 0.00 0.00 56.01 57.63 1ckv n LEU 129 Cb 0.00 -2.24 0.26 0.00 -1.62 0.00 0.00 43.42 39.83 1ckv n LEU 129 CO 0.00 -1.62 0.72 0.80 -1.22 0.00 0.00 177.39 176.08 1ckv n MET 130 N 1.00 3.25 0.21 3.23 1.56 -1.26 -4.72 117.12 120.40 1ckv n MET 130 Ca -0.00 -2.67 -0.09 0.00 -0.27 0.00 0.00 57.70 54.66 1ckv n MET 130 Cb 0.00 -1.74 -0.05 0.00 2.15 0.00 0.00 33.22 33.59 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 2.52 -0.80 -6.19 -5.12 0.00 -2.06 -3.40 103.07 88.03 1ckv h GLY 131 Ca 0.00 0.33 -0.57 0.00 0.00 0.00 0.00 47.33 47.09 1ckv h GLY 131 CO 0.19 -0.28 1.19 1.08 0.00 0.00 0.00 176.54 178.72 1ckv s LEU 132 N -6.97 3.85 -1.20 3.11 1.02 -1.26 -4.89 118.68 112.33 1ckv s LEU 132 Ca -0.09 1.68 -0.06 0.00 0.02 0.00 0.00 54.13 55.68 1ckv s LEU 132 Cb 0.01 -3.53 0.08 0.00 0.02 0.00 0.00 46.19 42.77 1ckv s LEU 132 CO 0.29 -1.36 2.54 -0.90 0.02 0.00 0.00 176.35 176.94 1ckv n ASP 133 N 8.89 7.85 -0.07 2.29 5.68 -1.26 -4.70 116.55 135.22 1ckv n ASP 133 Ca 0.20 -3.07 -0.07 0.00 -0.50 0.00 0.00 54.79 51.35 1ckv n ASP 133 Cb 0.45 -1.37 -0.01 0.00 -1.14 0.00 0.00 41.12 39.06 1ckv n ASP 133 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ckv h ARG 134 N 4.38 0.17 0.00 0.11 9.65 -1.95 -3.13 114.38 123.61 1ckv h ARG 134 Ca 0.67 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.54 1ckv h ARG 134 Cb 0.39 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1ckv h ARG 134 CO 1.40 0.11 -0.07 0.36 2.80 0.00 0.00 179.97 184.56 1ckv n LYS 135 N -5.07 1.38 -0.09 0.20 2.85 -1.26 -4.63 118.16 111.53 1ckv n LYS 135 Ca -0.01 -2.01 0.04 0.00 -1.05 0.00 0.00 58.31 55.29 1ckv n LYS 135 Cb 0.12 -1.19 0.08 0.00 -0.65 0.00 0.00 35.03 33.39 1ckv n LYS 135 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckv n LEU 136 N -0.95 2.45 0.03 -5.58 7.99 -1.21 -4.68 117.00 115.05 1ckv n LEU 136 Ca 0.09 -2.26 0.20 0.00 -0.01 0.00 0.00 56.01 54.04 1ckv n LEU 136 Cb 0.56 -0.17 0.71 0.00 -0.11 0.00 0.00 43.42 44.41 1ckv n LEU 136 CO 0.01 0.61 1.18 -0.33 -1.51 0.00 0.00 177.39 177.34 1ckv h GLU 137 N 0.67 0.00 -4.08 3.23 5.08 -1.80 -3.38 114.58 114.29 1ckv h GLU 137 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1ckv h GLU 137 Cb 0.72 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.61 1ckv h GLU 137 CO 0.02 0.00 -0.79 -0.51 -1.00 0.00 0.00 179.01 176.73 1ckv s ASP 138 N -6.03 1.65 0.12 1.42 1.01 -1.26 -5.13 116.67 108.46 1ckv s ASP 138 Ca -0.05 -0.20 -0.02 0.00 0.71 0.00 0.00 52.55 52.99 1ckv s ASP 138 Cb 0.19 -0.63 0.01 0.00 1.01 0.00 0.00 42.92 43.49 1ckv s ASP 138 CO 0.69 -0.10 0.21 0.00 0.21 0.00 0.00 175.17 176.17 1ckv n TYR 139 N 4.61 -1.06 -4.15 4.23 9.36 -1.26 -5.13 117.16 123.76 1ckv n TYR 139 Ca -0.16 -0.73 -0.10 0.00 3.32 0.00 0.00 57.90 60.24 1ckv n TYR 139 Cb 0.50 0.24 -0.10 0.00 -0.63 0.00 0.00 39.34 39.35 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 -5.31 0.85 0.00 2.98 3.76 -1.26 -5.24 115.29 111.07 1ckv s HIS 140 Ca 0.08 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 1ckv s HIS 140 Cb -0.01 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.19 1ckv s HIS 140 CO 0.06 -0.46 0.00 0.00 -0.85 0.00 0.00 174.74 173.49