#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckz s PHE 2 N 0.00 3.06 0.29 1.12 0.40 -1.26 -2.80 117.98 118.79 2ckz s PHE 2 Ca 0.00 0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.38 2ckz s PHE 2 Cb 0.00 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 41.00 2ckz s PHE 2 CO 0.00 -0.62 0.49 0.42 0.70 0.00 0.00 175.22 176.21 2ckz s ILE 3 N -2.67 0.00 -0.10 0.64 1.01 0.27 -4.93 121.20 115.42 2ckz s ILE 3 Ca 0.53 -1.45 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2ckz s ILE 3 Cb -0.10 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.97 2ckz s ILE 3 CO 0.38 0.00 -0.17 -0.76 0.00 0.00 0.00 174.94 174.39 2ckz s LEU 4 N -3.09 1.82 -0.17 2.97 1.43 -1.26 0.89 118.68 121.26 2ckz s LEU 4 Ca 0.25 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2ckz s LEU 4 Cb -0.01 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2ckz s LEU 4 CO 0.13 0.06 -0.15 -0.44 0.23 0.00 0.00 176.35 176.18 2ckz s SER 5 N 0.72 3.59 -0.34 2.29 0.01 -0.25 -4.92 113.70 114.81 2ckz s SER 5 Ca -0.12 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 2ckz s SER 5 Cb -0.16 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 2ckz s SER 5 CO 0.03 0.04 1.56 -0.75 0.41 0.00 0.00 173.24 174.53 2ckz s LYS 6 N 1.06 3.58 -0.03 12.44 2.20 -1.26 -2.34 119.74 135.39 2ckz s LYS 6 Ca -0.01 1.26 0.07 0.00 -0.36 0.00 0.00 55.97 56.93 2ckz s LYS 6 Cb -0.14 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.09 2ckz s LYS 6 CO -0.04 -1.56 -0.23 0.42 -0.36 0.00 0.00 175.35 173.58 2ckz s ILE 7 N 5.72 2.31 0.08 5.43 1.01 0.27 -4.94 121.20 131.08 2ckz s ILE 7 Ca 0.68 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 60.38 2ckz s ILE 7 Cb -0.19 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2ckz s ILE 7 CO 0.31 0.58 -0.06 0.00 0.00 0.00 0.00 174.94 175.78 2ckz s ALA 8 N -0.59 3.10 0.15 9.38 0.00 -1.26 -0.42 121.76 132.11 2ckz s ALA 8 Ca 0.09 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 2ckz s ALA 8 Cb -0.11 -1.05 0.08 0.00 0.00 0.00 0.00 23.12 22.04 2ckz s ALA 8 CO -0.00 0.66 1.05 0.34 0.00 0.00 0.00 175.76 177.81 2ckz s ASP 9 N -2.12 -0.07 -0.10 0.00 -1.08 -0.64 -5.01 116.67 107.66 2ckz s ASP 9 Ca 0.22 -0.50 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 2ckz s ASP 9 Cb -0.11 0.45 -0.03 0.00 -1.46 0.00 0.00 42.92 41.77 2ckz s ASP 9 CO 0.14 -0.86 -0.06 -0.22 0.52 0.00 0.00 175.17 174.69 2ckz s LEU 10 N -3.21 3.19 -0.18 -1.34 2.96 -1.26 -1.78 118.68 117.05 2ckz s LEU 10 Ca 0.18 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2ckz s LEU 10 Cb -0.01 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.96 2ckz s LEU 10 CO 0.03 0.30 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.54 2ckz s VAL 11 N -0.43 2.75 -0.30 1.68 1.01 0.24 -4.95 120.40 120.39 2ckz s VAL 11 Ca 0.07 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 2ckz s VAL 11 Cb -0.12 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2ckz s VAL 11 CO 0.02 0.49 0.54 -0.60 0.00 0.00 0.00 175.10 175.56 2ckz s ARG 12 N 1.14 3.89 -0.27 2.72 3.52 -1.26 -1.63 118.95 127.05 2ckz s ARG 12 Ca 0.01 0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.74 2ckz s ARG 12 Cb -0.14 -3.72 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 2ckz s ARG 12 CO -0.04 -0.50 0.00 0.42 -0.81 0.00 0.00 175.30 174.37 2ckz s ILE 13 N 2.42 3.36 1.23 4.11 1.01 -1.26 -4.97 121.20 127.10 2ckz s ILE 13 Ca 0.21 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 2ckz s ILE 13 Cb -0.15 -2.71 0.26 0.00 0.01 0.00 0.00 42.46 39.86 2ckz s ILE 13 CO 0.11 0.16 0.64 -0.81 0.00 0.00 0.00 174.94 175.03 2ckz n PRO 14 N 4.76 -2.89 0.07 2.79 -0.04 -1.26 -4.83 135.00 133.60 2ckz n PRO 14 Ca -0.16 -0.84 0.08 0.00 -0.04 0.00 0.00 63.50 62.55 2ckz n PRO 14 Cb 0.48 -1.90 0.38 0.00 -0.04 0.00 0.00 33.50 32.41 2ckz n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2ckz n PRO 15 N -4.09 0.09 -2.15 0.54 -0.04 -1.26 -4.04 135.00 124.05 2ckz n PRO 15 Ca 0.05 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 2ckz n PRO 15 Cb 0.55 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2ckz n PRO 15 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ckz n ASP 16 N -1.89 4.45 -1.36 3.54 8.00 -1.26 -4.63 116.55 123.40 2ckz n ASP 16 Ca 0.02 -2.91 -0.03 0.00 0.71 0.00 0.00 54.79 52.58 2ckz n ASP 16 Cb 0.15 -1.65 0.24 0.00 -0.02 0.00 0.00 41.12 39.84 2ckz n ASP 16 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2ckz n GLN 17 N 6.33 2.59 -0.07 -1.24 7.27 -1.26 -4.56 117.38 126.45 2ckz n GLN 17 Ca 0.48 -3.04 -0.10 0.00 0.07 0.00 0.00 57.00 54.40 2ckz n GLN 17 Cb 0.41 -1.94 -0.09 0.00 2.41 0.00 0.00 30.24 31.02 2ckz n GLN 17 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 2ckz h PHE 18 N 1.58 0.00 0.00 3.69 -1.00 -1.95 -3.43 116.94 115.82 2ckz h PHE 18 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2ckz h PHE 18 Cb 1.86 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.42 2ckz h PHE 18 CO 0.98 0.73 0.00 0.72 -1.61 0.00 0.00 178.31 179.13 2ckz n HIS 19 N -4.65 0.00 -4.26 -0.55 8.25 -1.26 -4.82 115.22 107.93 2ckz n HIS 19 Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.09 2ckz n HIS 19 Cb 0.36 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 2ckz n HIS 19 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2ckz s ARG 20 N 0.00 2.22 1.06 -0.41 0.52 -1.26 -5.12 118.95 115.95 2ckz s ARG 20 Ca 0.00 -2.09 -0.17 0.00 -0.52 0.00 0.00 55.73 52.95 2ckz s ARG 20 Cb 0.00 -1.87 0.07 0.00 0.52 0.00 0.00 34.95 33.68 2ckz s ARG 20 CO 0.00 -0.36 0.13 -0.25 0.02 0.00 0.00 175.30 174.84 2ckz n ASP 21 N -1.42 -2.32 0.00 0.23 8.00 -1.26 -4.69 116.55 115.09 2ckz n ASP 21 Ca -0.07 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2ckz n ASP 21 Cb 0.65 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2ckz n ASP 21 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ckz n THR 22 N -4.09 0.00 -0.46 -3.53 -1.04 -1.26 -2.41 114.28 101.49 2ckz n THR 22 Ca 0.03 1.31 0.39 0.00 -2.04 0.00 0.00 64.05 63.74 2ckz n THR 22 Cb 0.59 -2.18 0.67 0.00 -1.82 0.00 0.00 70.33 67.59 2ckz n THR 22 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2ckz h ILE 23 N 0.00 0.05 -0.15 12.58 2.04 -2.00 0.87 117.51 130.90 2ckz h ILE 23 Ca 0.00 -0.01 -0.22 0.00 1.00 0.00 0.00 64.86 65.63 2ckz h ILE 23 Cb 0.00 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.10 2ckz h ILE 23 CO 0.00 0.01 -0.75 -1.28 0.00 0.00 0.00 178.15 176.13 2ckz h SER 24 N 0.03 0.92 -0.55 1.72 0.87 -1.89 -2.84 113.55 111.82 2ckz h SER 24 Ca 0.86 -0.63 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2ckz h SER 24 Cb 2.74 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 64.41 2ckz h SER 24 CO -0.45 1.40 0.21 0.00 -0.53 0.00 0.00 176.83 177.46 2ckz h ALA 25 N 0.54 0.71 -0.17 6.23 0.00 -0.49 -2.26 119.26 123.83 2ckz h ALA 25 Ca -0.05 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2ckz h ALA 25 Cb 1.38 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2ckz h ALA 25 CO 0.16 0.33 -0.51 0.82 0.00 0.00 0.00 179.25 180.04 2ckz h ILE 26 N 0.75 0.04 -0.68 0.00 2.04 -1.34 0.32 117.51 118.63 2ckz h ILE 26 Ca 0.18 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.24 2ckz h ILE 26 Cb 0.21 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2ckz h ILE 26 CO -0.01 0.00 0.57 0.74 0.00 0.00 0.00 178.15 179.44 2ckz h THR 27 N -0.54 0.47 -0.07 -0.27 2.02 -1.24 0.27 112.91 113.54 2ckz h THR 27 Ca 0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 2ckz h THR 27 Cb 0.66 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2ckz h THR 27 CO -0.45 0.00 -0.12 -0.74 0.37 0.00 0.00 175.52 174.58 2ckz h HIS 28 N 0.00 0.27 -0.47 3.16 -0.00 0.16 -2.02 115.15 116.24 2ckz h HIS 28 Ca 0.32 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 2ckz h HIS 28 Cb 1.46 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.79 2ckz h HIS 28 CO 0.00 0.71 0.21 1.96 -0.00 0.00 0.00 177.93 180.80 2ckz h GLN 29 N -0.25 0.67 -0.47 5.26 1.08 0.79 -2.32 115.11 119.86 2ckz h GLN 29 Ca 0.01 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 2ckz h GLN 29 Cb 0.68 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2ckz h GLN 29 CO 0.03 0.54 0.00 -0.07 -0.95 0.00 0.00 178.83 178.38 2ckz h LEU 30 N 0.67 0.82 -1.22 1.46 3.38 -0.76 -2.64 115.31 117.02 2ckz h LEU 30 Ca 0.17 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2ckz h LEU 30 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ckz h LEU 30 CO -0.02 0.92 -0.38 0.78 0.09 0.00 0.00 178.44 179.83 2ckz h ASN 31 N 0.69 0.00 0.47 -0.43 4.21 -1.10 -0.52 115.58 118.91 2ckz h ASN 31 Ca 0.13 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 2ckz h ASN 31 Cb 0.50 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 2ckz h ASN 31 CO 0.02 0.38 -0.31 0.78 -1.29 0.00 0.00 177.43 177.01 2ckz h ASN 32 N 0.00 -0.80 1.28 5.81 2.35 -1.07 1.06 115.58 124.21 2ckz h ASN 32 Ca -0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2ckz h ASN 32 Cb 0.71 0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2ckz h ASN 32 CO 0.05 -0.48 0.00 0.11 -1.65 0.00 0.00 177.43 175.46 2ckz h LYS 33 N -0.76 0.00 0.00 0.81 1.57 -1.36 -3.37 116.57 113.46 2ckz h LYS 33 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2ckz h LYS 33 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2ckz h LYS 33 CO 0.04 0.00 -0.70 1.19 -0.57 0.00 0.00 179.45 179.41 2ckz n PHE 34 N -2.48 0.00 -1.59 -1.35 3.01 -0.21 -4.83 117.46 110.00 2ckz n PHE 34 Ca 0.04 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.05 2ckz n PHE 34 Cb 0.37 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.80 2ckz n PHE 34 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ckz n ALA 35 N -1.15 1.47 -2.33 4.37 0.00 0.36 -1.17 120.51 122.06 2ckz n ALA 35 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 2ckz n ALA 35 Cb 0.07 -2.74 -0.01 0.00 0.00 0.00 0.00 19.45 16.77 2ckz n ALA 35 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ckz n ASN 36 N 9.85 -5.16 -4.24 0.00 5.15 -0.99 -4.94 115.26 114.92 2ckz n ASN 36 Ca 0.29 -0.01 -0.32 0.00 -0.60 0.00 0.00 54.58 53.94 2ckz n ASN 36 Cb 0.38 -4.24 -0.17 0.00 -0.53 0.00 0.00 39.78 35.22 2ckz n ASN 36 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2ckz s LYS 37 N -4.87 2.88 0.58 1.20 1.02 -0.32 -4.98 119.74 115.26 2ckz s LYS 37 Ca 0.00 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 54.92 2ckz s LYS 37 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2ckz s LYS 37 CO 0.00 0.25 1.16 0.42 -0.92 0.00 0.00 175.35 176.26 2ckz s ILE 38 N 0.16 2.94 -0.21 2.17 1.01 -1.26 -3.48 121.20 122.53 2ckz s ILE 38 Ca -0.13 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 2ckz s ILE 38 Cb -0.16 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2ckz s ILE 38 CO 0.07 -0.15 -0.05 -0.63 0.00 0.00 0.00 174.94 174.18 2ckz s ILE 39 N -1.78 3.41 0.00 2.92 1.01 -0.03 -4.92 121.20 121.81 2ckz s ILE 39 Ca 0.74 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2ckz s ILE 39 Cb -0.26 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2ckz s ILE 39 CO 0.32 0.44 0.00 -2.65 0.00 0.00 0.00 174.94 173.04 2ckz n PRO 40 N 4.55 0.00 -1.98 2.79 -0.02 -1.26 -1.40 135.00 137.68 2ckz n PRO 40 Ca -0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.02 2ckz n PRO 40 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.02 2ckz n PRO 40 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2ckz n ASN 41 N -0.01 5.61 0.00 2.55 3.02 -1.26 -4.77 115.26 120.39 2ckz n ASN 41 Ca 0.00 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 2ckz n ASN 41 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2ckz n ASN 41 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2ckz n VAL 42 N -0.69 0.00 -2.53 2.41 0.31 -0.49 -5.16 118.33 112.18 2ckz n VAL 42 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2ckz n VAL 42 Cb 0.79 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 2ckz n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckz n GLY 43 N 3.20 -0.54 3.52 2.92 0.00 -1.18 -4.92 105.19 108.19 2ckz n GLY 43 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2ckz n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ckz s LEU 44 N 0.00 4.56 0.27 0.99 2.96 -0.47 -0.85 118.68 126.15 2ckz s LEU 44 Ca 0.00 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 2ckz s LEU 44 Cb 0.00 -2.58 -0.09 0.00 0.50 0.00 0.00 46.19 44.02 2ckz s LEU 44 CO 0.00 -0.62 1.00 0.00 -1.32 0.00 0.00 176.35 175.41 2ckz n ILE 46 N 1.21 1.29 -3.91 0.00 5.41 0.78 -2.36 119.36 121.79 2ckz n ILE 46 Ca -0.01 -0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.65 2ckz n ILE 46 Cb 0.47 -1.98 -0.05 0.00 -0.71 0.00 0.00 39.64 37.37 2ckz n ILE 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2ckz s THR 47 N -2.53 0.02 -0.09 1.39 2.01 -1.21 -3.49 115.64 111.73 2ckz s THR 47 Ca -0.24 -1.19 -0.27 0.00 0.31 0.00 0.00 61.69 60.30 2ckz s THR 47 Cb 0.06 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2ckz s THR 47 CO 0.33 -0.07 0.87 -0.63 -0.69 0.00 0.00 174.62 174.43 2ckz s ILE 48 N -3.96 4.90 -0.01 1.82 1.09 -1.26 -0.78 121.20 123.00 2ckz s ILE 48 Ca 0.17 1.77 -0.02 0.00 -1.10 0.00 0.00 60.65 61.47 2ckz s ILE 48 Cb -0.01 -4.19 -0.01 0.00 -1.06 0.00 0.00 42.46 37.19 2ckz s ILE 48 CO 0.04 0.11 0.27 0.22 -0.10 0.00 0.00 174.94 175.48 2ckz h TYR 49 N 7.02 -0.06 -2.52 3.97 3.20 -1.75 -3.46 116.97 123.36 2ckz h TYR 49 Ca -0.35 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.42 2ckz h TYR 49 Cb 1.17 0.02 -0.21 0.00 1.54 0.00 0.00 36.73 39.25 2ckz h TYR 49 CO 0.69 -0.04 -0.08 0.16 -1.64 0.00 0.00 178.16 177.25 2ckz s ASP 50 N -3.27 -0.47 0.01 -2.11 -4.77 -1.16 -5.06 116.67 99.84 2ckz s ASP 50 Ca -0.01 0.69 -0.26 0.00 -3.30 0.00 0.00 52.55 49.66 2ckz s ASP 50 Cb 0.00 0.71 -0.04 0.00 -1.09 0.00 0.00 42.92 42.50 2ckz s ASP 50 CO 0.03 -0.37 0.82 -0.76 0.70 0.00 0.00 175.17 175.59 2ckz s LEU 51 N -0.56 4.40 -0.18 2.11 1.43 -1.26 -2.78 118.68 121.84 2ckz s LEU 51 Ca -0.07 1.46 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2ckz s LEU 51 Cb -0.03 -3.30 -0.15 0.00 0.03 0.00 0.00 46.19 42.74 2ckz s LEU 51 CO 0.04 -0.09 0.17 -0.07 0.23 0.00 0.00 176.35 176.63 2ckz h LEU 52 N 6.23 0.00 -8.54 1.79 3.38 0.03 -3.48 115.31 114.72 2ckz h LEU 52 Ca -0.42 -0.41 -0.57 0.00 0.09 0.00 0.00 57.88 56.56 2ckz h LEU 52 Cb 1.21 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.70 2ckz h LEU 52 CO 0.73 1.19 -0.84 -0.89 0.09 0.00 0.00 178.44 178.72 2ckz s THR 53 N -2.27 1.64 -0.10 0.22 2.01 0.11 -4.98 115.64 112.27 2ckz s THR 53 Ca -0.22 -1.20 -0.05 0.00 0.31 0.00 0.00 61.69 60.53 2ckz s THR 53 Cb 0.03 -1.43 0.05 0.00 0.01 0.00 0.00 72.50 71.16 2ckz s THR 53 CO 0.48 0.18 0.23 -0.69 -0.69 0.00 0.00 174.62 174.13 2ckz s VAL 54 N -0.82 -0.09 0.01 3.82 1.01 -1.26 -1.68 120.40 121.39 2ckz s VAL 54 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2ckz s VAL 54 Cb -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2ckz s VAL 54 CO 0.02 0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.57 2ckz n GLU 55 N 4.39 1.63 -1.83 2.72 1.02 -1.25 -5.06 120.64 122.25 2ckz n GLU 55 Ca -0.23 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.56 2ckz n GLU 55 Cb 0.52 0.01 0.02 0.00 -0.02 0.00 0.00 31.44 31.97 2ckz n GLU 55 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2ckz s GLU 56 N -2.03 3.40 0.47 3.49 2.02 -1.26 -4.74 118.70 120.05 2ckz s GLU 56 Ca 0.00 0.74 0.08 0.00 0.02 0.00 0.00 54.97 55.81 2ckz s GLU 56 Cb -0.00 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.20 2ckz s GLU 56 CO 0.00 -0.71 0.57 0.20 0.02 0.00 0.00 175.26 175.34 2ckz s GLY 57 N -4.15 1.98 0.00 -1.39 0.00 -1.26 -4.56 107.32 97.94 2ckz s GLY 57 Ca 0.56 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2ckz s GLY 57 CO 0.54 -1.64 0.00 -1.06 0.00 0.00 0.00 173.10 170.94 2ckz n GLN 58 N -1.88 2.53 -0.03 2.90 3.00 -1.26 -5.02 117.38 117.62 2ckz n GLN 58 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2ckz n GLN 58 Cb 0.61 -0.74 0.00 0.00 0.00 0.00 0.00 30.24 30.11 2ckz n GLN 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2ckz n TYR 67 N -0.97 -0.08 -4.77 1.08 4.02 -1.26 -5.25 117.16 109.93 2ckz n TYR 67 Ca 0.00 0.04 -0.24 0.00 -0.01 0.00 0.00 57.90 57.69 2ckz n TYR 67 Cb 0.12 -1.29 -0.15 0.00 -0.02 0.00 0.00 39.34 37.99 2ckz n TYR 67 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2ckz s ILE 68 N -1.51 1.29 -0.87 -0.72 1.01 -0.65 -4.93 121.20 114.82 2ckz s ILE 68 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2ckz s ILE 68 Cb 0.00 -1.08 0.09 0.00 0.01 0.00 0.00 42.46 41.48 2ckz s ILE 68 CO 0.00 0.37 1.17 0.20 0.00 0.00 0.00 174.94 176.68 2ckz s ASN 69 N -0.28 6.46 0.21 3.58 0.01 -1.26 -0.59 114.94 123.07 2ckz s ASN 69 Ca 0.04 -1.55 -0.14 0.00 -0.71 0.00 0.00 52.86 50.50 2ckz s ASN 69 Cb -0.07 -2.45 -0.08 0.00 0.41 0.00 0.00 41.25 39.06 2ckz s ASN 69 CO -0.00 -1.31 0.61 -0.69 -1.51 0.00 0.00 177.10 174.20 2ckz s VAL 70 N 3.74 4.79 -0.27 1.60 1.01 -0.73 -3.92 120.40 126.62 2ckz s VAL 70 Ca 0.33 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 2ckz s VAL 70 Cb -0.07 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.69 2ckz s VAL 70 CO -0.03 0.09 0.08 -0.89 0.00 0.00 0.00 175.10 174.35 2ckz s THR 71 N -1.65 0.67 0.00 3.92 2.01 -0.67 -1.62 115.64 118.29 2ckz s THR 71 Ca 0.44 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2ckz s THR 71 Cb -0.14 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2ckz s THR 71 CO 0.20 -0.54 0.00 2.22 -0.69 0.00 0.00 174.62 175.80 2ckz n PHE 72 N 4.95 0.00 -3.44 4.92 1.16 0.45 0.74 117.46 126.23 2ckz n PHE 72 Ca -0.05 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.54 2ckz n PHE 72 Cb 0.43 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.27 2ckz n PHE 72 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2ckz s ARG 73 N 1.44 0.38 0.24 3.97 1.70 -1.12 -0.56 118.95 124.99 2ckz s ARG 73 Ca 0.00 0.92 0.06 0.00 -0.47 0.00 0.00 55.73 56.24 2ckz s ARG 73 Cb 0.00 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.90 2ckz s ARG 73 CO 0.00 -0.15 0.23 0.00 -1.08 0.00 0.00 175.30 174.30 2ckz s ALA 74 N 2.61 3.68 -0.13 7.88 0.00 -0.99 -2.23 121.76 132.58 2ckz s ALA 74 Ca -0.02 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 2ckz s ALA 74 Cb -0.08 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2ckz s ALA 74 CO -0.18 0.28 0.97 0.08 0.00 0.00 0.00 175.76 176.92 2ckz s VAL 75 N -2.05 4.79 0.01 0.00 1.01 0.04 -1.09 120.40 123.12 2ckz s VAL 75 Ca 0.33 1.96 0.07 0.00 0.00 0.00 0.00 61.98 64.34 2ckz s VAL 75 Cb -0.08 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 2ckz s VAL 75 CO 0.26 -0.01 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 2ckz s VAL 76 N 2.14 1.69 -0.07 2.92 1.01 0.26 -0.15 120.40 128.19 2ckz s VAL 76 Ca 0.46 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 2ckz s VAL 76 Cb -0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2ckz s VAL 76 CO 0.16 0.35 0.79 0.12 0.00 0.00 0.00 175.10 176.52 2ckz s PHE 77 N -0.64 3.57 -0.44 5.22 5.36 0.73 -0.57 117.98 131.22 2ckz s PHE 77 Ca 0.08 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.43 2ckz s PHE 77 Cb -0.08 -2.92 0.23 0.00 -0.34 0.00 0.00 43.02 39.91 2ckz s PHE 77 CO 0.00 0.00 0.97 1.17 -1.46 0.00 0.00 175.22 175.91 2ckz n LYS 78 N 4.08 0.45 -1.48 10.12 4.81 -1.12 -1.36 118.16 133.65 2ckz n LYS 78 Ca 0.02 -1.41 -0.44 0.00 -0.87 0.00 0.00 58.31 55.61 2ckz n LYS 78 Cb 0.51 -0.91 -0.01 0.00 0.02 0.00 0.00 35.03 34.64 2ckz n LYS 78 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2ckz n PRO 79 N 2.09 0.70 -2.90 1.64 -0.02 -1.24 -4.76 135.00 130.52 2ckz n PRO 79 Ca 0.10 0.25 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 2ckz n PRO 79 Cb 0.63 -1.51 0.02 0.00 -0.02 0.00 0.00 33.50 32.62 2ckz n PRO 79 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2ckz s PHE 80 N -1.26 3.15 -0.32 6.00 -0.12 -1.26 -5.01 117.98 119.16 2ckz s PHE 80 Ca 0.62 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 57.40 2ckz s PHE 80 Cb -0.69 -2.41 -0.01 0.00 -0.63 0.00 0.00 43.02 39.27 2ckz s PHE 80 CO 0.58 -0.47 1.70 -0.51 -0.05 0.00 0.00 175.22 176.47 2ckz s LEU 81 N -4.61 3.59 0.00 -1.99 1.43 -1.26 -2.65 118.68 113.20 2ckz s LEU 81 Ca 0.50 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2ckz s LEU 81 Cb -0.10 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2ckz s LEU 81 CO 0.38 -1.57 0.00 0.61 0.23 0.00 0.00 176.35 176.00 2ckz n GLY 82 N 5.22 2.44 3.06 -3.19 0.00 -1.07 -5.08 105.19 106.57 2ckz n GLY 82 Ca 0.21 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2ckz n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckz n GLU 83 N 0.00 0.00 -3.77 1.61 2.13 -1.08 -4.53 120.64 114.99 2ckz n GLU 83 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2ckz n GLU 83 Cb 0.00 -0.96 -0.12 0.00 0.27 0.00 0.00 31.44 30.63 2ckz n GLU 83 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ckz s ILE 84 N -1.91 3.49 0.20 6.31 1.01 -1.26 -2.04 121.20 126.99 2ckz s ILE 84 Ca 0.52 -1.57 0.04 0.00 0.00 0.00 0.00 60.65 59.63 2ckz s ILE 84 Cb -0.42 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2ckz s ILE 84 CO 0.66 -0.40 0.31 -0.69 0.00 0.00 0.00 174.94 174.82 2ckz s VAL 85 N 1.28 5.20 -0.01 2.92 1.01 -0.85 -4.98 120.40 124.96 2ckz s VAL 85 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2ckz s VAL 85 Cb -0.21 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ckz s VAL 85 CO -0.01 -0.22 -0.09 -0.89 0.00 0.00 0.00 175.10 173.89 2ckz s THR 86 N -1.88 0.76 0.00 3.92 2.01 -1.26 -1.96 115.64 117.23 2ckz s THR 86 Ca 0.34 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2ckz s THR 86 Cb -0.10 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2ckz s THR 86 CO 0.28 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 2ckz n GLY 87 N 3.02 3.12 3.34 4.40 0.00 -0.70 -4.89 105.19 113.49 2ckz n GLY 87 Ca -0.15 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 2ckz n GLY 87 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ckz s TRP 88 N -3.02 2.37 -0.36 1.61 0.51 0.31 -0.72 118.94 119.64 2ckz s TRP 88 Ca 0.00 -0.40 -0.28 0.00 -2.12 0.00 0.00 56.10 53.30 2ckz s TRP 88 Cb 0.00 -1.47 -0.01 0.00 -0.81 0.00 0.00 33.47 31.17 2ckz s TRP 88 CO 0.00 0.05 1.71 0.42 -0.51 0.00 0.00 176.95 178.62 2ckz s ILE 89 N -0.70 3.57 -0.01 2.03 1.01 -0.33 0.39 121.20 127.16 2ckz s ILE 89 Ca 0.11 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 2ckz s ILE 89 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2ckz s ILE 89 CO 0.00 -0.51 0.50 -1.28 0.00 0.00 0.00 174.94 173.66 2ckz h SER 90 N 12.43 -0.12 -4.32 3.58 0.87 -0.99 0.29 113.55 125.29 2ckz h SER 90 Ca -0.32 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.70 2ckz h SER 90 Cb 1.15 0.03 -0.29 0.00 -0.44 0.00 0.00 62.40 62.85 2ckz h SER 90 CO 1.05 -0.02 -0.83 -0.75 -0.53 0.00 0.00 176.83 175.75 2ckz s LYS 91 N -2.26 1.40 -0.56 2.24 2.20 -1.22 -4.64 119.74 116.90 2ckz s LYS 91 Ca -0.02 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.92 2ckz s LYS 91 Cb 0.00 -1.36 0.15 0.00 -1.51 0.00 0.00 37.83 35.11 2ckz s LYS 91 CO 0.06 0.37 0.39 0.00 -0.36 0.00 0.00 175.35 175.81 2ckz s THR 93 N 0.47 5.03 -2.00 0.00 2.01 -1.16 -4.67 115.64 115.32 2ckz s THR 93 Ca 0.13 -0.88 0.13 0.00 0.31 0.00 0.00 61.69 61.38 2ckz s THR 93 Cb -0.21 -3.62 0.38 0.00 0.01 0.00 0.00 72.50 69.06 2ckz s THR 93 CO -0.04 -0.15 1.34 0.00 -0.69 0.00 0.00 174.62 175.09 2ckz n ALA 94 N -0.65 2.34 0.17 7.40 0.00 -1.26 -2.38 120.51 126.13 2ckz n ALA 94 Ca -0.08 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2ckz n ALA 94 Cb 0.55 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 2ckz n ALA 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ckz n GLU 95 N -0.78 0.54 -3.88 0.00 4.71 -1.26 -4.92 120.64 115.06 2ckz n GLU 95 Ca 0.10 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2ckz n GLU 95 Cb 0.05 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 2ckz n GLU 95 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ckz n GLY 96 N 1.29 -0.78 3.33 0.62 0.00 -1.00 -3.68 105.19 104.97 2ckz n GLY 96 Ca -0.02 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2ckz n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ckz s ILE 97 N -3.00 2.33 -0.10 -0.61 1.01 0.67 -2.96 121.20 118.53 2ckz s ILE 97 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 2ckz s ILE 97 Cb 0.00 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2ckz s ILE 97 CO 0.00 0.58 0.23 -0.75 0.00 0.00 0.00 174.94 174.99 2ckz s LYS 98 N -0.40 3.72 0.03 2.79 2.20 -0.39 0.75 119.74 128.44 2ckz s LYS 98 Ca 0.04 0.04 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 2ckz s LYS 98 Cb -0.12 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2ckz s LYS 98 CO 0.02 0.66 -0.15 0.54 -0.36 0.00 0.00 175.35 176.05 2ckz s VAL 99 N -0.77 1.23 0.02 4.02 0.11 0.08 -0.35 120.40 124.75 2ckz s VAL 99 Ca 0.17 -0.98 0.04 0.00 -2.93 0.00 0.00 61.98 58.28 2ckz s VAL 99 Cb -0.13 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 2ckz s VAL 99 CO 0.06 0.09 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.24 2ckz s SER 100 N -1.02 1.57 -0.78 3.54 0.15 0.16 -3.71 113.70 113.62 2ckz s SER 100 Ca 0.03 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.32 2ckz s SER 100 Cb -0.08 -0.12 0.33 0.00 -1.71 0.00 0.00 66.02 64.44 2ckz s SER 100 CO 0.01 0.06 1.34 0.18 1.20 0.00 0.00 173.24 176.03 2ckz n LEU 101 N 2.16 5.77 -0.48 3.45 4.77 -0.60 -0.53 117.00 131.54 2ckz n LEU 101 Ca -0.17 -5.55 0.06 0.00 -0.03 0.00 0.00 56.01 50.32 2ckz n LEU 101 Cb 0.55 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2ckz n LEU 101 CO 0.23 2.21 -0.09 0.18 -1.33 0.00 0.00 177.39 178.60 2ckz n LEU 102 N -0.14 -0.22 0.00 2.23 4.77 -1.26 -3.03 117.00 119.34 2ckz n LEU 102 Ca 0.38 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 2ckz n LEU 102 Cb 0.33 -1.77 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 2ckz n LEU 102 CO 0.42 -1.18 0.00 0.61 -1.33 0.00 0.00 177.39 175.91 2ckz n GLY 103 N -1.76 0.00 0.29 -0.72 0.00 -1.26 -2.22 105.19 99.52 2ckz n GLY 103 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ckz n GLY 103 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ckz h ILE 104 N 0.00 0.00 -3.54 -0.61 2.04 -1.99 -3.45 117.51 109.96 2ckz h ILE 104 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 2ckz h ILE 104 Cb 0.00 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 35.85 2ckz h ILE 104 CO 0.00 0.00 -0.55 0.12 0.00 0.00 0.00 178.15 177.72 2ckz s PHE 105 N -4.64 -0.00 0.00 1.37 5.36 -0.94 -5.03 117.98 114.10 2ckz s PHE 105 Ca -0.09 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2ckz s PHE 105 Cb 0.04 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 2ckz s PHE 105 CO 0.37 -0.18 0.00 -0.25 -1.46 0.00 0.00 175.22 173.70 2ckz n ASP 106 N 2.14 3.38 -2.99 6.13 8.00 -1.26 -1.56 116.55 130.38 2ckz n ASP 106 Ca -0.18 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 2ckz n ASP 106 Cb 0.57 0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 42.25 2ckz n ASP 106 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ckz n ASP 107 N -1.08 7.27 -4.03 -2.24 8.00 -1.26 -4.50 116.55 118.72 2ckz n ASP 107 Ca 0.00 -2.49 -0.31 0.00 0.71 0.00 0.00 54.79 52.70 2ckz n ASP 107 Cb 0.04 -1.43 -0.16 0.00 -0.02 0.00 0.00 41.12 39.55 2ckz n ASP 107 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ckz s ILE 108 N 2.11 1.71 0.07 0.53 1.01 -1.24 -1.05 121.20 124.33 2ckz s ILE 108 Ca 0.63 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.53 2ckz s ILE 108 Cb 0.20 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2ckz s ILE 108 CO -0.04 0.37 -0.21 0.12 0.00 0.00 0.00 174.94 175.18 2ckz s PHE 109 N 1.41 2.48 -0.34 3.97 5.36 0.18 -0.74 117.98 130.29 2ckz s PHE 109 Ca 0.03 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2ckz s PHE 109 Cb -0.14 -1.40 0.11 0.00 -0.34 0.00 0.00 43.02 41.24 2ckz s PHE 109 CO -0.10 0.27 0.11 0.42 -1.46 0.00 0.00 175.22 174.46 2ckz s ILE 110 N -0.96 1.38 0.65 3.12 1.01 0.23 0.85 121.20 127.48 2ckz s ILE 110 Ca 0.15 -1.89 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 2ckz s ILE 110 Cb -0.10 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2ckz s ILE 110 CO 0.06 -0.70 1.05 -2.16 0.00 0.00 0.00 174.94 173.19 2ckz s PRO 111 N 1.17 3.32 0.52 2.79 0.04 -1.26 0.24 135.00 141.83 2ckz s PRO 111 Ca 0.12 0.76 0.35 0.00 0.04 0.00 0.00 61.00 62.27 2ckz s PRO 111 Cb -0.19 -2.05 1.89 0.00 0.04 0.00 0.00 34.50 34.19 2ckz s PRO 111 CO -0.16 -0.77 2.08 0.37 0.04 0.00 0.00 177.00 178.56 2ckz h GLN 112 N -0.47 0.00 -0.15 4.56 5.75 -1.93 0.26 115.11 123.13 2ckz h GLN 112 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2ckz h GLN 112 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2ckz h GLN 112 CO 0.61 0.00 0.00 0.27 -2.65 0.00 0.00 178.83 177.06 2ckz n ASN 113 N -2.75 0.98 -0.32 -0.69 2.04 -1.26 -3.42 115.26 109.84 2ckz n ASN 113 Ca -0.02 -1.81 0.05 0.00 -0.44 0.00 0.00 54.58 52.36 2ckz n ASN 113 Cb 0.07 -0.10 0.07 0.00 -2.53 0.00 0.00 39.78 37.30 2ckz n ASN 113 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 2ckz n MET 114 N -0.05 0.66 -4.12 -3.83 2.81 0.91 -5.04 117.12 108.46 2ckz n MET 114 Ca 0.10 -1.84 -0.28 0.00 -1.81 0.00 0.00 57.70 53.87 2ckz n MET 114 Cb 0.18 -1.00 -0.03 0.00 -0.71 0.00 0.00 33.22 31.66 2ckz n MET 114 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2ckz s LEU 115 N -1.47 2.66 0.73 4.03 1.43 -1.22 -0.18 118.68 124.65 2ckz s LEU 115 Ca 0.17 -1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 51.82 2ckz s LEU 115 Cb 0.15 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.29 2ckz s LEU 115 CO 0.01 -0.97 1.13 -0.36 0.23 0.00 0.00 176.35 176.39 2ckz s PHE 116 N -2.77 2.38 0.66 0.29 0.40 -1.14 -4.71 117.98 113.09 2ckz s PHE 116 Ca 0.28 1.59 -0.17 0.00 -0.60 0.00 0.00 56.93 58.03 2ckz s PHE 116 Cb -0.01 -3.22 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 2ckz s PHE 116 CO 0.17 -2.03 1.05 0.39 0.70 0.00 0.00 175.22 175.51 2ckz n GLU 117 N -2.91 0.79 0.00 0.44 1.02 -1.26 -2.60 120.64 116.12 2ckz n GLU 117 Ca 0.11 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2ckz n GLU 117 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2ckz n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ckz n GLY 118 N 1.12 3.17 3.76 0.62 0.00 -1.26 -4.71 105.19 107.88 2ckz n GLY 118 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2ckz n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckz n TYR 120 N 0.11 -1.35 -5.05 0.00 0.18 -0.47 -4.96 117.16 105.63 2ckz n TYR 120 Ca 0.03 -1.89 -0.32 0.00 1.88 0.00 0.00 57.90 57.60 2ckz n TYR 120 Cb 0.40 0.48 -0.15 0.00 -0.38 0.00 0.00 39.34 39.69 2ckz n TYR 120 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2ckz s TYR 121 N -3.31 2.58 -0.29 -3.48 5.04 -1.26 -0.28 117.35 116.34 2ckz s TYR 121 Ca 0.23 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.48 2ckz s TYR 121 Cb -0.01 -1.62 0.08 0.00 0.35 0.00 0.00 41.96 40.76 2ckz s TYR 121 CO 0.16 -0.00 -0.01 -0.08 -1.34 0.00 0.00 175.55 174.28 2ckz s THR 122 N -0.44 1.98 0.51 4.34 -1.32 -0.88 -4.98 115.64 114.85 2ckz s THR 122 Ca 0.05 -1.84 0.39 0.00 -1.21 0.00 0.00 61.69 59.08 2ckz s THR 122 Cb -0.12 -2.31 0.41 0.00 -1.51 0.00 0.00 72.50 68.98 2ckz s THR 122 CO 0.02 -0.34 2.25 1.55 -2.21 0.00 0.00 174.62 175.88 2ckz h PRO 123 N 7.77 0.00 0.00 7.08 0.13 -1.97 -2.80 132.00 142.21 2ckz h PRO 123 Ca -0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2ckz h PRO 123 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2ckz h PRO 123 CO 0.48 0.01 -0.56 1.05 -0.23 0.00 0.00 178.00 178.75 2ckz h GLU 124 N 0.00 0.00 -0.22 0.86 4.11 -1.95 -3.23 114.58 114.15 2ckz h GLU 124 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ckz h GLU 124 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ckz h GLU 124 CO 0.00 0.56 -0.00 0.39 0.07 0.00 0.00 179.01 180.03 2ckz n GLU 125 N -3.36 2.64 -3.00 1.06 1.02 -1.13 -4.98 120.64 112.89 2ckz n GLU 125 Ca 0.01 -2.81 -0.21 0.00 -0.02 0.00 0.00 57.16 54.13 2ckz n GLU 125 Cb 0.70 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 2ckz n GLU 125 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ckz n SER 126 N -0.67 -0.98 -4.12 1.62 3.41 -1.07 -4.86 113.62 106.93 2ckz n SER 126 Ca 0.21 -0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 58.18 2ckz n SER 126 Cb 0.86 -0.87 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 2ckz n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckz s ALA 127 N -2.12 0.71 0.22 7.33 0.00 -1.19 -4.55 121.76 122.17 2ckz s ALA 127 Ca 0.41 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2ckz s ALA 127 Cb -0.24 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 2ckz s ALA 127 CO 0.50 -0.31 0.48 -1.58 0.00 0.00 0.00 175.76 174.84 2ckz s TRP 128 N -3.79 3.46 -0.03 0.00 0.52 -1.20 -2.08 118.94 115.81 2ckz s TRP 128 Ca 0.09 0.63 0.05 0.00 0.02 0.00 0.00 56.10 56.89 2ckz s TRP 128 Cb 0.07 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 2ckz s TRP 128 CO -0.08 0.30 -0.18 0.42 0.02 0.00 0.00 176.95 177.43 2ckz s ILE 129 N -1.86 1.50 -0.32 2.03 1.01 0.62 -1.84 121.20 122.33 2ckz s ILE 129 Ca 0.43 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2ckz s ILE 129 Cb -0.11 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.13 2ckz s ILE 129 CO 0.26 0.43 0.07 0.86 0.00 0.00 0.00 174.94 176.55 2ckz s TRP 130 N -0.20 3.24 -0.14 3.97 -0.00 -0.36 -1.37 118.94 124.07 2ckz s TRP 130 Ca 0.01 -1.49 -0.24 0.00 -0.00 0.00 0.00 56.10 54.39 2ckz s TRP 130 Cb -0.10 -2.22 -0.02 0.00 -0.00 0.00 0.00 33.47 31.13 2ckz s TRP 130 CO 0.01 -0.73 0.75 -1.25 -0.00 0.00 0.00 176.95 175.73 2ckz s PRO 131 N 1.37 4.33 -0.16 5.86 0.04 -1.26 -1.62 135.00 143.56 2ckz s PRO 131 Ca -0.02 0.90 -0.16 0.00 0.04 0.00 0.00 61.00 61.76 2ckz s PRO 131 Cb -0.19 -3.53 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 2ckz s PRO 131 CO 0.01 -0.18 0.18 1.98 0.04 0.00 0.00 177.00 179.04 2ckz h MET 132 N 7.17 0.00 -5.11 4.56 4.05 -1.92 -3.47 114.93 120.21 2ckz h MET 132 Ca -0.34 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.51 2ckz h MET 132 Cb 1.16 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.82 2ckz h MET 132 CO 0.79 0.54 -0.53 0.16 0.23 0.00 0.00 176.91 178.10 2ckz s ASP 133 N -6.17 3.04 0.00 1.39 -4.77 -1.26 -4.99 116.67 103.91 2ckz s ASP 133 Ca -0.18 -1.62 0.00 0.00 -3.30 0.00 0.00 52.55 47.45 2ckz s ASP 133 Cb 0.02 0.41 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 2ckz s ASP 133 CO 0.40 -0.86 0.02 -0.62 0.70 0.00 0.00 175.17 174.81 2ckz n GLU 134 N -0.96 0.03 0.00 2.11 1.02 -1.26 -3.27 120.64 118.32 2ckz n GLU 134 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2ckz n GLU 134 Cb 0.66 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 2ckz n GLU 134 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ckz n GLU 135 N 0.18 0.00 -2.70 3.49 1.02 -1.26 -5.13 120.64 116.24 2ckz n GLU 135 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2ckz n GLU 135 Cb 0.01 -0.15 -0.06 0.00 -0.02 0.00 0.00 31.44 31.22 2ckz n GLU 135 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2ckz s THR 136 N -1.48 4.24 -0.02 2.62 2.01 -1.20 -5.04 115.64 116.78 2ckz s THR 136 Ca 0.00 1.36 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 2ckz s THR 136 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2ckz s THR 136 CO 0.00 -0.34 0.04 -0.54 -0.69 0.00 0.00 174.62 173.10 2ckz s LYS 137 N -3.29 0.05 -0.04 4.92 1.02 -1.26 -2.99 119.74 118.14 2ckz s LYS 137 Ca 0.63 0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.75 2ckz s LYS 137 Cb -0.11 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 2ckz s LYS 137 CO 0.17 -0.01 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.83 2ckz s LEU 138 N 0.07 2.14 -0.20 3.17 1.43 -0.64 -4.97 118.68 119.68 2ckz s LEU 138 Ca -0.00 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2ckz s LEU 138 Cb -0.01 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2ckz s LEU 138 CO -0.00 0.28 -0.01 -0.31 0.23 0.00 0.00 176.35 176.55 2ckz s TYR 139 N -0.39 3.02 -0.36 0.29 1.51 -1.26 -1.23 117.35 118.93 2ckz s TYR 139 Ca 0.03 -0.53 -0.26 0.00 -1.01 0.00 0.00 57.07 55.29 2ckz s TYR 139 Cb -0.12 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2ckz s TYR 139 CO 0.01 -0.29 0.95 -0.06 -1.11 0.00 0.00 175.55 175.05 2ckz s PHE 140 N 1.09 3.09 0.50 2.71 0.40 -0.77 -4.99 117.98 120.00 2ckz s PHE 140 Ca 0.02 0.84 0.04 0.00 -0.60 0.00 0.00 56.93 57.23 2ckz s PHE 140 Cb -0.14 -3.67 -0.00 0.00 0.51 0.00 0.00 43.02 39.71 2ckz s PHE 140 CO 0.01 -0.82 0.18 -0.51 0.70 0.00 0.00 175.22 174.78 2ckz s ASP 141 N 1.85 4.35 0.28 1.36 1.01 -1.26 -3.27 116.67 121.00 2ckz s ASP 141 Ca 0.39 -1.39 -0.18 0.00 0.71 0.00 0.00 52.55 52.09 2ckz s ASP 141 Cb -0.12 0.25 -0.09 0.00 1.01 0.00 0.00 42.92 43.98 2ckz s ASP 141 CO 0.18 -0.87 0.74 0.68 0.21 0.00 0.00 175.17 176.12 2ckz s VAL 142 N -2.78 4.61 0.00 -1.27 -7.23 -1.26 -3.44 120.40 109.03 2ckz s VAL 142 Ca 0.24 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.56 2ckz s VAL 142 Cb 0.01 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.21 2ckz s VAL 142 CO 0.14 0.01 0.00 0.59 -0.31 0.00 0.00 175.10 175.53 2ckz n ASN 143 N 0.19 0.00 -4.85 4.85 3.02 0.10 -4.93 115.26 113.65 2ckz n ASN 143 Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.24 2ckz n ASN 143 Cb 0.52 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 2ckz n ASN 143 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2ckz s GLU 144 N -0.11 3.97 -0.10 3.52 0.41 -1.22 -4.75 118.70 120.42 2ckz s GLU 144 Ca 0.00 0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 55.13 2ckz s GLU 144 Cb 0.00 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 30.12 2ckz s GLU 144 CO 0.00 -0.16 1.04 0.15 -0.49 0.00 0.00 175.26 175.80 2ckz s LYS 145 N -3.80 4.40 0.01 1.61 1.02 -1.26 -1.19 119.74 120.54 2ckz s LYS 145 Ca 0.58 1.44 0.04 0.00 0.02 0.00 0.00 55.97 58.04 2ckz s LYS 145 Cb -0.10 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2ckz s LYS 145 CO 0.27 -0.35 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.74 2ckz s ILE 146 N 2.11 0.88 -0.21 2.17 2.07 0.10 -1.57 121.20 126.75 2ckz s ILE 146 Ca 0.49 -0.70 -0.02 0.00 -1.41 0.00 0.00 60.65 59.01 2ckz s ILE 146 Cb -0.19 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.62 2ckz s ILE 146 CO 0.18 0.08 -0.10 -0.60 -1.91 0.00 0.00 174.94 172.59 2ckz s ARG 147 N -0.70 3.12 0.35 3.50 3.52 0.41 -1.72 118.95 127.44 2ckz s ARG 147 Ca 0.02 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 2ckz s ARG 147 Cb -0.06 -2.86 -0.07 0.00 -1.56 0.00 0.00 34.95 30.41 2ckz s ARG 147 CO 0.00 -0.25 0.01 -0.59 -0.81 0.00 0.00 175.30 173.67 2ckz s PHE 148 N 1.38 2.20 -0.20 5.12 -0.12 -0.83 0.29 117.98 125.82 2ckz s PHE 148 Ca 0.04 -0.78 -0.03 0.00 -0.05 0.00 0.00 56.93 56.10 2ckz s PHE 148 Cb -0.14 -1.46 -0.01 0.00 -0.63 0.00 0.00 43.02 40.78 2ckz s PHE 148 CO -0.07 0.25 -0.05 0.50 -0.05 0.00 0.00 175.22 175.80 2ckz s ARG 149 N -3.78 3.44 -0.04 1.99 3.52 -0.23 -2.01 118.95 121.83 2ckz s ARG 149 Ca 0.35 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 2ckz s ARG 149 Cb 0.08 -2.94 -0.07 0.00 -1.56 0.00 0.00 34.95 30.46 2ckz s ARG 149 CO 0.16 -0.05 2.01 0.42 -0.81 0.00 0.00 175.30 177.03 2ckz s ILE 150 N 1.10 3.06 -0.18 4.11 -1.09 -0.87 -1.60 121.20 125.73 2ckz s ILE 150 Ca 0.01 0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.54 2ckz s ILE 150 Cb -0.15 -3.05 -0.14 0.00 -1.58 0.00 0.00 42.46 37.54 2ckz s ILE 150 CO -0.00 -0.02 -0.12 -0.62 -1.23 0.00 0.00 174.94 172.95 2ckz n GLU 151 N 7.86 0.71 -3.70 2.79 -0.58 0.26 -2.61 120.64 125.37 2ckz n GLU 151 Ca 0.22 0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.91 2ckz n GLU 151 Cb 0.42 -1.38 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 2ckz n GLU 151 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2ckz s ARG 152 N -2.38 0.78 -0.24 3.49 0.52 -1.03 -4.93 118.95 115.17 2ckz s ARG 152 Ca -0.22 -0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 54.77 2ckz s ARG 152 Cb 0.06 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.85 2ckz s ARG 152 CO 0.48 -0.23 0.11 -1.21 0.02 0.00 0.00 175.30 174.47 2ckz s GLU 153 N -1.48 3.86 -0.28 3.54 2.02 -1.26 -1.58 118.70 123.52 2ckz s GLU 153 Ca -0.12 -0.38 -0.07 0.00 0.02 0.00 0.00 54.97 54.43 2ckz s GLU 153 Cb -0.03 -3.42 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 2ckz s GLU 153 CO 0.04 -0.05 0.07 0.08 0.02 0.00 0.00 175.26 175.42 2ckz s VAL 154 N 1.30 3.99 0.00 2.63 1.01 0.13 -5.00 120.40 124.46 2ckz s VAL 154 Ca 0.06 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2ckz s VAL 154 Cb -0.15 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2ckz s VAL 154 CO 0.05 0.17 -0.18 -0.36 0.00 0.00 0.00 175.10 174.79 2ckz s PHE 155 N 1.52 2.58 -0.03 5.22 0.40 -1.26 -1.80 117.98 124.62 2ckz s PHE 155 Ca 0.04 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2ckz s PHE 155 Cb -0.16 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.85 2ckz s PHE 155 CO 0.02 0.19 0.17 0.08 0.70 0.00 0.00 175.22 176.38 2ckz s VAL 156 N -0.82 0.05 -1.42 -0.44 1.01 -1.17 -5.00 120.40 112.61 2ckz s VAL 156 Ca 0.13 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 2ckz s VAL 156 Cb -0.10 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 35.98 2ckz s VAL 156 CO 0.03 -0.21 2.14 0.47 0.00 0.00 0.00 175.10 177.53 2ckz n ASP 157 N 2.10 4.17 -0.59 3.32 8.00 -1.26 -4.54 116.55 127.75 2ckz n ASP 157 Ca -0.18 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.41 2ckz n ASP 157 Cb 0.57 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 2ckz n ASP 157 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ckz n VAL 158 N 4.71 0.00 -2.27 2.53 0.31 -1.26 -5.11 118.33 117.25 2ckz n VAL 158 Ca 0.49 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2ckz n VAL 158 Cb 0.38 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.31 2ckz n VAL 158 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2ckz n PRO 191 N 0.00 -0.92 -2.02 5.55 -0.04 -1.26 -5.02 135.00 131.29 2ckz n PRO 191 Ca 0.00 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.78 2ckz n PRO 191 Cb 0.00 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 2ckz n PRO 191 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2ckz s PRO 192 N -0.08 4.28 0.00 0.54 0.04 -1.26 -4.91 135.00 133.60 2ckz s PRO 192 Ca -0.01 2.30 0.17 0.00 0.04 0.00 0.00 61.00 63.50 2ckz s PRO 192 Cb 0.00 -3.09 0.91 0.00 0.04 0.00 0.00 34.50 32.36 2ckz s PRO 192 CO 0.02 -0.37 1.46 0.00 0.04 0.00 0.00 177.00 178.16 2ckz n ALA 193 N 1.76 2.00 -3.66 8.56 0.00 -1.26 -4.51 120.51 123.40 2ckz n ALA 193 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 2ckz n ALA 193 Cb 0.41 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.51 2ckz n ALA 193 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2ckz s TYR 194 N -2.35 -1.01 0.09 0.00 5.04 -1.25 -3.07 117.35 114.80 2ckz s TYR 194 Ca 0.20 1.88 -0.12 0.00 -2.44 0.00 0.00 57.07 56.58 2ckz s TYR 194 Cb 0.11 0.53 0.02 0.00 0.35 0.00 0.00 41.96 42.97 2ckz s TYR 194 CO 0.23 -0.54 0.29 0.00 -1.34 0.00 0.00 175.55 174.19 2ckz s ALA 195 N 2.40 -0.58 0.04 3.97 0.00 -0.74 -4.84 121.76 122.01 2ckz s ALA 195 Ca -0.06 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2ckz s ALA 195 Cb -0.10 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2ckz s ALA 195 CO -0.16 -0.53 -0.20 -0.51 0.00 0.00 0.00 175.76 174.36 2ckz s LEU 196 N -2.66 2.16 -0.19 0.00 1.43 -0.21 -0.70 118.68 118.51 2ckz s LEU 196 Ca 0.02 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2ckz s LEU 196 Cb 0.03 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2ckz s LEU 196 CO -0.10 0.14 0.01 -0.76 0.23 0.00 0.00 176.35 175.87 2ckz s LEU 197 N -1.14 3.35 0.37 1.79 1.43 -0.62 0.48 118.68 124.34 2ckz s LEU 197 Ca 0.06 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2ckz s LEU 197 Cb -0.09 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 2ckz s LEU 197 CO 0.02 0.09 0.03 -0.83 0.23 0.00 0.00 176.35 175.88 2ckz s GLY 198 N 0.84 2.22 0.21 -3.19 0.00 0.25 0.90 107.32 108.54 2ckz s GLY 198 Ca 0.01 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.66 2ckz s GLY 198 CO 0.02 -1.96 0.09 -1.35 0.00 0.00 0.00 173.10 169.90 2ckz s SER 199 N -3.73 0.69 -0.42 1.64 1.04 -0.63 -4.20 113.70 108.08 2ckz s SER 199 Ca 0.36 -1.33 0.08 0.00 0.48 0.00 0.00 55.95 55.53 2ckz s SER 199 Cb 0.03 0.25 0.28 0.00 0.10 0.00 0.00 66.02 66.69 2ckz s SER 199 CO 0.19 -0.75 0.78 0.00 0.98 0.00 0.00 173.24 174.44 2ckz n GLN 201 N 1.00 1.99 -4.51 0.00 6.02 -1.26 -2.90 117.38 117.72 2ckz n GLN 201 Ca 0.16 -1.70 -0.25 0.00 -0.01 0.00 0.00 57.00 55.20 2ckz n GLN 201 Cb 0.62 -1.24 -0.09 0.00 1.02 0.00 0.00 30.24 30.55 2ckz n GLN 201 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2ckz s THR 202 N -0.96 0.86 0.61 5.09 2.01 -1.26 -4.88 115.64 117.11 2ckz s THR 202 Ca 0.19 -2.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.01 2ckz s THR 202 Cb 0.11 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2ckz s THR 202 CO 0.15 0.00 1.21 1.51 -0.69 0.00 0.00 174.62 176.79 2ckz s ASP 203 N -3.59 5.07 0.00 3.53 -4.77 -1.26 -2.49 116.67 113.16 2ckz s ASP 203 Ca 0.27 2.38 0.00 0.00 -3.30 0.00 0.00 52.55 51.90 2ckz s ASP 203 Cb 0.05 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 2ckz s ASP 203 CO 0.14 -1.67 0.00 0.61 0.70 0.00 0.00 175.17 174.95 2ckz n GLY 204 N 0.48 2.33 3.96 2.12 0.00 -1.26 -4.99 105.19 107.82 2ckz n GLY 204 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2ckz n GLY 204 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ckz s MET 205 N -0.02 3.02 1.00 1.61 -1.94 -1.04 -4.77 119.30 117.16 2ckz s MET 205 Ca 0.00 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 2ckz s MET 205 Cb 0.00 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.27 2ckz s MET 205 CO 0.00 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 2ckz n GLY 206 N -2.07 0.59 3.75 -0.03 0.00 0.14 -4.85 105.19 102.72 2ckz n GLY 206 Ca 0.02 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 2ckz n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckz s LEU 207 N 0.00 4.47 0.06 0.99 1.43 -1.26 0.16 118.68 124.52 2ckz s LEU 207 Ca 0.00 2.32 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 2ckz s LEU 207 Cb 0.00 -3.62 -0.14 0.00 0.03 0.00 0.00 46.19 42.46 2ckz s LEU 207 CO 0.00 -0.35 1.31 0.58 0.23 0.00 0.00 176.35 178.12 2ckz h VAL 208 N 3.48 1.35 0.00 -1.59 2.07 -1.63 -2.68 116.25 117.24 2ckz h VAL 208 Ca -0.46 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2ckz h VAL 208 Cb 1.21 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2ckz h VAL 208 CO 0.71 0.48 0.00 -1.54 0.02 0.00 0.00 177.57 177.24 2ckz n SER 209 N -4.34 0.00 -0.06 0.57 3.41 -1.26 -1.06 113.62 110.89 2ckz n SER 209 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.38 2ckz n SER 209 Cb 0.49 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 2ckz n SER 209 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2ckz n TRP 210 N -0.52 0.65 -0.01 7.33 8.01 -1.01 -4.32 117.44 127.58 2ckz n TRP 210 Ca 0.00 0.16 0.08 0.00 -1.31 0.00 0.00 57.50 56.43 2ckz n TRP 210 Cb 0.00 -1.09 0.17 0.00 -2.01 0.00 0.00 31.31 28.38 2ckz n TRP 210 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 2ckz n TRP 211 N -3.25 0.47 -0.12 -5.99 7.02 -0.22 -4.77 117.44 110.58 2ckz n TRP 211 Ca -0.34 -0.37 0.07 0.00 -1.02 0.00 0.00 57.50 55.84 2ckz n TRP 211 Cb 1.04 -0.01 0.13 0.00 -2.42 0.00 0.00 31.31 30.05 2ckz n TRP 211 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2ckz n GLU 212 N 0.91 -0.03 -0.29 -0.99 1.02 -1.03 -4.76 120.64 115.48 2ckz n GLU 212 Ca 0.14 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2ckz n GLU 212 Cb 0.47 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 2ckz n GLU 212 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ckz n HIS 213 N -4.17 0.00 -4.17 -0.32 8.25 -1.26 -5.11 115.22 108.44 2ckz n HIS 213 Ca 0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 2ckz n HIS 213 Cb 0.33 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 31.08 2ckz n HIS 213 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ckz s HIS 214 N -1.44 3.16 0.90 4.41 3.76 -1.26 -5.10 115.29 119.72 2ckz s HIS 214 Ca 0.00 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 54.72 2ckz s HIS 214 Cb 0.00 -2.02 0.13 0.00 1.11 0.00 0.00 32.58 31.80 2ckz s HIS 214 CO 0.00 0.08 1.10 -1.01 -0.85 0.00 0.00 174.74 174.06 2ckz s HIS 215 N 0.34 2.40 0.46 1.40 3.76 -1.26 -5.09 115.29 117.30 2ckz s HIS 215 Ca 0.00 1.13 0.07 0.00 -0.15 0.00 0.00 55.06 56.12 2ckz s HIS 215 Cb -0.13 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.35 2ckz s HIS 215 CO 0.01 -2.37 0.37 -1.58 -0.85 0.00 0.00 174.74 170.32 2ckz s HIS 216 N -3.02 2.34 0.00 1.40 2.46 -1.26 -5.29 115.29 111.92 2ckz s HIS 216 Ca 0.63 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 55.55 2ckz s HIS 216 Cb -0.17 -2.07 0.00 0.00 -0.13 0.00 0.00 32.58 30.21 2ckz s HIS 216 CO 0.56 -0.21 0.00 -2.39 -2.47 0.00 0.00 174.74 170.23