#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 -1.03 -4.35 7.83 7.64 -1.26 -4.99 113.62 117.46 1ckv n SER 2 Ca 0.00 0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.85 1ckv n SER 2 Cb 0.00 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 1ckv n SER 2 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ckv n VAL 3 N -3.10 4.00 -3.95 0.44 0.31 -1.26 -4.97 118.33 109.81 1ckv n VAL 3 Ca 0.00 -4.15 -0.30 0.00 -0.01 0.00 0.00 64.34 59.88 1ckv n VAL 3 Cb 0.00 -2.42 -0.04 0.00 -0.91 0.00 0.00 33.84 30.46 1ckv n VAL 3 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ckv s ASN 4 N 3.34 6.22 0.32 4.52 4.22 -1.26 -5.06 114.94 127.22 1ckv s ASN 4 Ca 0.48 0.20 -0.29 0.00 -2.14 0.00 0.00 52.86 51.11 1ckv s ASN 4 Cb 0.04 -1.87 -0.11 0.00 1.28 0.00 0.00 41.25 40.59 1ckv s ASN 4 CO 0.02 0.14 1.54 -0.44 -2.04 0.00 0.00 177.10 176.33 1ckv s SER 5 N -2.65 6.40 0.13 3.54 0.01 -1.26 -4.50 113.70 115.37 1ckv s SER 5 Ca 0.34 2.94 0.00 0.00 1.31 0.00 0.00 55.95 60.54 1ckv s SER 5 Cb -0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1ckv s SER 5 CO 0.27 -0.87 0.00 0.59 0.41 0.00 0.00 173.24 173.64 1ckv n ASN 6 N 1.62 -8.27 -1.61 2.44 3.02 -1.26 -5.08 115.26 106.12 1ckv n ASN 6 Ca 0.06 1.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.95 1ckv n ASN 6 Cb 0.38 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 1ckv n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ckv n ALA 7 N 1.65 0.00 -1.95 5.41 0.00 -1.26 -5.08 120.51 119.28 1ckv n ALA 7 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ckv n ALA 7 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1ckv n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ckv n TYR 8 N 0.00 0.00 0.13 0.00 4.19 -1.26 -4.83 117.16 115.38 1ckv n TYR 8 Ca 0.00 -0.11 0.08 0.00 3.31 0.00 0.00 57.90 61.17 1ckv n TYR 8 Cb 0.00 -0.06 0.40 0.00 0.49 0.00 0.00 39.34 40.17 1ckv n TYR 8 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1ckv n ASP 9 N -0.09 0.38 0.19 2.98 9.92 -1.26 0.82 116.55 129.50 1ckv n ASP 9 Ca 0.02 0.64 0.13 0.00 -0.53 0.00 0.00 54.79 55.04 1ckv n ASP 9 Cb 0.72 -0.66 0.27 0.00 -0.64 0.00 0.00 41.12 40.80 1ckv n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckv h ALA 10 N 1.73 1.00 0.00 2.24 0.00 -2.04 -3.35 119.26 118.84 1ckv h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckv h ALA 10 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 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 1.06 0.93 0.34 0.00 0.00 0.20 -4.75 105.19 102.96 1ckv n GLY 11 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 0.03 0.07 -0.20 -0.61 -0.00 0.28 1.30 117.51 118.39 1ckv h ILE 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1ckv h ILE 12 Cb 0.01 0.95 0.00 0.00 -0.00 0.00 0.00 36.82 37.79 1ckv h ILE 12 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 178.15 178.38 1ckv n MET 13 N -3.17 1.49 0.01 0.16 0.00 -1.26 -2.60 117.12 111.75 1ckv n MET 13 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 57.70 56.91 1ckv n MET 13 Cb 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.15 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 0.86 -0.13 0.00 3.03 0.00 0.27 -4.25 105.19 104.96 1ckv n GLY 14 Ca 0.08 0.01 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 -2.55 0.00 -0.88 0.99 7.99 0.38 0.20 117.00 123.12 1ckv n LEU 15 Ca 0.00 0.61 0.07 0.00 -0.01 0.00 0.00 56.01 56.68 1ckv n LEU 15 Cb 0.00 -0.11 0.21 0.00 -0.11 0.00 0.00 43.42 43.40 1ckv n LEU 15 CO 0.00 -0.11 0.67 0.29 -1.51 0.00 0.00 177.39 176.73 1ckv n LYS 16 N -0.94 2.16 -0.01 3.23 4.01 -1.26 -3.87 118.16 121.48 1ckv n LYS 16 Ca 0.00 -1.67 0.01 0.00 -0.51 0.00 0.00 58.31 56.14 1ckv n LYS 16 Cb 0.00 -1.40 -0.03 0.00 -0.51 0.00 0.00 35.03 33.09 1ckv n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ckv n GLY 17 N 1.17 -0.17 2.68 0.72 0.00 -1.07 -4.85 105.19 103.67 1ckv n GLY 17 Ca 0.15 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1ckv n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckv s LYS 18 N -2.21 1.75 0.00 1.61 2.47 0.13 -4.75 119.74 118.74 1ckv s LYS 18 Ca -0.01 -2.76 0.00 0.00 -1.56 0.00 0.00 55.97 51.64 1ckv s LYS 18 Cb 0.02 -2.53 0.00 0.00 -1.46 0.00 0.00 37.83 33.86 1ckv s LYS 18 CO 0.15 -1.32 0.50 -3.47 0.16 0.00 0.00 175.35 171.37 1ckv n ASP 19 N 2.43 0.19 -1.14 1.43 -0.08 -1.26 -4.61 116.55 113.50 1ckv n ASP 19 Ca 0.23 -1.09 -0.15 0.00 -1.51 0.00 0.00 54.79 52.27 1ckv n ASP 19 Cb 0.40 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.80 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 -0.04 0.00 -0.32 -0.67 7.35 -1.26 -4.96 117.46 117.55 1ckv n PHE 20 Ca 0.00 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.52 1ckv n PHE 20 Cb 0.45 -2.81 0.16 0.00 0.35 0.00 0.00 39.48 37.64 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 1.28 -2.90 -1.15 3.13 0.00 -1.26 -3.47 120.51 116.13 1ckv n ALA 21 Ca -0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 53.44 52.39 1ckv n ALA 21 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.76 -5.35 -0.19 0.00 -0.08 -1.26 -4.62 116.55 102.30 1ckv n ASP 22 Ca 0.08 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1ckv n ASP 22 Cb 0.33 -3.31 0.00 0.00 2.34 0.00 0.00 41.12 40.48 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 -0.56 0.00 -0.06 -0.67 6.02 -1.23 -4.92 117.38 115.96 1ckv n GLN 23 Ca -0.05 -0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 56.45 1ckv n GLN 23 Cb 0.46 -0.19 -0.12 0.00 1.02 0.00 0.00 30.24 31.40 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 0.17 -3.82 1.08 0.04 -1.82 -3.45 116.94 109.15 1ckv h PHE 24 Ca 0.00 -0.13 -0.67 0.00 2.80 0.00 0.00 57.97 59.97 1ckv h PHE 24 Cb 1.06 -0.01 -0.36 0.00 2.20 0.00 0.00 35.95 38.85 1ckv h PHE 24 CO -0.05 1.59 -0.77 -0.06 -0.60 0.00 0.00 178.31 178.41 1ckv s PHE 25 N -2.43 3.25 0.00 -0.55 0.08 -1.26 -5.07 117.98 112.00 1ckv s PHE 25 Ca -0.26 -2.17 0.00 0.00 0.12 0.00 0.00 56.93 54.61 1ckv s PHE 25 Cb 0.06 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1ckv s PHE 25 CO 0.65 -0.85 0.00 0.00 -0.10 0.00 0.00 175.22 174.92 1ckv n ALA 26 N 4.49 0.00 -1.09 5.36 0.00 -1.26 -4.90 120.51 123.11 1ckv n ALA 26 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1ckv n ALA 26 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 -3.80 0.31 0.00 2.03 -1.26 -4.88 116.55 108.95 1ckv n ASP 27 Ca 0.00 0.08 0.20 0.00 0.52 0.00 0.00 54.79 55.59 1ckv n ASP 27 Cb 0.00 -1.58 1.06 0.00 -0.72 0.00 0.00 41.12 39.88 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 0.34 0.00 -0.30 -0.67 5.08 -2.06 -3.45 114.58 113.52 1ckv h GLU 28 Ca -0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1ckv h GLU 28 Cb 0.35 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1ckv h GLU 28 CO 0.10 0.00 -0.12 -1.71 -1.00 0.00 0.00 179.01 176.28 1ckv n ASN 29 N -3.28 -4.65 -4.81 1.42 2.85 -1.26 -4.98 115.26 100.54 1ckv n ASN 29 Ca -0.02 0.16 -0.37 0.00 -0.11 0.00 0.00 54.58 54.24 1ckv n ASN 29 Cb 0.15 -2.72 -0.06 0.00 1.24 0.00 0.00 39.78 38.39 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 -2.15 3.89 -0.04 1.20 -0.21 -1.26 -5.09 119.66 116.00 1ckv s GLN 30 Ca 0.00 0.11 0.06 0.00 0.02 0.00 0.00 55.36 55.55 1ckv s GLN 30 Cb 0.00 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 1ckv s GLN 30 CO 0.00 0.55 -0.22 0.54 -2.12 0.00 0.00 175.29 174.04 1ckv s VAL 31 N -0.50 2.37 -0.11 1.09 0.11 -1.26 -5.12 120.40 116.99 1ckv s VAL 31 Ca 0.18 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1ckv s VAL 31 Cb -0.14 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 1ckv s VAL 31 CO 0.07 0.58 -0.06 0.54 -3.33 0.00 0.00 175.10 172.90 1ckv s VAL 32 N -0.55 3.77 -0.28 2.04 0.11 -1.26 -5.09 120.40 119.14 1ckv s VAL 32 Ca 0.08 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1ckv s VAL 32 Cb -0.11 -2.59 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1ckv s VAL 32 CO 0.00 0.55 0.04 -1.00 -3.33 0.00 0.00 175.10 171.37 1ckv s HIS 33 N -0.24 3.12 -0.90 1.54 3.76 -1.26 -4.75 115.29 116.57 1ckv s HIS 33 Ca 0.04 -1.08 -0.23 0.00 -0.15 0.00 0.00 55.06 53.63 1ckv s HIS 33 Cb -0.13 -2.21 0.03 0.00 1.11 0.00 0.00 32.58 31.39 1ckv s HIS 33 CO 0.02 -0.60 0.52 0.39 -0.85 0.00 0.00 174.74 174.23 1ckv n GLU 34 N 4.82 -0.53 -2.21 1.40 1.02 -1.26 -4.79 120.64 119.09 1ckv n GLU 34 Ca -0.15 0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 1ckv n GLU 34 Cb 0.48 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1ckv n GLU 34 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ckv s SER 35 N -3.64 6.10 -0.05 1.62 1.04 -1.26 -4.75 113.70 112.76 1ckv s SER 35 Ca 0.32 0.91 0.12 0.00 0.48 0.00 0.00 55.95 57.78 1ckv s SER 35 Cb -0.18 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.63 1ckv s SER 35 CO 0.76 -1.61 1.12 0.47 0.98 0.00 0.00 173.24 174.96 1ckv n ASP 36 N 9.63 -0.15 -4.44 7.02 8.00 -1.26 -4.94 116.55 130.40 1ckv n ASP 36 Ca 0.19 -2.02 -0.32 0.00 0.71 0.00 0.00 54.79 53.35 1ckv n ASP 36 Cb 0.48 0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.25 2.80 -0.83 -3.53 2.01 -1.26 -3.74 115.64 110.84 1ckv s THR 37 Ca 0.15 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 1ckv s THR 37 Cb 0.20 -2.11 0.11 0.00 0.01 0.00 0.00 72.50 70.71 1ckv s THR 37 CO -0.08 0.50 1.07 -0.69 -0.69 0.00 0.00 174.62 174.73 1ckv s VAL 38 N -0.78 4.56 0.04 3.82 1.01 0.93 -4.83 120.40 125.16 1ckv s VAL 38 Ca 0.12 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1ckv s VAL 38 Cb -0.10 -4.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.49 1ckv s VAL 38 CO 0.02 -1.49 0.06 -0.69 0.00 0.00 0.00 175.10 173.00 1ckv s VAL 39 N 3.23 4.51 -0.27 2.92 1.01 -0.94 -1.63 120.40 129.24 1ckv s VAL 39 Ca 0.29 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1ckv s VAL 39 Cb -0.09 -3.11 0.12 0.00 0.00 0.00 0.00 36.38 33.29 1ckv s VAL 39 CO -0.02 0.24 0.58 -1.48 0.00 0.00 0.00 175.10 174.42 1ckv s LEU 40 N -2.02 -0.98 -0.13 3.92 2.34 -0.97 0.83 118.68 121.66 1ckv s LEU 40 Ca 0.25 1.40 -0.00 0.00 0.06 0.00 0.00 54.13 55.84 1ckv s LEU 40 Cb -0.12 2.02 -0.02 0.00 -0.56 0.00 0.00 46.19 47.52 1ckv s LEU 40 CO 0.17 -0.22 -0.12 0.68 -1.06 0.00 0.00 176.35 175.80 1ckv s VAL 41 N 2.74 3.14 -0.01 1.48 -7.23 0.16 -2.84 120.40 117.84 1ckv s VAL 41 Ca -0.05 -0.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1ckv s VAL 41 Cb -0.12 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 1ckv s VAL 41 CO -0.17 0.52 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.75 1ckv s LEU 42 N 0.31 2.03 0.19 1.32 2.96 -1.25 -2.68 118.68 121.56 1ckv s LEU 42 Ca -0.10 -0.31 -0.33 0.00 -0.22 0.00 0.00 54.13 53.18 1ckv s LEU 42 Cb -0.16 -0.87 -0.14 0.00 0.50 0.00 0.00 46.19 45.53 1ckv s LEU 42 CO 0.05 0.21 1.48 0.29 -1.32 0.00 0.00 176.35 177.05 1ckv n LYS 43 N 2.68 1.99 -1.66 1.98 5.02 -1.26 -3.34 118.16 123.57 1ckv n LYS 43 Ca -0.15 0.71 -0.16 0.00 -2.02 0.00 0.00 58.31 56.70 1ckv n LYS 43 Cb 0.54 -2.42 -0.07 0.00 -0.02 0.00 0.00 35.03 33.06 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 0.31 1.73 0.36 1.97 2.36 -1.26 -4.63 119.74 120.57 1ckv s LYS 44 Ca 0.75 0.28 0.05 0.00 -2.55 0.00 0.00 55.97 54.49 1ckv s LYS 44 Cb -0.70 -4.85 -0.06 0.00 -1.05 0.00 0.00 37.83 31.17 1ckv s LYS 44 CO 0.44 -4.36 0.05 -1.12 1.55 0.00 0.00 175.35 171.91 1ckv s SER 45 N 10.21 2.83 0.12 1.43 0.01 -1.26 -4.96 113.70 122.08 1ckv s SER 45 Ca 0.88 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1ckv s SER 45 Cb -0.11 -0.12 0.27 0.00 0.21 0.00 0.00 66.02 66.27 1ckv s SER 45 CO 0.07 -0.59 1.01 0.47 0.41 0.00 0.00 173.24 174.61 1ckv n ASP 46 N -0.81 0.13 0.00 2.44 8.00 -1.26 -1.72 116.55 123.34 1ckv n ASP 46 Ca -0.04 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1ckv n ASP 46 Cb 0.67 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1ckv n ASP 46 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ckv n GLU 47 N -1.59 0.00 -0.36 -1.24 2.13 -1.26 -2.46 120.64 115.86 1ckv n GLU 47 Ca -0.00 0.22 0.09 0.00 0.66 0.00 0.00 57.16 58.13 1ckv n GLU 47 Cb 0.22 -0.99 0.26 0.00 0.27 0.00 0.00 31.44 31.20 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 0.87 -0.69 6.31 1.08 -1.73 0.78 117.51 124.12 1ckv h ILE 48 Ca 0.00 -0.32 0.09 0.00 -0.39 0.00 0.00 64.86 64.24 1ckv h ILE 48 Cb 0.00 -0.15 -0.11 0.00 -3.07 0.00 0.00 36.82 33.49 1ckv h ILE 48 CO 0.00 0.17 -0.49 0.78 -0.69 0.00 0.00 178.15 177.92 1ckv h ASN 49 N 0.93 -1.72 0.00 1.72 -0.26 -1.43 0.72 115.58 115.54 1ckv h ASN 49 Ca 0.52 0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 56.50 1ckv h ASN 49 Cb 0.59 0.77 -0.00 0.00 -1.06 0.00 0.00 38.32 38.62 1ckv h ASN 49 CO -0.29 -0.32 -0.39 0.74 -1.06 0.00 0.00 177.43 176.11 1ckv h THR 50 N -0.18 0.30 -0.80 2.81 2.02 -0.97 -3.03 112.91 113.06 1ckv h THR 50 Ca 0.17 -1.30 0.19 0.00 0.77 0.00 0.00 66.41 66.25 1ckv h THR 50 Cb 0.54 0.64 -0.13 0.00 -1.74 0.00 0.00 68.15 67.47 1ckv h THR 50 CO -0.76 0.10 0.17 0.15 0.37 0.00 0.00 175.52 175.55 1ckv h PHE 51 N -1.00 0.26 -0.05 3.16 3.57 0.53 0.32 116.94 123.73 1ckv h PHE 51 Ca -0.05 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ckv h PHE 51 Cb 0.50 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1ckv h PHE 51 CO -0.05 -0.16 0.01 0.97 -2.23 0.00 0.00 178.31 176.84 1ckv h ILE 52 N 0.22 1.23 -0.97 1.41 6.09 0.35 0.84 117.51 126.67 1ckv h ILE 52 Ca 0.47 -0.69 0.14 0.00 -1.37 0.00 0.00 64.86 63.42 1ckv h ILE 52 Cb 0.87 1.59 -0.09 0.00 0.47 0.00 0.00 36.82 39.66 1ckv h ILE 52 CO -0.60 0.19 0.59 1.05 -3.07 0.00 0.00 178.15 176.31 1ckv h GLU 53 N -0.18 0.84 0.00 2.19 4.11 -0.87 -1.16 114.58 119.51 1ckv h GLU 53 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ckv h GLU 53 Cb 0.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ckv h GLU 53 CO 0.00 0.56 0.00 0.39 0.07 0.00 0.00 179.01 180.03 1ckv n GLU 54 N -4.70 0.00 -0.37 1.06 -0.58 0.92 -2.66 120.64 114.30 1ckv n GLU 54 Ca 0.19 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 57.32 1ckv n GLU 54 Cb 0.42 -0.99 -0.09 0.00 -0.57 0.00 0.00 31.44 30.21 1ckv n GLU 54 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1ckv n ILE 55 N -2.00 -0.61 0.01 -3.67 0.00 0.29 0.19 119.36 113.58 1ckv n ILE 55 Ca 0.00 2.16 -0.11 0.00 0.00 0.00 0.00 62.75 64.80 1ckv n ILE 55 Cb 0.00 -2.67 0.02 0.00 0.00 0.00 0.00 39.64 36.99 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 0.64 0.07 9.51 4.07 -1.37 -3.01 115.31 125.22 1ckv h LEU 56 Ca 0.14 -0.39 -0.18 0.00 0.08 0.00 0.00 57.88 57.54 1ckv h LEU 56 Cb 0.37 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1ckv h LEU 56 CO -0.84 1.13 -0.89 -0.07 -1.08 0.00 0.00 178.44 176.69 1ckv h LEU 57 N 0.40 0.22 0.00 1.67 -0.00 -1.11 -1.45 115.31 115.04 1ckv h LEU 57 Ca -0.02 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.02 1ckv h LEU 57 Cb 1.24 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1ckv h LEU 57 CO 0.12 1.38 0.00 0.35 -0.00 0.00 0.00 178.44 180.30 1ckv n THR 58 N -4.25 0.00 -0.05 0.22 -2.24 0.49 -2.17 114.28 106.29 1ckv n THR 58 Ca -0.20 1.46 -0.08 0.00 -2.27 0.00 0.00 64.05 62.96 1ckv n THR 58 Cb 0.73 -2.21 -0.14 0.00 -2.10 0.00 0.00 70.33 66.61 1ckv n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ckv n ASP 59 N -2.35 0.50 -0.15 3.42 8.00 -1.15 -2.82 116.55 122.00 1ckv n ASP 59 Ca 0.00 0.24 0.15 0.00 0.71 0.00 0.00 54.79 55.89 1ckv n ASP 59 Cb 0.00 0.44 0.74 0.00 -0.02 0.00 0.00 41.12 42.28 1ckv n ASP 59 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ckv n TYR 60 N -2.89 0.00 -0.01 1.24 4.01 -0.64 -3.38 117.16 115.49 1ckv n TYR 60 Ca -0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.51 1ckv n TYR 60 Cb 1.06 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 40.02 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 -0.70 0.04 0.01 -0.72 3.00 -0.68 -3.95 118.16 115.16 1ckv n LYS 61 Ca 0.20 0.01 -0.11 0.00 -0.00 0.00 0.00 58.31 58.41 1ckv n LYS 61 Cb 0.23 -1.01 -0.05 0.00 0.00 0.00 0.00 35.03 34.19 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 -0.00 -0.02 0.00 1.64 3.64 -1.37 -3.44 116.57 117.02 1ckv h LYS 62 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ckv h LYS 62 Cb 1.05 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1ckv h LYS 62 CO -0.01 -0.02 0.00 0.27 -2.27 0.00 0.00 179.45 177.43 1ckv n ASN 63 N -5.15 0.00 0.20 4.20 2.04 -1.22 -5.06 115.26 110.28 1ckv n ASN 63 Ca -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.09 1ckv n ASN 63 Cb 0.08 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 1ckv n ASN 63 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1ckv n VAL 64 N 0.00 0.00 0.00 3.53 0.31 -1.22 -4.91 118.33 116.04 1ckv n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ckv n VAL 64 Cb 0.00 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -3.33 0.00 0.11 4.52 4.13 -1.25 -5.03 115.26 114.40 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 0.03 0.00 -1.54 0.00 0.00 39.78 38.27 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 -0.16 3.52 0.13 -1.98 -3.40 132.00 130.12 1ckv h PRO 66 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1ckv h PRO 66 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1ckv h PRO 66 CO 0.00 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 177.45 1ckv h THR 67 N 0.00 0.00 -0.02 1.56 1.03 -1.91 -3.37 112.91 110.20 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 0.97 0.00 -0.08 0.00 -1.07 0.00 0.00 68.15 67.96 1ckv h THR 67 CO 0.00 0.00 1.64 0.55 -0.01 0.00 0.00 175.52 177.70 1ckv n VAL 68 N -4.23 0.00 -4.85 0.00 3.14 -1.25 -4.59 118.33 106.56 1ckv n VAL 68 Ca -0.03 -0.49 -0.31 0.00 -2.96 0.00 0.00 64.34 60.55 1ckv n VAL 68 Cb 0.21 -0.17 -0.13 0.00 -1.06 0.00 0.00 33.84 32.68 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 0.90 3.74 0.17 6.55 2.20 0.08 -4.93 114.94 123.65 1ckv s ASN 69 Ca 1.00 -0.36 -0.01 0.00 -0.94 0.00 0.00 52.86 52.54 1ckv s ASN 69 Cb -0.60 -0.64 -0.04 0.00 -2.00 0.00 0.00 41.25 37.97 1ckv s ASN 69 CO 0.41 0.30 0.37 0.54 -2.94 0.00 0.00 177.10 175.77 1ckv s VAL 70 N -0.81 5.22 -0.09 3.54 0.11 -1.25 -0.24 120.40 126.88 1ckv s VAL 70 Ca 0.13 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 1ckv s VAL 70 Cb -0.10 -3.70 0.05 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 0.02 -0.36 1.54 2.02 0.51 -4.87 118.70 114.45 1ckv s GLU 71 Ca 0.38 0.47 -0.23 0.00 0.02 0.00 0.00 54.97 55.61 1ckv s GLU 71 Cb -0.11 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.65 1ckv s GLU 71 CO 0.28 -0.36 0.79 0.34 0.02 0.00 0.00 175.26 176.33 1ckv s ASP 72 N 2.26 6.56 0.00 -0.19 2.15 -1.26 0.16 116.67 126.36 1ckv s ASP 72 Ca 0.04 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.40 1ckv s ASP 72 Cb -0.12 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1ckv s ASP 72 CO -0.06 -0.72 0.00 0.54 -0.17 0.00 0.00 175.17 174.76 1ckv n ARG 73 N 6.41 0.00 -0.15 4.34 5.12 -1.14 -4.90 116.66 126.34 1ckv n ARG 73 Ca 0.03 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.97 1ckv n ARG 73 Cb 0.48 0.00 0.30 0.00 -1.16 0.00 0.00 32.46 32.09 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckv h ALA 74 N -1.76 1.54 0.00 7.54 0.00 -2.02 -3.44 119.26 121.12 1ckv h ALA 74 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ckv h ALA 74 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ckv h ALA 74 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1ckv n GLY 75 N -1.44 0.06 3.89 0.00 0.00 -1.26 -5.15 105.19 101.29 1ckv n GLY 75 Ca 0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 3.47 0.14 1.61 2.02 -1.26 -4.36 117.35 118.17 1ckv s TYR 76 Ca 0.00 1.00 -0.23 0.00 -0.37 0.00 0.00 57.07 57.48 1ckv s TYR 76 Cb 0.00 -2.72 -0.08 0.00 -0.40 0.00 0.00 41.96 38.77 1ckv s TYR 76 CO 0.00 -0.74 0.70 -1.58 -1.57 0.00 0.00 175.55 172.36 1ckv s TRP 77 N -3.09 3.84 -0.34 2.71 0.52 -1.21 -2.90 118.94 118.47 1ckv s TRP 77 Ca 0.54 1.49 -0.05 0.00 0.02 0.00 0.00 56.10 58.09 1ckv s TRP 77 Cb -0.11 -2.66 0.05 0.00 -1.15 0.00 0.00 33.47 29.60 1ckv s TRP 77 CO 0.50 0.52 0.10 -1.58 0.02 0.00 0.00 176.95 176.51 1ckv s TRP 78 N -1.18 3.29 -0.33 -1.98 0.52 0.43 -3.76 118.94 115.93 1ckv s TRP 78 Ca 0.34 -1.63 -0.14 0.00 0.02 0.00 0.00 56.10 54.69 1ckv s TRP 78 Cb -0.21 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 1ckv s TRP 78 CO 0.23 -0.78 0.30 0.96 0.02 0.00 0.00 176.95 177.68 1ckv s ILE 79 N 1.34 5.23 -0.05 2.03 -0.00 -1.13 0.19 121.20 128.81 1ckv s ILE 79 Ca -0.01 -0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.70 1ckv s ILE 79 Cb -0.20 -3.74 -0.01 0.00 -0.00 0.00 0.00 42.46 38.51 1ckv s ILE 79 CO 0.01 -0.00 -0.24 -0.54 -0.00 0.00 0.00 174.94 174.17 1ckv s LYS 80 N 1.88 2.48 0.06 0.37 1.02 0.67 -2.30 119.74 123.92 1ckv s LYS 80 Ca 0.09 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 1ckv s LYS 80 Cb -0.17 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1ckv s LYS 80 CO 0.11 0.43 0.08 0.00 -0.92 0.00 0.00 175.35 175.05 1ckv s ALA 81 N -0.27 0.10 -0.11 5.17 0.00 -0.64 -0.74 121.76 125.27 1ckv s ALA 81 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1ckv s ALA 81 Cb -0.13 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1ckv s ALA 81 CO 0.03 -0.41 0.01 0.54 0.00 0.00 0.00 175.76 175.93 1ckv s ASN 82 N -2.70 5.25 0.00 0.00 6.03 -1.26 -0.05 114.94 122.21 1ckv s ASN 82 Ca 0.03 0.11 0.00 0.00 -1.03 0.00 0.00 52.86 51.97 1ckv s ASN 82 Cb 0.05 -1.58 0.00 0.00 -3.03 0.00 0.00 41.25 36.68 1ckv s ASN 82 CO -0.09 0.33 0.00 0.61 -2.03 0.00 0.00 177.10 175.92 1ckv n GLY 83 N 2.47 2.20 0.00 0.45 0.00 -1.25 -4.80 105.19 104.26 1ckv n GLY 83 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.48 118.16 111.06 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 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 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 0.17 -0.04 0.58 -4.36 -0.39 -5.01 121.20 110.15 1ckv s ILE 85 Ca 0.00 -1.48 -0.01 0.00 -0.26 0.00 0.00 60.65 58.90 1ckv s ILE 85 Cb 0.00 -1.47 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1ckv s ILE 85 CO 0.00 -0.76 0.07 -1.83 0.24 0.00 0.00 174.94 172.65 1ckv s GLU 86 N -3.90 -0.03 -0.04 0.37 -1.05 -1.26 0.65 118.70 113.43 1ckv s GLU 86 Ca 0.07 0.32 -0.13 0.00 -0.15 0.00 0.00 54.97 55.08 1ckv s GLU 86 Cb 0.06 -0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.36 1ckv s GLU 86 CO -0.09 -0.24 0.35 0.08 0.95 0.00 0.00 175.26 176.31 1ckv s VAL 87 N 1.63 5.15 0.46 1.83 1.01 0.19 -4.89 120.40 125.78 1ckv s VAL 87 Ca -0.02 0.71 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 1ckv s VAL 87 Cb -0.12 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1ckv s VAL 87 CO -0.04 0.56 0.95 -1.81 0.00 0.00 0.00 175.10 174.76 1ckv s ASP 88 N -0.84 6.77 -0.40 3.32 1.01 -1.26 0.21 116.67 125.48 1ckv s ASP 88 Ca 0.22 1.59 -0.03 0.00 0.71 0.00 0.00 52.55 55.04 1ckv s ASP 88 Cb -0.15 -2.51 0.10 0.00 1.01 0.00 0.00 42.92 41.37 1ckv s ASP 88 CO 0.11 -0.46 0.19 0.00 0.21 0.00 0.00 175.17 175.22 1ckv n ASP 90 N 4.60 0.00 0.02 0.00 8.00 -1.26 -4.60 116.55 123.32 1ckv n ASP 90 Ca -0.03 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.46 1ckv n ASP 90 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ckv h GLU 91 N 0.00 -0.07 0.71 -1.24 5.08 -2.00 -2.55 114.58 114.51 1ckv h GLU 91 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ckv h GLU 91 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ckv h GLU 91 CO 0.00 -0.05 -0.41 0.97 -1.00 0.00 0.00 179.01 178.52 1ckv h ILE 92 N -0.16 0.16 -1.28 3.13 2.10 -1.87 -2.32 117.51 117.28 1ckv h ILE 92 Ca -0.01 0.00 0.38 0.00 1.08 0.00 0.00 64.86 66.31 1ckv h ILE 92 Cb 0.06 0.16 -0.09 0.00 -1.09 0.00 0.00 36.82 35.85 1ckv h ILE 92 CO 0.01 0.00 0.86 0.77 -1.08 0.00 0.00 178.15 178.71 1ckv h SER 93 N -1.05 0.22 -0.25 2.19 4.64 -1.89 1.52 113.55 118.94 1ckv h SER 93 Ca -0.09 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ckv h SER 93 Cb 0.84 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1ckv h SER 93 CO 0.11 -0.04 0.14 -0.33 -0.87 0.00 0.00 176.83 175.84 1ckv h GLU 94 N 0.15 0.34 0.00 4.77 4.39 -0.97 0.21 114.58 123.47 1ckv h GLU 94 Ca 0.71 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.37 1ckv h GLU 94 Cb 2.32 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.90 1ckv h GLU 94 CO -0.25 0.29 -0.86 -0.11 -1.16 0.00 0.00 179.01 176.92 1ckv n LEU 95 N -4.87 0.74 -1.22 1.33 7.94 0.13 -2.49 117.00 118.56 1ckv n LEU 95 Ca -0.03 0.23 0.11 0.00 -1.11 0.00 0.00 56.01 55.21 1ckv n LEU 95 Cb 0.06 -0.12 0.29 0.00 0.53 0.00 0.00 43.42 44.19 1ckv n LEU 95 CO 0.35 -0.09 0.75 0.18 -1.11 0.00 0.00 177.39 177.46 1ckv n LEU 96 N -2.32 3.55 0.00 -1.96 7.99 0.47 -4.85 117.00 119.89 1ckv n LEU 96 Ca 0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 56.01 54.26 1ckv n LEU 96 Cb 0.49 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1ckv n LEU 96 CO 0.39 0.88 0.00 0.61 -1.51 0.00 0.00 177.39 177.75 1ckv n GLY 97 N 1.56 0.28 2.42 -0.72 0.00 0.41 -4.89 105.19 104.24 1ckv n GLY 97 Ca 0.22 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.38 1.61 0.00 0.44 -0.91 116.66 116.42 1ckv n ARG 98 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1ckv n ARG 98 Cb 0.00 -0.74 -0.06 0.00 -0.00 0.00 0.00 32.46 31.66 1ckv n ARG 98 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1ckv n GLN 99 N 1.08 -1.28 0.00 2.89 7.27 -1.26 -4.97 117.38 121.10 1ckv n GLN 99 Ca 0.07 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.07 1ckv n GLN 99 Cb 0.33 -5.15 0.00 0.00 2.41 0.00 0.00 30.24 27.83 1ckv n GLN 99 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1ckv n PHE 100 N -2.43 -2.43 -4.46 3.69 3.01 -0.09 -5.07 117.46 109.68 1ckv n PHE 100 Ca -0.13 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.12 1ckv n PHE 100 Cb 0.52 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.83 1ckv n PHE 100 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1ckv s ASN 101 N -1.52 1.37 1.07 4.37 0.02 -1.26 -5.12 114.94 113.86 1ckv s ASN 101 Ca 0.00 -0.22 -0.18 0.00 -1.02 0.00 0.00 52.86 51.45 1ckv s ASN 101 Cb 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 41.25 40.94 1ckv s ASN 101 CO 0.00 0.07 -0.01 0.55 0.02 0.00 0.00 177.10 177.73 1ckv n VAL 102 N 3.33 0.00 -0.99 1.60 3.14 -1.26 -3.20 118.33 120.96 1ckv n VAL 102 Ca -0.19 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1ckv n VAL 102 Cb 0.54 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1ckv n VAL 102 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckv n TYR 103 N -4.11 0.00 0.10 1.45 9.36 -1.26 -4.87 117.16 117.82 1ckv n TYR 103 Ca 0.02 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.19 1ckv n TYR 103 Cb 0.61 -0.05 0.08 0.00 -0.63 0.00 0.00 39.34 39.35 1ckv n TYR 103 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1ckv h ASP 104 N 0.00 0.16 0.34 2.98 1.82 -1.97 0.44 116.42 120.19 1ckv h ASP 104 Ca 0.00 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 1ckv h ASP 104 Cb 0.01 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 1ckv h ASP 104 CO 0.00 0.82 -0.15 0.15 -1.61 0.00 0.00 179.24 178.45 1ckv h PHE 105 N 0.09 0.00 -0.04 0.28 3.04 -1.89 -2.86 116.94 115.56 1ckv h PHE 105 Ca -0.02 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.84 1ckv h PHE 105 Cb 1.26 0.00 -0.17 0.00 2.56 0.00 0.00 35.95 39.60 1ckv h PHE 105 CO 0.02 0.15 -0.72 -0.11 -2.02 0.00 0.00 178.31 175.62 1ckv n LEU 106 N -3.79 2.16 0.07 0.59 0.00 -1.12 -4.52 117.00 110.38 1ckv n LEU 106 Ca -0.02 -3.23 -0.15 0.00 0.00 0.00 0.00 56.01 52.60 1ckv n LEU 106 Cb 0.25 -0.31 -0.14 0.00 0.00 0.00 0.00 43.42 43.22 1ckv n LEU 106 CO 0.32 1.10 -0.22 1.62 0.00 0.00 0.00 177.39 180.20 1ckv h VAL 107 N 3.32 1.28 0.00 1.96 3.04 -0.66 -3.44 116.25 121.75 1ckv h VAL 107 Ca -0.07 -2.92 -0.02 0.00 -1.01 0.00 0.00 66.70 62.68 1ckv h VAL 107 Cb 1.35 2.80 -0.01 0.00 -2.01 0.00 0.00 31.29 33.42 1ckv h VAL 107 CO 0.07 0.83 -0.03 -0.90 -1.01 0.00 0.00 177.57 176.54 1ckv n ASP 108 N -3.44 -0.14 -4.47 3.17 5.68 -1.26 -5.07 116.55 111.01 1ckv n ASP 108 Ca -0.13 -1.08 -0.29 0.00 -0.50 0.00 0.00 54.79 52.79 1ckv n ASP 108 Cb 1.03 0.06 0.19 0.00 -1.14 0.00 0.00 41.12 41.26 1ckv n ASP 108 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1ckv s VAL 109 N 0.01 1.91 0.25 2.12 -7.23 -1.26 -4.92 120.40 111.27 1ckv s VAL 109 Ca 0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.15 1ckv s VAL 109 Cb 0.04 -2.54 0.23 0.00 0.56 0.00 0.00 36.38 34.67 1ckv s VAL 109 CO -0.01 0.00 1.72 -1.28 -0.31 0.00 0.00 175.10 175.21 1ckv h SER 110 N -2.02 0.23 0.00 4.85 0.87 -1.94 -3.46 113.55 112.08 1ckv h SER 110 Ca -0.52 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1ckv h SER 110 Cb 1.32 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1ckv h SER 110 CO 0.52 0.06 0.00 -1.20 -0.53 0.00 0.00 176.83 175.68 1ckv n SER 111 N -5.04 0.00 -3.27 6.23 7.64 -1.09 -5.03 113.62 113.05 1ckv n SER 111 Ca 0.15 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.07 1ckv n SER 111 Cb 0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1ckv n SER 111 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ckv s THR 112 N -2.00 -0.04 -0.25 0.44 -1.32 -1.26 0.37 115.64 111.58 1ckv s THR 112 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 1ckv s THR 112 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1ckv s THR 112 CO 0.00 0.00 0.50 -0.63 -2.21 0.00 0.00 174.62 172.28 1ckv s ILE 113 N 1.84 5.09 0.00 5.08 -1.09 0.24 -4.90 121.20 127.47 1ckv s ILE 113 Ca -0.01 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1ckv s ILE 113 Cb -0.01 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1ckv s ILE 113 CO -0.15 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 1ckv n GLY 114 N 4.29 4.52 3.66 6.18 0.00 -1.26 -2.22 105.19 120.36 1ckv n GLY 114 Ca -0.05 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1ckv n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ckv s ARG 115 N -3.43 4.25 -0.23 1.61 3.00 0.49 -4.77 118.95 119.87 1ckv s ARG 115 Ca 0.00 1.50 -0.10 0.00 -1.00 0.00 0.00 55.73 56.13 1ckv s ARG 115 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 34.95 31.21 1ckv s ARG 115 CO 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 175.30 174.78 1ckv s ALA 116 N 3.29 3.54 -0.06 6.12 0.00 -1.26 -0.05 121.76 133.33 1ckv s ALA 116 Ca 0.49 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1ckv s ALA 116 Cb -0.18 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.72 1ckv s ALA 116 CO 0.10 -0.17 0.00 1.52 0.00 0.00 0.00 175.76 177.22 1ckv s TYR 117 N 1.02 0.58 -0.05 0.00 -0.85 -0.56 -5.01 117.35 112.47 1ckv s TYR 117 Ca 0.07 -0.11 -0.02 0.00 -0.52 0.00 0.00 57.07 56.49 1ckv s TYR 117 Cb -0.14 -0.73 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 1ckv s TYR 117 CO 0.04 -0.29 0.05 -0.08 -1.52 0.00 0.00 175.55 173.75 1ckv s THR 118 N 1.85 4.64 -0.14 -3.49 -1.32 -1.26 -1.39 115.64 114.53 1ckv s THR 118 Ca 0.03 -0.27 -0.06 0.00 -1.21 0.00 0.00 61.69 60.18 1ckv s THR 118 Cb -0.12 -3.04 0.06 0.00 -1.51 0.00 0.00 72.50 67.89 1ckv s THR 118 CO -0.04 0.49 0.30 -1.48 -2.21 0.00 0.00 174.62 171.68 1ckv s LEU 119 N -1.29 -0.03 0.00 9.08 -0.00 -1.25 -5.00 118.68 120.19 1ckv s LEU 119 Ca 0.18 0.67 0.00 0.00 -0.00 0.00 0.00 54.13 54.98 1ckv s LEU 119 Cb -0.12 0.91 0.00 0.00 -0.00 0.00 0.00 46.19 46.99 1ckv s LEU 119 CO 0.08 -0.20 0.00 0.61 -0.00 0.00 0.00 176.35 176.83 1ckv n GLY 120 N 4.73 1.59 2.54 -3.48 0.00 -1.26 -3.62 105.19 105.69 1ckv n GLY 120 Ca -0.17 0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 2.64 0.00 1.61 2.47 -1.26 -4.99 114.94 111.41 1ckv s ASN 121 Ca 0.00 -2.93 0.00 0.00 0.42 0.00 0.00 52.86 50.35 1ckv s ASN 121 Cb 0.00 -0.72 0.00 0.00 -1.45 0.00 0.00 41.25 39.08 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 3.08 0.00 -3.14 0.43 5.02 -1.24 -4.27 118.16 118.04 1ckv n LYS 122 Ca 0.21 0.00 -0.39 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 3.52 -0.16 2.13 -0.71 0.13 -3.87 117.98 119.02 1ckv s PHE 123 Ca 0.00 1.08 -0.07 0.00 -1.04 0.00 0.00 56.93 56.90 1ckv s PHE 123 Cb 0.00 -2.72 -0.04 0.00 -1.21 0.00 0.00 43.02 39.05 1ckv s PHE 123 CO 0.00 0.07 0.07 0.99 -1.34 0.00 0.00 175.22 175.01 1ckv s THR 124 N 0.93 4.92 -0.22 -4.49 2.01 -0.49 0.56 115.64 118.87 1ckv s THR 124 Ca 0.32 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1ckv s THR 124 Cb -0.17 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.16 1ckv s THR 124 CO 0.14 0.50 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.85 1ckv s ILE 125 N 0.03 2.90 0.24 1.82 1.09 0.21 -1.50 121.20 125.99 1ckv s ILE 125 Ca 0.06 -0.75 -0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1ckv s ILE 125 Cb -0.12 -2.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 1ckv s ILE 125 CO 0.01 0.39 0.43 0.28 -0.10 0.00 0.00 174.94 175.95 1ckv s THR 126 N 1.39 5.18 -0.01 2.92 -1.32 0.92 -1.26 115.64 123.46 1ckv s THR 126 Ca 0.04 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 60.11 1ckv s THR 126 Cb -0.15 -3.77 0.01 0.00 -1.51 0.00 0.00 72.50 67.08 1ckv s THR 126 CO -0.06 -0.28 0.77 -1.54 -2.21 0.00 0.00 174.62 171.30 1ckv n SER 127 N -1.00 0.21 -0.01 8.08 3.41 -1.23 0.19 113.62 123.28 1ckv n SER 127 Ca -0.05 -1.59 0.01 0.00 -0.26 0.00 0.00 58.87 56.98 1ckv n SER 127 Cb 0.55 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.09 1.06 -0.44 4.33 1.02 -1.23 -4.15 120.64 121.14 1ckv n GLU 128 Ca 0.01 -0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 1ckv n GLU 128 Cb 0.58 -1.10 0.24 0.00 -0.02 0.00 0.00 31.44 31.13 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 -1.79 3.39 -1.54 -4.62 4.32 -1.26 -4.00 117.00 111.49 1ckv n LEU 129 Ca -0.02 -1.71 0.08 0.00 -0.02 0.00 0.00 56.01 54.34 1ckv n LEU 129 Cb 0.26 -0.50 0.34 0.00 -1.62 0.00 0.00 43.42 41.90 1ckv n LEU 129 CO 0.09 0.54 0.79 0.80 -1.22 0.00 0.00 177.39 178.39 1ckv n MET 130 N 0.58 3.70 0.00 3.23 1.56 -1.26 -4.54 117.12 120.38 1ckv n MET 130 Ca 0.17 -2.67 0.00 0.00 -0.27 0.00 0.00 57.70 54.92 1ckv n MET 130 Cb 0.67 -1.91 0.00 0.00 2.15 0.00 0.00 33.22 34.13 1ckv n MET 130 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ckv n GLY 131 N 1.00 0.22 2.82 -5.12 0.00 -1.26 -4.98 105.19 97.88 1ckv n GLY 131 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1ckv n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 132 N 0.00 4.12 -1.36 0.99 7.99 -1.26 -4.82 117.00 122.66 1ckv n LEU 132 Ca 0.00 -5.60 -0.10 0.00 -0.01 0.00 0.00 56.01 50.30 1ckv n LEU 132 Cb 0.00 -0.47 0.15 0.00 -0.11 0.00 0.00 43.42 42.99 1ckv n LEU 132 CO 0.00 2.32 0.59 0.47 -1.51 0.00 0.00 177.39 179.26 1ckv n ASP 133 N -0.07 3.29 0.01 -1.43 8.00 -1.26 -4.69 116.55 120.40 1ckv n ASP 133 Ca 0.30 -3.81 -0.12 0.00 0.71 0.00 0.00 54.79 51.87 1ckv n ASP 133 Cb 0.41 -0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1ckv n ASP 133 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1ckv h ARG 134 N 1.34 0.01 -0.01 -1.24 -0.00 -1.91 -3.21 114.38 109.36 1ckv h ARG 134 Ca 0.25 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.73 1ckv h ARG 134 Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.43 1ckv h ARG 134 CO 0.51 0.26 -0.72 0.36 0.00 0.00 0.00 179.97 180.38 1ckv n LYS 135 N -4.96 0.45 -2.07 0.04 2.85 -1.26 -5.07 118.16 108.14 1ckv n LYS 135 Ca -0.08 -0.36 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 1ckv n LYS 135 Cb 0.15 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 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 -0.96 -6.04 -0.10 -5.58 4.77 -1.22 -4.98 117.00 102.88 1ckv n LEU 136 Ca 0.06 3.09 -0.22 0.00 -0.03 0.00 0.00 56.01 58.92 1ckv n LEU 136 Cb 0.38 -3.10 -0.12 0.00 -2.33 0.00 0.00 43.42 38.25 1ckv n LEU 136 CO 0.36 -1.91 -1.18 -1.84 -1.33 0.00 0.00 177.39 171.49 1ckv n GLU 137 N 1.83 0.65 -3.37 3.23 0.28 -1.26 -4.93 120.64 117.07 1ckv n GLU 137 Ca 0.00 0.24 -0.11 0.00 -0.16 0.00 0.00 57.16 57.13 1ckv n GLU 137 Cb 0.00 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.21 1ckv n GLU 137 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ckv s ASP 138 N -6.88 0.49 -0.02 -1.84 1.11 -1.26 -5.00 116.67 103.27 1ckv s ASP 138 Ca -0.33 0.06 0.20 0.00 0.18 0.00 0.00 52.55 52.67 1ckv s ASP 138 Cb 0.09 0.98 0.35 0.00 1.07 0.00 0.00 42.92 45.42 1ckv s ASP 138 CO 0.61 -0.31 1.14 0.00 1.18 0.00 0.00 175.17 177.79 1ckv n TYR 139 N 5.35 0.00 -1.48 4.23 4.11 -1.26 -5.13 117.16 122.99 1ckv n TYR 139 Ca -0.03 -0.49 0.11 0.00 -0.00 0.00 0.00 57.90 57.48 1ckv n TYR 139 Cb 0.50 -0.14 -0.06 0.00 -0.00 0.00 0.00 39.34 39.64 1ckv n TYR 139 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1ckv n HIS 140 N 0.27 -4.00 -0.93 -3.48 -0.00 -1.26 -5.26 115.22 100.56 1ckv n HIS 140 Ca 0.06 2.20 0.00 0.00 0.46 0.00 0.00 57.72 60.44 1ckv n HIS 140 Cb 1.03 -3.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.37 1ckv n HIS 140 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80