#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 -4.88 0.04 3.17 2.88 -1.26 -4.90 113.62 108.68 1ckv n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ckv n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ckv n SER 2 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ckv n VAL 3 N -1.55 0.14 -3.84 2.46 0.31 -1.26 -5.10 118.33 109.49 1ckv n VAL 3 Ca 0.00 0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 64.08 1ckv n VAL 3 Cb 0.00 -0.84 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 1ckv n VAL 3 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ckv s ASN 4 N -5.11 6.39 0.57 4.52 -0.87 -1.26 -4.98 114.94 114.19 1ckv s ASN 4 Ca 0.00 0.34 0.26 0.00 -1.57 0.00 0.00 52.86 51.89 1ckv s ASN 4 Cb 0.00 -1.99 1.61 0.00 -0.02 0.00 0.00 41.25 40.85 1ckv s ASN 4 CO 0.00 0.10 2.16 0.28 -2.57 0.00 0.00 177.10 177.07 1ckv h SER 5 N 2.71 0.00 -4.60 -1.22 0.02 -1.98 -3.47 113.55 105.00 1ckv h SER 5 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ckv h SER 5 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1ckv h SER 5 CO 0.73 0.00 -0.79 0.59 -1.14 0.00 0.00 176.83 176.22 1ckv n ASN 6 N -4.04 -6.16 -3.59 3.07 4.13 -1.26 -5.05 115.26 102.36 1ckv n ASN 6 Ca -0.01 1.09 -0.28 0.00 1.68 0.00 0.00 54.58 57.06 1ckv n ASN 6 Cb 0.20 -4.29 -0.16 0.00 -1.54 0.00 0.00 39.78 33.99 1ckv n ASN 6 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ckv s ALA 7 N -1.18 0.68 0.00 5.41 0.00 -1.26 -5.02 121.76 120.38 1ckv s ALA 7 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ckv s ALA 7 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1ckv s ALA 7 CO 0.60 -1.50 0.00 2.48 0.00 0.00 0.00 175.76 177.33 1ckv n TYR 8 N 5.21 0.00 -0.14 0.00 4.11 -1.26 -2.87 117.16 122.20 1ckv n TYR 8 Ca -0.06 0.00 0.28 0.00 -0.00 0.00 0.00 57.90 58.12 1ckv n TYR 8 Cb 0.44 0.00 0.63 0.00 -0.00 0.00 0.00 39.34 40.42 1ckv n TYR 8 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1ckv h ASP 9 N 0.00 0.00 0.78 9.48 5.19 -1.97 1.69 116.42 131.59 1ckv h ASP 9 Ca 0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1ckv h ASP 9 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1ckv h ASP 9 CO 0.00 0.00 -0.38 0.00 -3.12 0.00 0.00 179.24 175.74 1ckv h ALA 10 N 1.08 1.03 0.00 3.45 0.00 -1.94 0.94 119.26 123.82 1ckv h ALA 10 Ca 0.41 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1ckv h ALA 10 Cb 2.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 1ckv h ALA 10 CO -0.00 0.47 -1.78 0.41 0.00 0.00 0.00 179.25 178.35 1ckv n GLY 11 N 0.15 -1.10 0.09 0.00 0.00 0.56 -4.23 105.19 100.66 1ckv n GLY 11 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1ckv n GLY 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ckv n ILE 12 N -2.76 1.17 -3.11 -0.61 -6.64 -0.39 -4.96 119.36 102.06 1ckv n ILE 12 Ca -0.15 -0.71 -0.16 0.00 -1.77 0.00 0.00 62.75 59.96 1ckv n ILE 12 Cb 0.89 -0.68 -0.04 0.00 -1.44 0.00 0.00 39.64 38.38 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 -2.84 -0.93 0.00 6.28 2.81 0.33 -4.54 117.12 118.23 1ckv n MET 13 Ca -0.13 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1ckv n MET 13 Cb 0.88 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 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 -1.32 -0.29 0.02 3.03 0.00 -1.26 -4.29 105.19 101.08 1ckv n GLY 14 Ca -0.07 0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ckv n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ckv h LEU 15 N 0.00 -0.08 -0.68 0.99 -0.00 -1.84 0.98 115.31 114.68 1ckv h LEU 15 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1ckv h LEU 15 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1ckv h LEU 15 CO 0.00 -0.01 -0.63 2.29 -0.00 0.00 0.00 178.44 180.09 1ckv n LYS 16 N -2.90 0.82 0.00 1.13 0.00 -1.26 -4.17 118.16 111.79 1ckv n LYS 16 Ca -0.00 -0.68 0.11 0.00 -0.00 0.00 0.00 58.31 57.74 1ckv n LYS 16 Cb 0.01 -1.49 -0.08 0.00 -0.00 0.00 0.00 35.03 33.48 1ckv n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ckv n GLY 17 N 1.44 -1.06 2.64 2.58 0.00 -1.15 -4.66 105.19 104.98 1ckv n GLY 17 Ca 0.08 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.16 1.59 -0.00 1.61 2.47 0.34 -4.37 119.74 118.20 1ckv s LYS 18 Ca 0.03 -2.59 0.00 0.00 -1.56 0.00 0.00 55.97 51.86 1ckv s LYS 18 Cb 0.15 -2.36 0.01 0.00 -1.46 0.00 0.00 37.83 34.17 1ckv s LYS 18 CO 0.86 -1.31 0.65 -3.47 0.16 0.00 0.00 175.35 172.23 1ckv n ASP 19 N 2.59 0.25 -0.75 1.43 2.03 -1.26 -4.70 116.55 116.14 1ckv n ASP 19 Ca 0.23 -1.32 0.03 0.00 0.52 0.00 0.00 54.79 54.25 1ckv n ASP 19 Cb 0.41 -0.05 0.13 0.00 -0.72 0.00 0.00 41.12 40.89 1ckv n ASP 19 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1ckv n PHE 20 N -0.08 0.55 -0.05 -0.67 3.72 -1.26 -4.92 117.46 114.75 1ckv n PHE 20 Ca 0.00 -0.22 -0.04 0.00 -0.05 0.00 0.00 57.45 57.14 1ckv n PHE 20 Cb 0.51 -0.13 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.25 -0.77 -1.25 4.37 0.00 -1.26 -3.66 120.51 118.18 1ckv n ALA 21 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1ckv n ALA 21 Cb 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.89 -5.70 -0.06 0.00 -0.08 -1.26 -4.65 116.55 101.90 1ckv n ASP 22 Ca 0.02 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1ckv n ASP 22 Cb 0.09 -3.95 0.00 0.00 2.34 0.00 0.00 41.12 39.59 1ckv n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckv n GLN 23 N -0.52 0.00 0.02 -0.67 6.02 -1.24 -4.86 117.38 116.12 1ckv n GLN 23 Ca -0.09 -0.53 -0.20 0.00 -0.01 0.00 0.00 57.00 56.17 1ckv n GLN 23 Cb 0.56 -0.47 -0.14 0.00 1.02 0.00 0.00 30.24 31.21 1ckv n GLN 23 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1ckv h PHE 24 N 0.00 0.43 -3.79 1.08 -1.00 -1.82 -3.44 116.94 108.40 1ckv h PHE 24 Ca 0.00 -0.31 -0.67 0.00 2.81 0.00 0.00 57.97 59.80 1ckv h PHE 24 Cb 1.05 -0.02 -0.37 0.00 3.61 0.00 0.00 35.95 40.22 1ckv h PHE 24 CO 0.01 1.38 -0.80 -0.06 -1.61 0.00 0.00 178.31 177.23 1ckv s PHE 25 N -2.42 3.17 0.00 -0.55 0.40 -1.26 -5.07 117.98 112.24 1ckv s PHE 25 Ca -0.17 -2.23 0.00 0.00 -0.60 0.00 0.00 56.93 53.93 1ckv s PHE 25 Cb 0.02 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1ckv s PHE 25 CO 0.78 -0.87 0.00 0.00 0.70 0.00 0.00 175.22 175.83 1ckv n ALA 26 N 4.46 0.00 -1.21 5.36 0.00 -1.26 -4.86 120.51 123.00 1ckv n ALA 26 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 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 -4.78 0.15 0.00 2.03 -1.26 -4.85 116.55 107.83 1ckv n ASP 27 Ca 0.00 0.18 0.02 0.00 0.52 0.00 0.00 54.79 55.51 1ckv n ASP 27 Cb 0.00 -2.92 0.14 0.00 -0.72 0.00 0.00 41.12 37.62 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 0.16 0.00 0.00 -0.67 5.08 -2.04 -3.36 114.58 113.75 1ckv h GLU 28 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ckv h GLU 28 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1ckv h GLU 28 CO 0.22 0.53 -0.27 0.09 -1.00 0.00 0.00 179.01 178.57 1ckv n ASN 29 N -3.39 0.00 -4.98 1.42 3.02 -1.26 -5.11 115.26 104.96 1ckv n ASN 29 Ca 0.01 -1.55 -0.20 0.00 -0.03 0.00 0.00 54.58 52.81 1ckv n ASN 29 Cb 0.67 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.00 3.02 0.13 3.52 -1.52 -1.26 -5.12 119.66 118.43 1ckv s GLN 30 Ca 0.00 -0.87 0.10 0.00 -1.95 0.00 0.00 55.36 52.64 1ckv s GLN 30 Cb 0.00 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 1ckv s GLN 30 CO 0.00 -0.13 -0.20 0.54 -0.25 0.00 0.00 175.29 175.25 1ckv s VAL 31 N -2.35 2.70 -0.11 1.09 0.11 -1.26 -4.94 120.40 115.63 1ckv s VAL 31 Ca 0.48 -1.62 -0.01 0.00 -2.93 0.00 0.00 61.98 57.89 1ckv s VAL 31 Cb -0.10 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.48 1ckv s VAL 31 CO 0.34 0.06 -0.06 0.54 -3.33 0.00 0.00 175.10 172.65 1ckv s VAL 32 N -1.22 3.76 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.47 1ckv s VAL 32 Ca 0.18 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1ckv s VAL 32 Cb -0.10 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.17 1ckv s VAL 32 CO 0.10 0.54 0.04 -1.00 -3.33 0.00 0.00 175.10 171.45 1ckv s HIS 33 N -0.17 3.12 -0.36 1.54 3.76 -1.26 -4.81 115.29 117.12 1ckv s HIS 33 Ca 0.02 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 53.77 1ckv s HIS 33 Cb -0.13 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1ckv s HIS 33 CO 0.03 -0.62 0.27 0.39 -0.85 0.00 0.00 174.74 173.96 1ckv n GLU 34 N 4.81 -0.72 -2.58 1.40 1.02 -1.26 -4.85 120.64 118.46 1ckv n GLU 34 Ca -0.15 0.37 -0.38 0.00 -0.02 0.00 0.00 57.16 56.97 1ckv n GLU 34 Cb 0.48 -0.99 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 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 -2.26 7.16 -0.33 1.62 0.15 -1.26 -4.96 113.70 113.82 1ckv s SER 35 Ca 0.02 2.09 0.08 0.00 0.70 0.00 0.00 55.95 58.84 1ckv s SER 35 Cb -0.00 -2.60 0.59 0.00 -1.71 0.00 0.00 66.02 62.29 1ckv s SER 35 CO 0.41 -0.21 1.64 0.47 1.20 0.00 0.00 173.24 176.75 1ckv n ASP 36 N 0.71 3.32 -4.77 5.45 8.00 -1.26 -5.02 116.55 122.99 1ckv n ASP 36 Ca 0.01 -3.57 -0.39 0.00 0.71 0.00 0.00 54.79 51.55 1ckv n ASP 36 Cb 0.47 -0.70 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ckv s THR 37 N -3.18 2.99 -0.70 -3.53 2.01 -1.26 -4.30 115.64 107.68 1ckv s THR 37 Ca 0.49 0.85 -0.22 0.00 0.31 0.00 0.00 61.69 63.12 1ckv s THR 37 Cb 0.43 -3.49 0.07 0.00 0.01 0.00 0.00 72.50 69.52 1ckv s THR 37 CO 0.06 0.09 1.01 -0.69 -0.69 0.00 0.00 174.62 174.40 1ckv s VAL 38 N -1.36 4.32 0.16 3.82 1.01 0.75 -4.90 120.40 124.21 1ckv s VAL 38 Ca 0.57 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1ckv s VAL 38 Cb -0.33 -4.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.30 1ckv s VAL 38 CO 0.42 -1.49 -0.18 -0.69 0.00 0.00 0.00 175.10 173.15 1ckv s VAL 39 N 4.04 2.75 -0.29 2.92 1.01 -0.89 -0.74 120.40 129.21 1ckv s VAL 39 Ca 0.24 -1.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.32 1ckv s VAL 39 Cb -0.15 -2.31 0.12 0.00 0.00 0.00 0.00 36.38 34.04 1ckv s VAL 39 CO 0.08 -0.04 0.82 -1.48 0.00 0.00 0.00 175.10 174.49 1ckv s LEU 40 N -2.53 -0.76 -0.13 3.92 2.34 -1.04 0.15 118.68 120.62 1ckv s LEU 40 Ca 0.21 1.18 -0.01 0.00 0.06 0.00 0.00 54.13 55.57 1ckv s LEU 40 Cb -0.09 2.06 -0.02 0.00 -0.56 0.00 0.00 46.19 47.58 1ckv s LEU 40 CO 0.11 -0.18 -0.10 0.68 -1.06 0.00 0.00 176.35 175.80 1ckv s VAL 41 N 1.72 3.33 -0.01 1.48 -7.23 0.23 -2.84 120.40 117.08 1ckv s VAL 41 Ca -0.09 -0.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1ckv s VAL 41 Cb -0.05 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1ckv s VAL 41 CO -0.18 0.52 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.76 1ckv s LEU 42 N 0.27 2.04 -0.13 1.32 2.96 -1.23 -2.65 118.68 121.25 1ckv s LEU 42 Ca -0.07 -0.30 -0.39 0.00 -0.22 0.00 0.00 54.13 53.15 1ckv s LEU 42 Cb -0.15 -0.80 -0.17 0.00 0.50 0.00 0.00 46.19 45.58 1ckv s LEU 42 CO 0.05 0.18 1.54 1.17 -1.32 0.00 0.00 176.35 177.97 1ckv n LYS 43 N 2.62 1.02 -2.14 1.98 4.81 -1.26 -2.77 118.16 122.42 1ckv n LYS 43 Ca -0.15 0.37 -0.30 0.00 -0.87 0.00 0.00 58.31 57.37 1ckv n LYS 43 Cb 0.55 -2.02 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ckv s LYS 44 N 2.12 2.75 0.37 1.64 2.36 -1.09 -4.53 119.74 123.37 1ckv s LYS 44 Ca 0.93 -0.41 0.04 0.00 -2.55 0.00 0.00 55.97 53.98 1ckv s LYS 44 Cb -1.06 -5.09 -0.06 0.00 -1.05 0.00 0.00 37.83 30.57 1ckv s LYS 44 CO 0.59 -3.14 0.05 -1.12 1.55 0.00 0.00 175.35 173.28 1ckv s SER 45 N 7.45 2.94 0.52 1.43 0.01 -1.26 -4.92 113.70 119.86 1ckv s SER 45 Ca 0.65 -1.44 0.14 0.00 1.31 0.00 0.00 55.95 56.62 1ckv s SER 45 Cb -0.06 -0.03 0.77 0.00 0.21 0.00 0.00 66.02 66.92 1ckv s SER 45 CO -0.02 -0.64 1.37 0.44 0.41 0.00 0.00 173.24 174.81 1ckv h ASP 46 N 1.92 0.00 0.00 2.44 3.32 -1.99 -1.10 116.42 121.01 1ckv h ASP 46 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1ckv h ASP 46 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ckv h ASP 46 CO 0.71 0.00 0.00 1.21 -1.72 0.00 0.00 179.24 179.44 1ckv n GLU 47 N -2.39 0.00 -0.07 3.56 2.13 -1.26 -2.54 120.64 120.07 1ckv n GLU 47 Ca -0.01 0.13 0.18 0.00 0.66 0.00 0.00 57.16 58.12 1ckv n GLU 47 Cb 0.55 -1.05 0.61 0.00 0.27 0.00 0.00 31.44 31.82 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 0.76 -0.28 6.31 5.03 -1.63 0.50 117.51 128.20 1ckv h ILE 48 Ca 0.00 -0.06 0.04 0.00 -0.12 0.00 0.00 64.86 64.72 1ckv h ILE 48 Cb 0.00 0.57 -0.07 0.00 -3.03 0.00 0.00 36.82 34.29 1ckv h ILE 48 CO 0.00 0.03 -0.54 0.78 -0.68 0.00 0.00 178.15 177.74 1ckv h ASN 49 N 0.17 -1.77 0.09 1.72 2.35 -1.24 0.74 115.58 117.64 1ckv h ASN 49 Ca 0.30 0.22 -0.21 0.00 -0.55 0.00 0.00 56.30 56.06 1ckv h ASN 49 Cb 0.93 0.71 -0.00 0.00 0.05 0.00 0.00 38.32 40.01 1ckv h ASN 49 CO -0.05 -0.43 -1.05 0.74 -1.65 0.00 0.00 177.43 174.99 1ckv h THR 50 N -0.47 1.24 -0.56 2.81 2.02 -1.08 -3.05 112.91 113.82 1ckv h THR 50 Ca 0.05 -2.40 0.11 0.00 0.77 0.00 0.00 66.41 64.94 1ckv h THR 50 Cb 0.62 2.87 -0.09 0.00 -1.74 0.00 0.00 68.15 69.81 1ckv h THR 50 CO -0.52 0.64 0.06 0.15 0.37 0.00 0.00 175.52 176.23 1ckv h PHE 51 N -0.51 0.08 -0.07 3.16 3.57 0.02 0.27 116.94 123.46 1ckv h PHE 51 Ca -0.23 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1ckv h PHE 51 Cb 1.57 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 1ckv h PHE 51 CO 0.16 -0.08 0.03 0.97 -2.23 0.00 0.00 178.31 177.16 1ckv h ILE 52 N 0.18 1.16 -0.73 1.41 6.09 0.35 0.64 117.51 126.61 1ckv h ILE 52 Ca 0.29 -0.47 0.15 0.00 -1.37 0.00 0.00 64.86 63.45 1ckv h ILE 52 Cb 0.44 1.34 -0.10 0.00 0.47 0.00 0.00 36.82 38.97 1ckv h ILE 52 CO -0.43 0.13 0.24 1.05 -3.07 0.00 0.00 178.15 176.08 1ckv h GLU 53 N -0.06 0.36 0.00 2.19 4.11 -1.14 -0.78 114.58 119.26 1ckv h GLU 53 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ckv h GLU 53 Cb 0.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ckv h GLU 53 CO -0.00 0.24 0.00 0.39 0.07 0.00 0.00 179.01 179.70 1ckv n GLU 54 N -5.06 0.00 -0.22 1.06 1.02 0.84 -2.70 120.64 115.58 1ckv n GLU 54 Ca 0.14 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.40 1ckv n GLU 54 Cb 0.42 -0.71 0.01 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.92 -0.31 0.20 -3.67 0.00 0.22 0.16 119.36 115.03 1ckv n ILE 55 Ca 0.00 1.30 -0.09 0.00 0.00 0.00 0.00 62.75 63.96 1ckv n ILE 55 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 39.64 37.91 1ckv n ILE 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1ckv h LEU 56 N 0.00 -0.48 -0.10 9.51 6.46 -1.29 -2.88 115.31 126.53 1ckv h LEU 56 Ca 0.17 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1ckv h LEU 56 Cb 0.31 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1ckv h LEU 56 CO -0.54 -0.08 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.12 1ckv h LEU 57 N -1.10 0.19 0.00 2.25 -0.00 -1.17 0.40 115.31 115.88 1ckv h LEU 57 Ca -0.06 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1ckv h LEU 57 Cb 0.43 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1ckv h LEU 57 CO 0.10 0.48 0.00 0.35 -0.00 0.00 0.00 178.44 179.37 1ckv n THR 58 N -4.79 0.00 0.31 0.22 -2.24 0.41 -1.79 114.28 106.41 1ckv n THR 58 Ca -0.06 1.41 0.18 0.00 -2.27 0.00 0.00 64.05 63.30 1ckv n THR 58 Cb 0.22 -2.21 1.01 0.00 -2.10 0.00 0.00 70.33 67.25 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 0.00 0.00 3.42 3.32 -1.58 -2.65 116.42 118.93 1ckv h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ckv h ASP 59 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ckv h ASP 59 CO 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1ckv n TYR 60 N -3.54 0.00 0.22 4.55 9.36 0.14 -0.36 117.16 127.53 1ckv n TYR 60 Ca -0.03 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.28 1ckv n TYR 60 Cb 0.09 -0.10 0.52 0.00 -0.63 0.00 0.00 39.34 39.22 1ckv n TYR 60 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 1ckv h LYS 61 N 0.00 0.00 0.07 2.98 2.10 -1.57 -2.00 116.57 118.16 1ckv h LYS 61 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ckv h LYS 61 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1ckv h LYS 61 CO 0.00 0.24 -0.18 -0.22 -2.00 0.00 0.00 179.45 177.29 1ckv h LYS 62 N 0.00 -0.27 0.00 0.07 3.64 -1.16 -3.43 116.57 115.42 1ckv h LYS 62 Ca -0.00 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1ckv h LYS 62 Cb 0.58 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1ckv h LYS 62 CO 0.03 -0.18 -0.15 0.27 -2.27 0.00 0.00 179.45 177.15 1ckv n ASN 63 N -3.48 -0.52 0.00 4.20 0.23 -0.46 -5.05 115.26 110.18 1ckv n ASN 63 Ca -0.03 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 1ckv n ASN 63 Cb 0.15 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1ckv n ASN 63 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1ckv n VAL 64 N -0.03 0.00 0.00 3.53 0.31 0.51 -5.01 118.33 117.64 1ckv n VAL 64 Ca -0.14 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1ckv n VAL 64 Cb 0.49 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.60 0.00 -0.19 4.52 3.02 -0.80 -4.96 115.26 115.25 1ckv n ASN 65 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1ckv n ASN 65 Cb 0.00 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 39.75 1ckv n ASN 65 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1ckv n PRO 66 N -1.28 0.91 0.00 3.52 -0.04 -1.26 -4.52 135.00 132.33 1ckv n PRO 66 Ca 0.00 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1ckv n PRO 66 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.71 0.00 -0.32 0.52 5.66 -1.26 -4.67 114.28 113.50 1ckv n THR 67 Ca 0.16 0.37 -0.05 0.00 -3.05 0.00 0.00 64.05 61.48 1ckv n THR 67 Cb 0.29 -0.93 -0.05 0.00 -1.55 0.00 0.00 70.33 68.09 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 -0.16 0.00 -4.80 1.08 3.14 -1.24 -4.77 118.33 111.57 1ckv n VAL 68 Ca 0.00 -0.11 -0.31 0.00 -2.96 0.00 0.00 64.34 60.96 1ckv n VAL 68 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 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 0.00 3.78 0.18 6.55 6.03 0.12 -4.92 114.94 126.68 1ckv s ASN 69 Ca 0.27 -0.37 -0.02 0.00 -1.03 0.00 0.00 52.86 51.72 1ckv s ASN 69 Cb -0.18 -0.65 -0.05 0.00 -3.03 0.00 0.00 41.25 37.35 1ckv s ASN 69 CO 0.12 0.29 0.37 0.54 -2.03 0.00 0.00 177.10 176.39 1ckv s VAL 70 N -0.83 5.21 -0.06 3.54 0.11 -1.26 0.07 120.40 127.18 1ckv s VAL 70 Ca 0.13 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.88 1ckv s VAL 70 Cb -0.10 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 1ckv s VAL 70 CO 0.03 -0.10 0.15 -0.70 -3.33 0.00 0.00 175.10 171.16 1ckv s GLU 71 N -3.10 0.12 -0.37 1.54 2.12 0.47 -4.90 118.70 114.59 1ckv s GLU 71 Ca 0.39 0.33 -0.26 0.00 0.36 0.00 0.00 54.97 55.78 1ckv s GLU 71 Cb -0.11 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.19 1ckv s GLU 71 CO 0.28 -0.12 0.94 0.34 -0.54 0.00 0.00 175.26 176.16 1ckv s ASP 72 N 0.84 6.70 0.00 -1.70 -1.08 -1.26 0.15 116.67 120.32 1ckv s ASP 72 Ca -0.06 0.61 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1ckv s ASP 72 Cb -0.08 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1ckv s ASP 72 CO -0.04 -0.87 0.00 -1.14 0.52 0.00 0.00 175.17 173.64 1ckv n ARG 73 N 6.81 0.00 0.01 4.34 3.00 -1.21 -4.98 116.66 124.63 1ckv n ARG 73 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1ckv n ARG 73 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.82 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 -1.51 3.00 -0.33 5.13 0.00 -1.26 -4.96 120.51 120.58 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 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 2.96 0.25 3.08 0.00 0.00 -1.26 -5.06 105.19 105.16 1ckv n GLY 75 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.37 0.23 0.32 1.61 2.02 -1.26 -2.66 117.35 117.25 1ckv s TYR 76 Ca 0.00 -0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 55.90 1ckv s TYR 76 Cb 0.00 -0.17 -0.09 0.00 -0.40 0.00 0.00 41.96 41.30 1ckv s TYR 76 CO 0.00 -0.32 1.02 -1.58 -1.57 0.00 0.00 175.55 173.10 1ckv s TRP 77 N -2.39 3.56 -0.38 2.71 0.52 -1.12 -3.28 118.94 118.57 1ckv s TRP 77 Ca -0.07 1.73 -0.05 0.00 0.02 0.00 0.00 56.10 57.74 1ckv s TRP 77 Cb -0.03 -3.10 0.08 0.00 -1.15 0.00 0.00 33.47 29.27 1ckv s TRP 77 CO -0.04 -0.24 0.16 -1.58 0.02 0.00 0.00 176.95 175.27 1ckv s TRP 78 N -1.44 3.40 -0.41 -1.98 0.52 0.40 -3.58 118.94 115.85 1ckv s TRP 78 Ca 0.50 -1.92 -0.16 0.00 0.02 0.00 0.00 56.10 54.55 1ckv s TRP 78 Cb -0.25 -2.76 0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1ckv s TRP 78 CO 0.31 -0.87 0.34 0.96 0.02 0.00 0.00 176.95 177.72 1ckv s ILE 79 N 1.28 5.20 -0.09 2.03 -0.00 -1.13 0.18 121.20 128.66 1ckv s ILE 79 Ca 0.02 -0.50 0.01 0.00 -0.00 0.00 0.00 60.65 60.18 1ckv s ILE 79 Cb -0.22 -3.95 -0.02 0.00 -0.00 0.00 0.00 42.46 38.27 1ckv s ILE 79 CO -0.01 -0.32 -0.10 -0.75 -0.00 0.00 0.00 174.94 173.76 1ckv s LYS 80 N 1.85 3.00 0.05 0.37 2.20 0.11 -2.50 119.74 124.82 1ckv s LYS 80 Ca 0.08 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1ckv s LYS 80 Cb -0.18 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 1ckv s LYS 80 CO 0.11 0.47 0.10 0.00 -0.36 0.00 0.00 175.35 175.67 1ckv s ALA 81 N -0.29 -0.03 -0.16 3.13 0.00 0.08 0.12 121.76 124.61 1ckv s ALA 81 Ca 0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ckv s ALA 81 Cb -0.13 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1ckv s ALA 81 CO 0.03 -0.37 -0.03 0.54 0.00 0.00 0.00 175.76 175.92 1ckv s ASN 82 N -2.43 4.79 0.00 0.00 4.22 -1.26 -0.18 114.94 120.08 1ckv s ASN 82 Ca -0.01 -0.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.57 1ckv s ASN 82 Cb 0.02 -1.79 0.00 0.00 1.28 0.00 0.00 41.25 40.76 1ckv s ASN 82 CO -0.07 0.15 0.00 0.61 -2.04 0.00 0.00 177.10 175.75 1ckv n GLY 83 N 3.66 2.05 3.64 0.45 0.00 -1.26 -4.84 105.19 108.89 1ckv n GLY 83 Ca -0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 0.08 0.20 1.61 0.00 -1.26 -3.70 119.74 116.67 1ckv s LYS 84 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 55.97 56.05 1ckv s LYS 84 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 37.83 37.82 1ckv s LYS 84 CO 0.00 -0.03 -0.14 -1.50 0.00 0.00 0.00 175.35 173.69 1ckv s ILE 85 N -1.28 1.67 -0.15 3.79 2.07 0.51 -4.86 121.20 122.95 1ckv s ILE 85 Ca 0.09 -2.19 -0.07 0.00 -1.41 0.00 0.00 60.65 57.07 1ckv s ILE 85 Cb -0.01 -2.04 0.06 0.00 0.13 0.00 0.00 42.46 40.60 1ckv s ILE 85 CO -0.07 -0.60 0.34 -1.83 -1.91 0.00 0.00 174.94 170.87 1ckv s GLU 86 N -3.66 0.28 0.08 3.50 -1.05 -1.26 0.11 118.70 116.70 1ckv s GLU 86 Ca 0.22 0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 55.73 1ckv s GLU 86 Cb -0.00 0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.66 1ckv s GLU 86 CO 0.06 -0.21 0.36 0.08 0.95 0.00 0.00 175.26 176.51 1ckv s VAL 87 N 1.85 5.16 0.16 1.83 1.01 0.32 -4.90 120.40 125.83 1ckv s VAL 87 Ca -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1ckv s VAL 87 Cb -0.10 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1ckv s VAL 87 CO -0.11 0.23 0.39 -0.62 0.00 0.00 0.00 175.10 174.99 1ckv s ASP 88 N -1.95 6.46 -0.50 3.32 -1.08 -1.26 0.95 116.67 122.60 1ckv s ASP 88 Ca 0.34 0.54 -0.12 0.00 -0.52 0.00 0.00 52.55 52.80 1ckv s ASP 88 Cb -0.13 -2.07 0.12 0.00 -1.46 0.00 0.00 42.92 39.38 1ckv s ASP 88 CO 0.20 0.01 0.41 0.00 0.52 0.00 0.00 175.17 176.31 1ckv n ASP 90 N 5.05 0.00 0.00 0.00 8.00 -1.26 -4.69 116.55 123.65 1ckv n ASP 90 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1ckv n ASP 90 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ckv n GLU 91 N 0.00 0.00 0.14 -1.24 -0.58 -1.26 -1.78 120.64 115.91 1ckv n GLU 91 Ca 0.00 0.18 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 1ckv n GLU 91 Cb 0.00 -0.93 -0.07 0.00 -0.57 0.00 0.00 31.44 29.87 1ckv n GLU 91 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1ckv h ILE 92 N 0.00 0.25 -1.10 -3.67 2.10 -1.85 -1.56 117.51 111.68 1ckv h ILE 92 Ca 0.00 0.00 0.30 0.00 1.08 0.00 0.00 64.86 66.24 1ckv h ILE 92 Cb 0.00 0.25 -0.10 0.00 -1.09 0.00 0.00 36.82 35.88 1ckv h ILE 92 CO 0.00 0.00 0.71 0.77 -1.08 0.00 0.00 178.15 178.55 1ckv h SER 93 N -0.63 0.39 -0.45 2.19 4.64 -1.88 1.54 113.55 119.35 1ckv h SER 93 Ca 0.02 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1ckv h SER 93 Cb 0.63 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1ckv h SER 93 CO -0.18 0.03 0.23 -0.33 -0.87 0.00 0.00 176.83 175.70 1ckv h GLU 94 N 0.31 0.45 0.00 4.77 4.39 -0.46 1.01 114.58 125.05 1ckv h GLU 94 Ca 0.64 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1ckv h GLU 94 Cb 1.75 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1ckv h GLU 94 CO -0.31 0.30 -0.97 -0.11 -1.16 0.00 0.00 179.01 176.76 1ckv n LEU 95 N -4.89 0.77 -1.50 1.33 7.94 0.73 -2.79 117.00 118.58 1ckv n LEU 95 Ca 0.03 0.26 0.09 0.00 -1.11 0.00 0.00 56.01 55.28 1ckv n LEU 95 Cb 0.11 -0.08 0.34 0.00 0.53 0.00 0.00 43.42 44.31 1ckv n LEU 95 CO 0.30 -0.13 0.79 0.18 -1.11 0.00 0.00 177.39 177.42 1ckv n LEU 96 N -2.48 4.43 0.00 -1.96 7.99 0.49 -4.86 117.00 120.62 1ckv n LEU 96 Ca 0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 56.01 53.77 1ckv n LEU 96 Cb 0.52 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1ckv n LEU 96 CO 0.40 0.80 0.00 0.61 -1.51 0.00 0.00 177.39 177.69 1ckv n GLY 97 N 1.20 0.60 2.12 -0.72 0.00 0.10 -4.87 105.19 103.63 1ckv n GLY 97 Ca 0.24 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.30 1.61 0.00 0.31 -1.69 116.66 115.59 1ckv n ARG 98 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1ckv n ARG 98 Cb 0.00 -0.65 -0.04 0.00 -0.00 0.00 0.00 32.46 31.76 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 0.98 -0.97 0.00 2.89 6.02 -1.26 -4.95 117.38 120.08 1ckv n GLN 99 Ca 0.05 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 1ckv n GLN 99 Cb 0.31 -4.85 0.00 0.00 1.02 0.00 0.00 30.24 26.71 1ckv n GLN 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ckv n PHE 100 N -2.57 -2.00 -1.88 1.08 -0.00 -0.68 -5.10 117.46 106.31 1ckv n PHE 100 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1ckv n PHE 100 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.88 1ckv n PHE 100 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1ckv n ASN 101 N -1.61 0.00 -0.01 -2.13 3.02 -1.26 -5.07 115.26 108.20 1ckv n ASN 101 Ca 0.00 -0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.26 1ckv n ASN 101 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.33 0.18 1.86 2.41 3.14 -1.26 -4.60 118.33 119.73 1ckv n VAL 102 Ca 0.00 -0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.35 1ckv n VAL 102 Cb 0.00 -0.87 0.39 0.00 -1.06 0.00 0.00 33.84 32.30 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 -2.20 0.05 -0.32 1.45 4.01 -1.26 -3.85 117.16 115.04 1ckv n TYR 103 Ca -0.05 -0.02 -0.02 0.00 -0.16 0.00 0.00 57.90 57.65 1ckv n TYR 103 Cb 0.58 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.75 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 0.36 1.07 0.48 7.72 1.82 -1.98 1.00 116.42 126.89 1ckv h ASP 104 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1ckv h ASP 104 Cb 0.08 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.82 1ckv h ASP 104 CO 0.00 0.81 0.00 0.33 -1.61 0.00 0.00 179.24 178.77 1ckv n PHE 105 N -4.37 0.68 -2.63 0.28 -0.00 -1.25 -2.94 117.46 107.22 1ckv n PHE 105 Ca 0.10 0.29 0.01 0.00 -0.00 0.00 0.00 57.45 57.85 1ckv n PHE 105 Cb 0.05 -0.97 0.04 0.00 -0.00 0.00 0.00 39.48 38.60 1ckv n PHE 105 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1ckv n LEU 106 N -2.14 0.92 0.02 -2.13 0.00 -0.30 -4.71 117.00 108.66 1ckv n LEU 106 Ca 0.01 -2.56 -0.12 0.00 0.00 0.00 0.00 56.01 53.34 1ckv n LEU 106 Cb 0.16 0.23 -0.14 0.00 0.00 0.00 0.00 43.42 43.67 1ckv n LEU 106 CO 0.16 0.91 -0.42 1.62 0.00 0.00 0.00 177.39 179.66 1ckv h VAL 107 N 5.99 1.02 0.00 1.96 3.04 0.11 -3.44 116.25 124.92 1ckv h VAL 107 Ca -0.23 -2.78 -0.03 0.00 -1.01 0.00 0.00 66.70 62.65 1ckv h VAL 107 Cb 1.53 2.58 -0.02 0.00 -2.01 0.00 0.00 31.29 33.37 1ckv h VAL 107 CO 0.09 0.70 -0.04 -0.67 -1.01 0.00 0.00 177.57 176.63 1ckv n ASP 108 N -3.26 -0.22 -4.71 3.17 2.03 -1.26 -5.07 116.55 107.23 1ckv n ASP 108 Ca -0.16 -1.04 -0.30 0.00 0.52 0.00 0.00 54.79 53.81 1ckv n ASP 108 Cb 1.03 0.10 0.15 0.00 -0.72 0.00 0.00 41.12 41.68 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 2.54 0.19 5.18 -7.23 -1.26 -4.94 120.40 114.89 1ckv s VAL 109 Ca 0.01 0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 1ckv s VAL 109 Cb 0.06 -2.65 0.10 0.00 0.56 0.00 0.00 36.38 34.45 1ckv s VAL 109 CO -0.02 -0.23 1.74 0.28 -0.31 0.00 0.00 175.10 176.56 1ckv h SER 110 N -1.63 0.12 -2.95 4.85 0.02 -1.97 -3.45 113.55 108.55 1ckv h SER 110 Ca -0.50 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1ckv h SER 110 Cb 1.29 0.07 -0.28 0.00 0.14 0.00 0.00 62.40 63.62 1ckv h SER 110 CO 0.55 0.10 0.59 -0.94 -1.14 0.00 0.00 176.83 175.99 1ckv s SER 111 N -5.36 -0.32 -0.45 3.07 1.04 -1.09 -5.01 113.70 105.57 1ckv s SER 111 Ca -0.13 0.60 0.06 0.00 0.48 0.00 0.00 55.95 56.97 1ckv s SER 111 Cb 0.15 0.61 0.21 0.00 0.10 0.00 0.00 66.02 67.09 1ckv s SER 111 CO 0.73 -0.12 0.61 0.35 0.98 0.00 0.00 173.24 175.79 1ckv n THR 112 N 1.90 -0.50 -1.57 2.02 -2.24 -1.26 0.74 114.28 113.37 1ckv n THR 112 Ca -0.11 -2.49 -0.41 0.00 -2.27 0.00 0.00 64.05 58.76 1ckv n THR 112 Cb 0.56 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 1ckv n THR 112 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ckv n ILE 113 N 2.26 0.18 0.00 2.28 2.08 0.39 -4.73 119.36 121.82 1ckv n ILE 113 Ca 0.20 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1ckv n ILE 113 Cb 0.55 -2.56 0.00 0.00 -0.75 0.00 0.00 39.64 36.88 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 5.93 4.61 3.69 7.39 0.00 -1.26 -2.08 105.19 123.46 1ckv n GLY 114 Ca 0.34 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.82 4.38 -0.22 1.61 0.52 0.59 -4.81 118.95 117.20 1ckv s ARG 115 Ca 0.00 1.61 -0.08 0.00 -0.52 0.00 0.00 55.73 56.74 1ckv s ARG 115 Cb 0.00 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1ckv s ARG 115 CO 0.00 -0.39 0.08 0.00 0.02 0.00 0.00 175.30 175.01 1ckv s ALA 116 N 2.04 3.34 -0.08 2.13 0.00 -1.26 -0.78 121.76 127.15 1ckv s ALA 116 Ca 0.54 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1ckv s ALA 116 Cb -0.23 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.87 1ckv s ALA 116 CO 0.22 -0.14 -0.02 1.52 0.00 0.00 0.00 175.76 177.33 1ckv s TYR 117 N 0.97 0.88 0.27 0.00 -0.85 -0.63 -5.02 117.35 112.98 1ckv s TYR 117 Ca 0.04 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 1ckv s TYR 117 Cb -0.14 -0.91 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 1ckv s TYR 117 CO 0.03 -0.37 0.44 -0.08 -1.52 0.00 0.00 175.55 174.05 1ckv s THR 118 N 1.84 5.19 -0.27 -3.49 -1.32 -1.26 -1.67 115.64 114.66 1ckv s THR 118 Ca 0.04 -0.63 -0.08 0.00 -1.21 0.00 0.00 61.69 59.82 1ckv s THR 118 Cb -0.12 -3.82 0.13 0.00 -1.51 0.00 0.00 72.50 67.17 1ckv s THR 118 CO -0.06 -0.37 0.57 -1.48 -2.21 0.00 0.00 174.62 171.07 1ckv s LEU 119 N -3.91 -1.02 0.00 9.08 0.05 -1.20 -4.98 118.68 116.70 1ckv s LEU 119 Ca 0.37 1.25 0.00 0.00 0.05 0.00 0.00 54.13 55.80 1ckv s LEU 119 Cb -0.10 1.97 0.00 0.00 -2.05 0.00 0.00 46.19 46.01 1ckv s LEU 119 CO 0.32 -0.23 0.00 0.61 -0.55 0.00 0.00 176.35 176.49 1ckv n GLY 120 N 5.43 0.96 2.60 -3.48 0.00 -1.26 -3.29 105.19 106.16 1ckv n GLY 120 Ca -0.09 0.51 -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 2.98 0.00 1.61 2.47 -1.26 -4.99 114.94 111.75 1ckv s ASN 121 Ca 0.00 -3.03 0.00 0.00 0.42 0.00 0.00 52.86 50.25 1ckv s ASN 121 Cb 0.00 -0.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.93 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 2.96 0.00 -3.88 0.43 5.02 -1.21 -4.20 118.16 117.29 1ckv n LYS 122 Ca 0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 1ckv n LYS 122 Cb 0.40 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.33 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 3.38 -0.13 2.13 -0.71 0.27 -3.24 117.98 119.67 1ckv s PHE 123 Ca 0.00 0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 56.13 1ckv s PHE 123 Cb 0.00 -2.07 -0.03 0.00 -1.21 0.00 0.00 43.02 39.70 1ckv s PHE 123 CO 0.00 0.34 0.00 0.99 -1.34 0.00 0.00 175.22 175.21 1ckv s THR 124 N 0.04 4.27 -0.22 -4.49 2.01 -0.67 0.12 115.64 116.71 1ckv s THR 124 Ca 0.08 -0.24 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 1ckv s THR 124 Cb -0.12 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1ckv s THR 124 CO -0.00 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 1ckv s ILE 125 N -0.19 2.52 0.18 1.82 1.09 0.31 -1.60 121.20 125.32 1ckv s ILE 125 Ca 0.05 -0.97 0.07 0.00 -1.10 0.00 0.00 60.65 58.70 1ckv s ILE 125 Cb -0.12 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.05 1ckv s ILE 125 CO 0.02 0.36 0.04 0.28 -0.10 0.00 0.00 174.94 175.53 1ckv s THR 126 N 1.31 3.91 0.00 2.92 -1.32 0.04 -0.36 115.64 122.14 1ckv s THR 126 Ca 0.02 -1.37 0.04 0.00 -1.21 0.00 0.00 61.69 59.18 1ckv s THR 126 Cb -0.15 -2.99 0.07 0.00 -1.51 0.00 0.00 72.50 67.93 1ckv s THR 126 CO -0.08 -0.13 0.98 -0.24 -2.21 0.00 0.00 174.62 172.93 1ckv n SER 127 N -0.25 0.14 -2.35 8.08 2.88 -1.25 0.22 113.62 121.10 1ckv n SER 127 Ca -0.09 -1.89 -0.21 0.00 -1.33 0.00 0.00 58.87 55.34 1ckv n SER 127 Cb 0.55 -0.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.09 3.11 -0.28 -1.46 1.02 -1.24 -4.55 120.64 117.32 1ckv n GLU 128 Ca 0.00 -4.15 0.01 0.00 -0.02 0.00 0.00 57.16 53.00 1ckv n GLU 128 Cb 0.76 -2.10 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.54 0.31 -1.39 -4.62 7.99 -1.26 -4.79 117.00 112.69 1ckv n LEU 129 Ca 0.35 -0.93 0.07 0.00 -0.01 0.00 0.00 56.01 55.49 1ckv n LEU 129 Cb 0.81 -0.04 0.30 0.00 -0.11 0.00 0.00 43.42 44.38 1ckv n LEU 129 CO 0.33 0.23 0.74 0.23 -1.51 0.00 0.00 177.39 177.40 1ckv n MET 130 N -0.15 3.38 -2.81 3.23 2.81 -1.26 -4.50 117.12 117.81 1ckv n MET 130 Ca 0.01 -2.35 -0.10 0.00 -1.81 0.00 0.00 57.70 53.45 1ckv n MET 130 Cb 0.61 -1.84 0.04 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.90 0.52 0.22 3.03 0.00 -1.26 -5.01 105.19 103.58 1ckv n GLY 131 Ca 0.21 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 3.86 -0.40 -1.07 0.99 4.07 -1.94 -3.47 115.31 117.34 1ckv h LEU 132 Ca -0.11 -0.06 -0.35 0.00 0.08 0.00 0.00 57.88 57.43 1ckv h LEU 132 Cb 1.02 0.10 0.14 0.00 1.08 0.00 0.00 40.66 43.00 1ckv h LEU 132 CO 0.33 -0.19 -0.65 0.47 -1.08 0.00 0.00 178.44 177.31 1ckv n ASP 133 N -5.24 -5.04 0.29 -0.43 8.00 -1.26 -4.94 116.55 107.93 1ckv n ASP 133 Ca -0.10 -0.52 -0.16 0.00 0.71 0.00 0.00 54.79 54.72 1ckv n ASP 133 Cb 0.24 -4.74 -0.08 0.00 -0.02 0.00 0.00 41.12 36.52 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 -2.33 -0.71 -0.45 -1.24 9.65 -1.92 -3.28 114.38 114.10 1ckv h ARG 134 Ca -0.53 0.05 -0.27 0.00 -1.10 0.00 0.00 59.98 58.13 1ckv h ARG 134 Cb 1.34 0.16 -0.16 0.00 -1.39 0.00 0.00 29.97 29.91 1ckv h ARG 134 CO 0.51 -0.41 -0.11 0.36 2.80 0.00 0.00 179.97 183.12 1ckv n LYS 135 N -5.34 2.12 0.00 0.20 0.00 -1.26 -4.10 118.16 109.78 1ckv n LYS 135 Ca -0.12 -3.33 0.00 0.00 -0.00 0.00 0.00 58.31 54.86 1ckv n LYS 135 Cb 0.33 -1.91 0.00 0.00 -0.00 0.00 0.00 35.03 33.44 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 -1.06 0.00 -0.33 -5.58 4.77 -1.24 -4.93 117.00 108.64 1ckv n LEU 136 Ca 0.37 0.00 0.27 0.00 -0.03 0.00 0.00 56.01 56.63 1ckv n LEU 136 Cb 1.01 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.61 1ckv n LEU 136 CO 0.26 0.00 0.99 -0.62 -1.33 0.00 0.00 177.39 176.69 1ckv n GLU 137 N 0.00 -0.06 -3.81 3.23 4.71 -1.26 -3.45 120.64 119.99 1ckv n GLU 137 Ca 0.00 1.40 -0.36 0.00 -0.01 0.00 0.00 57.16 58.19 1ckv n GLU 137 Cb 0.00 -2.44 -0.12 0.00 -1.01 0.00 0.00 31.44 27.86 1ckv n GLU 137 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1ckv s ASP 138 N -4.65 5.16 0.00 1.62 -4.77 -1.26 -5.04 116.67 107.73 1ckv s ASP 138 Ca -0.10 -1.73 0.00 0.00 -3.30 0.00 0.00 52.55 47.42 1ckv s ASP 138 Cb 0.33 -1.80 0.00 0.00 -1.09 0.00 0.00 42.92 40.36 1ckv s ASP 138 CO 0.78 -0.44 0.00 0.00 0.70 0.00 0.00 175.17 176.20 1ckv n TYR 139 N 4.62 -0.35 -0.64 2.11 4.11 -1.22 -4.33 117.16 121.46 1ckv n TYR 139 Ca -0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.53 1ckv n TYR 139 Cb 0.42 0.00 0.19 0.00 -0.00 0.00 0.00 39.34 39.95 1ckv n TYR 139 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1ckv n HIS 140 N 0.00 -0.28 -1.70 -3.48 8.25 -1.26 -5.07 115.22 111.68 1ckv n HIS 140 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1ckv n HIS 140 Cb 0.00 -1.85 0.00 0.00 1.12 0.00 0.00 29.99 29.26 1ckv n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98