#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6v s GLN 2 N 0.00 2.58 -0.19 0.54 0.74 -1.26 -5.11 119.66 116.96 1k6v s GLN 2 Ca 0.00 -0.69 -0.04 0.00 0.05 0.00 0.00 55.36 54.69 1k6v s GLN 2 Cb 0.00 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 1k6v s GLN 2 CO 0.00 -0.09 -0.04 0.42 -0.55 0.00 0.00 175.29 175.02 1k6v s ILE 3 N 1.05 3.58 0.60 -2.34 1.01 -1.26 -5.11 121.20 118.73 1k6v s ILE 3 Ca -0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1k6v s ILE 3 Cb -0.15 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1k6v s ILE 3 CO -0.05 0.45 0.91 0.42 0.00 0.00 0.00 174.94 176.68 1k6v s THR 4 N 0.99 3.59 -0.22 2.92 -4.23 -1.26 -5.02 115.64 112.40 1k6v s THR 4 Ca 0.00 0.01 0.14 0.00 -1.18 0.00 0.00 61.69 60.66 1k6v s THR 4 Cb -0.15 -3.43 0.57 0.00 1.34 0.00 0.00 72.50 70.83 1k6v s THR 4 CO 0.01 -0.45 1.49 0.18 -0.54 0.00 0.00 174.62 175.31 1k6v n LEU 5 N -2.61 4.30 0.25 4.79 4.77 -1.26 -4.57 117.00 122.66 1k6v n LEU 5 Ca 0.05 -3.18 0.08 0.00 -0.03 0.00 0.00 56.01 52.93 1k6v n LEU 5 Cb 0.58 -0.59 0.62 0.00 -2.33 0.00 0.00 43.42 41.70 1k6v n LEU 5 CO 0.53 0.79 1.01 -0.50 -1.33 0.00 0.00 177.39 177.90 1k6v h TRP 6 N 1.85 0.00 -3.74 -1.77 4.06 -2.06 -3.43 115.95 110.86 1k6v h TRP 6 Ca 0.08 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.66 1k6v h TRP 6 Cb 1.63 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.64 1k6v h TRP 6 CO 0.72 0.07 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.47 1k6v s LYS 7 N -4.84 1.46 0.19 0.49 -2.85 -1.26 -5.10 119.74 107.82 1k6v s LYS 7 Ca -0.05 -1.80 -0.33 0.00 -1.00 0.00 0.00 55.97 52.79 1k6v s LYS 7 Cb 0.16 -0.27 -0.14 0.00 -2.06 0.00 0.00 37.83 35.53 1k6v s LYS 7 CO 0.66 -0.32 1.55 0.54 0.10 0.00 0.00 175.35 177.89 1k6v n ARG 8 N -0.50 2.20 -2.41 1.78 1.74 -1.26 -4.83 116.66 113.37 1k6v n ARG 8 Ca -0.00 0.79 -0.38 0.00 -0.77 0.00 0.00 57.85 57.49 1k6v n ARG 8 Cb 0.66 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.54 1k6v n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1k6v s PRO 9 N 0.55 3.48 -0.02 5.56 0.04 -1.26 -4.94 135.00 138.40 1k6v s PRO 9 Ca 0.75 -1.66 -0.15 0.00 0.04 0.00 0.00 61.00 59.98 1k6v s PRO 9 Cb -0.65 -5.43 -0.06 0.00 0.04 0.00 0.00 34.50 28.41 1k6v s PRO 9 CO 0.41 -2.82 0.41 -0.51 0.04 0.00 0.00 177.00 174.53 1k6v s LEU 10 N 6.50 4.45 0.13 -3.56 1.43 -1.26 -1.46 118.68 124.90 1k6v s LEU 10 Ca 0.58 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1k6v s LEU 10 Cb 0.02 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1k6v s LEU 10 CO 0.09 0.29 0.02 0.68 0.23 0.00 0.00 176.35 177.65 1k6v s VAL 11 N -0.88 0.35 -0.05 -1.59 -7.23 0.26 -4.93 120.40 106.33 1k6v s VAL 11 Ca 0.24 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1k6v s VAL 11 Cb -0.16 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1k6v s VAL 11 CO 0.13 -0.57 0.59 -0.89 -0.31 0.00 0.00 175.10 174.04 1k6v s THR 12 N -3.87 5.03 0.22 5.32 2.01 -1.26 -0.24 115.64 122.84 1k6v s THR 12 Ca 0.21 1.21 0.09 0.00 0.31 0.00 0.00 61.69 63.50 1k6v s THR 12 Cb 0.07 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1k6v s THR 12 CO 0.00 0.35 -0.16 0.27 -0.69 0.00 0.00 174.62 174.39 1k6v s ILE 13 N 0.29 1.93 -0.14 1.82 -4.36 0.12 -1.69 121.20 119.17 1k6v s ILE 13 Ca 0.31 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1k6v s ILE 13 Cb -0.17 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.48 1k6v s ILE 13 CO 0.15 -0.51 -0.11 -0.60 0.24 0.00 0.00 174.94 174.12 1k6v s ARG 14 N -3.49 1.96 -0.09 0.37 3.52 0.20 -1.00 118.95 120.42 1k6v s ARG 14 Ca 0.23 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1k6v s ARG 14 Cb -0.03 -1.93 0.03 0.00 -1.56 0.00 0.00 34.95 31.46 1k6v s ARG 14 CO 0.09 -0.27 0.23 -1.50 -0.81 0.00 0.00 175.30 173.04 1k6v s ILE 15 N 1.57 -0.01 -1.44 4.11 2.07 -0.31 -1.07 121.20 126.12 1k6v s ILE 15 Ca 0.04 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1k6v s ILE 15 Cb -0.13 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.13 1k6v s ILE 15 CO -0.10 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 1k6v n GLY 16 N 3.36 -0.04 2.10 1.50 0.00 -1.26 -0.62 105.19 110.23 1k6v n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1k6v n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6v n GLY 17 N -0.76 2.09 3.85 -0.02 0.00 -1.26 -5.03 105.19 104.06 1k6v n GLY 17 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1k6v n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k6v s GLN 18 N -0.30 3.29 -0.13 1.61 -0.21 0.21 -5.09 119.66 119.03 1k6v s GLN 18 Ca 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 1k6v s GLN 18 Cb 0.00 -3.02 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 1k6v s GLN 18 CO 0.00 0.69 0.31 -0.51 -2.12 0.00 0.00 175.29 173.66 1k6v s LEU 19 N -1.63 4.28 0.15 2.90 1.43 -1.26 -1.16 118.68 123.40 1k6v s LEU 19 Ca 0.23 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1k6v s LEU 19 Cb -0.12 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1k6v s LEU 19 CO 0.13 0.14 0.11 -0.54 0.23 0.00 0.00 176.35 176.42 1k6v s LYS 20 N 0.18 1.03 -0.16 1.70 1.02 -0.17 -4.96 119.74 118.37 1k6v s LYS 20 Ca 0.18 -1.46 -0.07 0.00 0.02 0.00 0.00 55.97 54.64 1k6v s LYS 20 Cb -0.13 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1k6v s LYS 20 CO 0.05 -0.32 0.08 -1.21 -0.92 0.00 0.00 175.35 173.04 1k6v s GLU 21 N -4.07 3.81 0.05 1.68 2.02 -1.26 0.12 118.70 121.05 1k6v s GLU 21 Ca 0.27 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.99 1k6v s GLU 21 Cb 0.07 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1k6v s GLU 21 CO 0.04 0.41 -0.09 0.00 0.02 0.00 0.00 175.26 175.64 1k6v s ALA 22 N -0.01 0.72 -0.12 5.21 0.00 0.66 -4.45 121.76 123.78 1k6v s ALA 22 Ca 0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 1k6v s ALA 22 Cb -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1k6v s ALA 22 CO 0.01 0.00 0.59 -1.17 0.00 0.00 0.00 175.76 175.19 1k6v s LEU 23 N -1.71 4.26 -0.49 0.00 2.96 -0.47 -0.57 118.68 122.67 1k6v s LEU 23 Ca -0.07 0.94 -0.27 0.00 -0.22 0.00 0.00 54.13 54.51 1k6v s LEU 23 Cb -0.09 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.76 1k6v s LEU 23 CO 0.01 -0.10 1.07 -0.76 -1.32 0.00 0.00 176.35 175.24 1k6v s LEU 24 N 0.97 3.76 -0.33 -0.68 1.43 -0.54 -1.14 118.68 122.15 1k6v s LEU 24 Ca 0.30 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1k6v s LEU 24 Cb -0.16 -3.35 0.09 0.00 0.03 0.00 0.00 46.19 42.80 1k6v s LEU 24 CO 0.13 -1.22 0.04 -0.62 0.23 0.00 0.00 176.35 174.91 1k6v s ASP 25 N 2.48 4.80 0.43 2.29 -1.08 -0.57 -4.81 116.67 120.22 1k6v s ASP 25 Ca 0.43 -1.85 0.29 0.00 -0.52 0.00 0.00 52.55 50.90 1k6v s ASP 25 Cb -0.08 -1.66 1.19 0.00 -1.46 0.00 0.00 42.92 40.91 1k6v s ASP 25 CO 0.29 -0.35 1.87 0.71 0.52 0.00 0.00 175.17 178.21 1k6v h THR 26 N 6.58 0.00 -0.00 1.71 1.35 -1.94 -2.61 112.91 118.00 1k6v h THR 26 Ca -0.11 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1k6v h THR 26 Cb 1.03 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1k6v h THR 26 CO 0.54 0.00 -0.24 0.61 -0.25 0.00 0.00 175.52 176.18 1k6v n GLY 27 N 0.06 -1.13 3.70 5.82 0.00 -1.26 -4.81 105.19 107.57 1k6v n GLY 27 Ca 0.01 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1k6v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6v s ALA 28 N -2.78 3.61 0.15 4.61 0.00 -0.98 -4.98 121.76 121.39 1k6v s ALA 28 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1k6v s ALA 28 Cb 0.19 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1k6v s ALA 28 CO 0.57 -0.06 1.34 -0.44 0.00 0.00 0.00 175.76 177.17 1k6v h ASP 29 N 7.06 0.35 -1.61 0.00 3.32 -1.87 -0.72 116.42 122.94 1k6v h ASP 29 Ca -0.39 -0.28 -0.61 0.00 0.02 0.00 0.00 57.03 55.76 1k6v h ASP 29 Cb 1.16 -0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.49 1k6v h ASP 29 CO 0.72 1.09 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.96 1k6v s ASP 30 N -6.98 4.04 -0.23 6.45 1.01 -1.26 -3.24 116.67 116.45 1k6v s ASP 30 Ca -0.04 -1.30 -0.09 0.00 0.71 0.00 0.00 52.55 51.84 1k6v s ASP 30 Cb 0.10 -0.40 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 1k6v s ASP 30 CO 0.84 -0.49 0.11 -0.89 0.21 0.00 0.00 175.17 174.96 1k6v s THR 31 N -2.68 4.94 -0.14 -1.27 2.01 -1.26 -3.16 115.64 114.08 1k6v s THR 31 Ca 0.36 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1k6v s THR 31 Cb 0.08 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.32 1k6v s THR 31 CO 0.19 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 1k6v s VAL 32 N 1.09 1.76 0.18 3.82 1.01 -0.12 -0.83 120.40 127.31 1k6v s VAL 32 Ca 0.06 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1k6v s VAL 32 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1k6v s VAL 32 CO 0.04 0.49 0.01 -0.76 0.00 0.00 0.00 175.10 174.88 1k6v s LEU 33 N 1.11 3.35 0.78 3.92 1.43 0.64 0.13 118.68 130.04 1k6v s LEU 33 Ca -0.02 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1k6v s LEU 33 Cb -0.14 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.15 1k6v s LEU 33 CO -0.06 0.09 1.17 -1.61 0.23 0.00 0.00 176.35 176.17 1k6v s GLU 34 N -2.97 1.89 -0.11 1.70 2.02 -1.26 -2.23 118.70 117.74 1k6v s GLU 34 Ca 0.28 1.60 -0.39 0.00 0.02 0.00 0.00 54.97 56.48 1k6v s GLU 34 Cb -0.09 -1.82 -0.16 0.00 0.10 0.00 0.00 34.13 32.15 1k6v s GLU 34 CO 0.19 -1.99 1.54 -1.91 0.02 0.00 0.00 175.26 173.11 1k6v n GLU 35 N -3.22 1.10 -3.65 1.61 4.07 -1.05 -4.58 120.64 114.91 1k6v n GLU 35 Ca 0.12 0.40 -0.15 0.00 -0.06 0.00 0.00 57.16 57.47 1k6v n GLU 35 Cb 0.51 -2.05 -0.08 0.00 -0.06 0.00 0.00 31.44 29.76 1k6v n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k6v s MET 36 N 2.03 0.77 -1.31 5.31 0.23 -1.26 -5.03 119.30 120.04 1k6v s MET 36 Ca 0.92 0.52 -0.16 0.00 -1.03 0.00 0.00 55.69 55.94 1k6v s MET 36 Cb -1.03 0.37 0.09 0.00 -1.53 0.00 0.00 34.83 32.73 1k6v s MET 36 CO 0.57 -0.16 1.77 -1.71 -2.03 0.00 0.00 175.02 173.46 1k6v n ASN 37 N 2.09 4.83 -4.79 -1.18 5.15 -1.26 -4.99 115.26 115.12 1k6v n ASN 37 Ca -0.16 -2.93 -0.37 0.00 -0.60 0.00 0.00 54.58 50.51 1k6v n ASN 37 Cb 0.56 -1.68 -0.06 0.00 -0.53 0.00 0.00 39.78 38.07 1k6v n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1k6v s LEU 38 N 3.01 4.42 0.65 1.20 1.43 -1.26 -5.06 118.68 123.07 1k6v s LEU 38 Ca 0.49 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 1k6v s LEU 38 Cb 0.05 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1k6v s LEU 38 CO 0.03 0.04 1.04 -2.16 0.23 0.00 0.00 176.35 175.53 1k6v s PRO 39 N -1.78 3.25 0.00 1.29 0.04 -1.26 -4.97 135.00 131.58 1k6v s PRO 39 Ca 0.44 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1k6v s PRO 39 Cb -0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1k6v s PRO 39 CO 0.24 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1k6v n GLY 40 N -2.83 1.72 3.86 0.56 0.00 -1.26 -5.03 105.19 102.21 1k6v n GLY 40 Ca 0.06 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1k6v n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k6v s ARG 41 N -1.89 3.92 0.21 1.61 3.00 -1.26 -5.08 118.95 119.46 1k6v s ARG 41 Ca 0.00 0.68 -0.10 0.00 0.00 0.00 0.00 55.73 56.31 1k6v s ARG 41 Cb 0.00 -2.34 -0.01 0.00 0.00 0.00 0.00 34.95 32.60 1k6v s ARG 41 CO 0.00 -0.02 0.37 1.67 0.00 0.00 0.00 175.30 177.32 1k6v s TRP 42 N -2.28 0.48 0.03 -0.53 1.48 -1.26 -4.69 118.94 112.16 1k6v s TRP 42 Ca 0.55 -0.82 0.03 0.00 -1.06 0.00 0.00 56.10 54.80 1k6v s TRP 42 Cb -0.10 0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.20 1k6v s TRP 42 CO 0.25 -0.86 -0.10 -1.59 -4.06 0.00 0.00 176.95 170.59 1k6v s LYS 43 N -4.02 0.71 0.54 3.25 -2.85 -1.03 -4.93 119.74 111.42 1k6v s LYS 43 Ca 0.23 -0.61 -0.20 0.00 -1.00 0.00 0.00 55.97 54.39 1k6v s LYS 43 Cb 0.02 -0.65 -0.05 0.00 -2.06 0.00 0.00 37.83 35.08 1k6v s LYS 43 CO 0.06 0.16 1.21 -1.25 0.10 0.00 0.00 175.35 175.63 1k6v s PRO 44 N -0.98 3.26 0.02 1.78 0.04 -1.26 -1.52 135.00 136.34 1k6v s PRO 44 Ca -0.01 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1k6v s PRO 44 Cb -0.07 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1k6v s PRO 44 CO 0.01 -0.98 0.56 0.21 0.04 0.00 0.00 177.00 176.83 1k6v s LYS 45 N -3.10 1.03 -0.14 4.56 2.20 -0.79 -4.88 119.74 118.62 1k6v s LYS 45 Ca 0.72 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 1k6v s LYS 45 Cb -0.30 0.48 -0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1k6v s LYS 45 CO 0.35 -0.36 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.17 1k6v s MET 46 N -2.04 3.20 -0.04 4.03 -1.94 -1.26 -0.66 119.30 120.59 1k6v s MET 46 Ca -0.07 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.20 1k6v s MET 46 Cb -0.01 -2.55 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 1k6v s MET 46 CO 0.02 0.09 -0.23 -1.50 -0.01 0.00 0.00 175.02 173.39 1k6v s ILE 47 N 0.62 1.86 -0.15 2.53 1.10 -0.81 -4.97 121.20 121.38 1k6v s ILE 47 Ca -0.09 -0.98 -0.12 0.00 -0.51 0.00 0.00 60.65 58.95 1k6v s ILE 47 Cb -0.16 -1.56 -0.05 0.00 0.15 0.00 0.00 42.46 40.84 1k6v s ILE 47 CO 0.03 0.52 0.23 -0.83 -2.11 0.00 0.00 174.94 172.78 1k6v s GLY 48 N -0.33 2.18 0.00 1.50 0.00 -1.26 -1.69 107.32 107.72 1k6v s GLY 48 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1k6v s GLY 48 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.90 1k6v n GLY 49 N 3.03 4.37 3.67 0.20 0.00 0.18 -4.98 105.19 111.66 1k6v n GLY 49 Ca -0.15 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 1k6v n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1k6v s ILE 50 N -0.67 4.54 0.00 -0.61 2.07 -1.26 -2.85 121.20 122.42 1k6v s ILE 50 Ca 0.00 1.84 0.00 0.00 -1.41 0.00 0.00 60.65 61.08 1k6v s ILE 50 Cb 0.00 -4.19 0.00 0.00 0.13 0.00 0.00 42.46 38.40 1k6v s ILE 50 CO 0.00 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 1k6v n GLY 51 N 3.32 2.01 0.00 1.50 0.00 -1.26 -5.01 105.19 105.74 1k6v n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1k6v n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6v n GLY 52 N -0.24 -0.63 3.73 -0.02 0.00 -1.13 -5.14 105.19 101.77 1k6v n GLY 52 Ca 0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 1k6v n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k6v s PHE 53 N -2.90 3.09 0.10 1.61 0.40 -1.26 0.47 117.98 119.49 1k6v s PHE 53 Ca 0.00 0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1k6v s PHE 53 Cb 0.00 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 1k6v s PHE 53 CO 0.00 0.50 -0.14 0.96 0.70 0.00 0.00 175.22 177.24 1k6v s ILE 54 N -1.35 1.20 -0.10 0.64 -4.36 -0.68 -4.97 121.20 111.58 1k6v s ILE 54 Ca 0.28 -1.55 -0.17 0.00 -0.26 0.00 0.00 60.65 58.94 1k6v s ILE 54 Cb -0.12 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.20 1k6v s ILE 54 CO 0.20 -0.36 0.46 -0.75 0.24 0.00 0.00 174.94 174.73 1k6v s LYS 55 N -2.34 4.28 0.28 0.37 2.20 -1.26 -1.93 119.74 121.34 1k6v s LYS 55 Ca 0.04 0.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 1k6v s LYS 55 Cb -0.07 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1k6v s LYS 55 CO 0.02 0.24 0.09 0.14 -0.36 0.00 0.00 175.35 175.49 1k6v s VAL 56 N 0.35 0.69 -0.19 4.02 -7.23 0.16 -4.53 120.40 113.68 1k6v s VAL 56 Ca 0.25 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 1k6v s VAL 56 Cb -0.15 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1k6v s VAL 56 CO 0.10 0.00 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.70 1k6v s ARG 57 N -3.98 3.44 -0.27 4.82 0.52 0.11 -1.89 118.95 121.69 1k6v s ARG 57 Ca 0.37 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 1k6v s ARG 57 Cb 0.08 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1k6v s ARG 57 CO 0.14 -0.01 0.43 -1.14 0.02 0.00 0.00 175.30 174.74 1k6v s GLN 58 N 0.99 4.02 -0.10 3.54 0.74 -0.58 -0.04 119.66 128.24 1k6v s GLN 58 Ca -0.00 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1k6v s GLN 58 Cb -0.15 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1k6v s GLN 58 CO 0.00 -0.32 -0.13 0.71 -0.55 0.00 0.00 175.29 175.00 1k6v s TYR 59 N 2.17 2.78 0.28 1.67 1.51 -0.05 -2.46 117.35 123.26 1k6v s TYR 59 Ca 0.17 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1k6v s TYR 59 Cb -0.16 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 1k6v s TYR 59 CO 0.10 -0.07 0.27 -0.51 -1.11 0.00 0.00 175.55 174.23 1k6v s ASP 60 N -0.01 5.59 -1.43 2.29 1.01 -1.26 -0.72 116.67 122.13 1k6v s ASP 60 Ca -0.03 -0.28 -0.01 0.00 0.71 0.00 0.00 52.55 52.93 1k6v s ASP 60 Cb -0.14 -1.30 0.01 0.00 1.01 0.00 0.00 42.92 42.49 1k6v s ASP 60 CO 0.04 -0.18 0.41 0.00 0.21 0.00 0.00 175.17 175.65 1k6v n GLN 61 N -1.31 -3.17 -3.51 8.23 1.13 -1.15 -4.91 117.38 112.68 1k6v n GLN 61 Ca -0.05 0.39 -0.38 0.00 -1.94 0.00 0.00 57.00 55.01 1k6v n GLN 61 Cb 0.58 -4.51 -0.10 0.00 0.11 0.00 0.00 30.24 26.33 1k6v n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k6v s ILE 62 N -3.95 5.26 0.16 5.09 -1.09 -0.49 -4.80 121.20 121.38 1k6v s ILE 62 Ca 0.04 0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.54 1k6v s ILE 62 Cb -0.02 -3.61 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1k6v s ILE 62 CO 0.90 0.24 1.31 -2.84 -1.23 0.00 0.00 174.94 173.32 1k6v s PRO 63 N 1.65 4.38 -0.06 2.79 0.02 -1.26 -2.36 135.00 140.16 1k6v s PRO 63 Ca 0.12 2.02 -0.04 0.00 0.02 0.00 0.00 61.00 63.12 1k6v s PRO 63 Cb -0.15 -3.23 0.03 0.00 0.02 0.00 0.00 34.50 31.17 1k6v s PRO 63 CO 0.09 -0.29 0.15 -1.50 -0.33 0.00 0.00 177.00 175.11 1k6v s ILE 64 N 0.45 -0.03 -0.23 2.83 2.07 0.42 -4.47 121.20 122.25 1k6v s ILE 64 Ca 0.59 0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 59.86 1k6v s ILE 64 Cb -0.36 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 1k6v s ILE 64 CO 0.35 0.05 0.09 -0.70 -1.91 0.00 0.00 174.94 172.81 1k6v s GLU 65 N 0.76 3.85 -0.34 3.50 2.12 -0.23 -0.63 118.70 127.73 1k6v s GLU 65 Ca -0.06 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 54.86 1k6v s GLU 65 Cb -0.07 -3.34 0.07 0.00 0.26 0.00 0.00 34.13 31.05 1k6v s GLU 65 CO -0.04 0.01 0.07 0.42 -0.54 0.00 0.00 175.26 175.19 1k6v s ILE 66 N 1.10 3.11 -1.47 -3.70 1.01 0.16 -0.63 121.20 120.79 1k6v s ILE 66 Ca 0.05 -1.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.02 1k6v s ILE 66 Cb -0.14 -2.91 0.05 0.00 0.01 0.00 0.00 42.46 39.47 1k6v s ILE 66 CO 0.04 -0.30 0.76 0.00 0.00 0.00 0.00 174.94 175.43 1k6v n GLY 68 N -1.68 0.81 3.38 0.00 0.00 -1.26 -5.03 105.19 101.42 1k6v n GLY 68 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1k6v n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k6v s HIS 69 N -3.14 2.97 0.35 1.61 4.02 0.01 -5.10 115.29 116.02 1k6v s HIS 69 Ca 0.00 -0.66 -0.26 0.00 1.02 0.00 0.00 55.06 55.16 1k6v s HIS 69 Cb 0.00 -2.05 -0.09 0.00 -1.02 0.00 0.00 32.58 29.42 1k6v s HIS 69 CO 0.00 -0.34 1.06 0.15 1.02 0.00 0.00 174.74 176.63 1k6v s LYS 70 N 1.05 4.34 0.18 1.40 1.02 -1.26 0.39 119.74 126.86 1k6v s LYS 70 Ca 0.01 1.61 -0.16 0.00 0.02 0.00 0.00 55.97 57.45 1k6v s LYS 70 Cb -0.15 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1k6v s LYS 70 CO 0.00 -0.01 0.47 0.00 -0.92 0.00 0.00 175.35 174.90 1k6v s ALA 71 N -1.48 -0.75 -0.19 5.17 0.00 0.20 -4.82 121.76 119.89 1k6v s ALA 71 Ca 0.53 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 1k6v s ALA 71 Cb -0.25 0.84 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1k6v s ALA 71 CO 0.32 -0.76 0.45 -1.50 0.00 0.00 0.00 175.76 174.27 1k6v s ILE 72 N -3.89 -0.03 0.00 0.00 2.07 -1.26 -0.43 121.20 117.66 1k6v s ILE 72 Ca 0.10 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 1k6v s ILE 72 Cb 0.00 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.92 1k6v s ILE 72 CO -0.03 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1k6v n GLY 73 N 4.29 0.85 3.74 1.50 0.00 -1.00 -4.88 105.19 109.70 1k6v n GLY 73 Ca -0.23 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1k6v n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k6v s THR 74 N -2.13 4.29 -0.03 2.61 2.01 -1.26 -1.40 115.64 119.73 1k6v s THR 74 Ca 0.00 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.07 1k6v s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1k6v s THR 74 CO 0.00 0.42 -0.09 0.68 -0.69 0.00 0.00 174.62 174.94 1k6v s VAL 75 N -0.65 0.80 -0.15 3.82 -7.23 0.10 -4.52 120.40 112.57 1k6v s VAL 75 Ca 0.43 -0.34 -0.06 0.00 -1.81 0.00 0.00 61.98 60.20 1k6v s VAL 75 Cb -0.25 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1k6v s VAL 75 CO 0.30 0.26 0.05 -0.76 -0.31 0.00 0.00 175.10 174.64 1k6v s LEU 76 N 0.38 3.77 -0.12 1.32 1.43 -0.01 -0.87 118.68 124.59 1k6v s LEU 76 Ca -0.06 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1k6v s LEU 76 Cb -0.11 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1k6v s LEU 76 CO 0.01 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.95 1k6v s VAL 77 N -0.10 2.38 0.04 -1.59 1.01 0.95 -0.26 120.40 122.83 1k6v s VAL 77 Ca 0.06 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1k6v s VAL 77 Cb -0.12 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1k6v s VAL 77 CO 0.01 0.54 0.43 0.61 0.00 0.00 0.00 175.10 176.70 1k6v n GLY 78 N 3.65 0.80 3.44 4.51 0.00 -0.94 0.06 105.19 116.71 1k6v n GLY 78 Ca -0.19 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1k6v n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k6v n PRO 79 N -0.31 2.29 -4.29 1.61 -0.04 -1.26 -2.52 135.00 130.48 1k6v n PRO 79 Ca 0.00 -2.70 -0.33 0.00 -0.04 0.00 0.00 63.50 60.43 1k6v n PRO 79 Cb 0.22 -3.51 -0.09 0.00 -0.04 0.00 0.00 33.50 30.08 1k6v n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k6v s THR 80 N 7.11 4.26 -0.06 0.52 -1.32 -1.26 -4.99 115.64 119.90 1k6v s THR 80 Ca 0.60 -0.49 0.31 0.00 -1.21 0.00 0.00 61.69 60.89 1k6v s THR 80 Cb 0.04 -2.88 0.33 0.00 -1.51 0.00 0.00 72.50 68.49 1k6v s THR 80 CO 0.09 0.43 1.91 1.55 -2.21 0.00 0.00 174.62 176.39 1k6v h PRO 81 N 4.51 0.00 -2.85 7.08 0.13 -1.98 -3.44 132.00 135.46 1k6v h PRO 81 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1k6v h PRO 81 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1k6v h PRO 81 CO 0.57 0.00 -0.02 -0.08 -0.23 0.00 0.00 178.00 178.24 1k6v s THR 82 N -3.59 0.04 0.12 1.56 -1.32 -1.26 -5.08 115.64 106.10 1k6v s THR 82 Ca 0.01 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 1k6v s THR 82 Cb 0.09 -0.95 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1k6v s THR 82 CO 0.45 -0.18 1.19 0.20 -2.21 0.00 0.00 174.62 174.07 1k6v s ASN 83 N -1.92 7.10 -0.13 8.08 0.01 -1.26 -4.65 114.94 122.16 1k6v s ASN 83 Ca -0.06 2.11 0.01 0.00 -0.71 0.00 0.00 52.86 54.21 1k6v s ASN 83 Cb -0.01 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1k6v s ASN 83 CO -0.01 -0.41 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.33 1k6v s VAL 84 N 0.53 1.50 -0.37 1.60 1.01 0.12 -1.36 120.40 123.42 1k6v s VAL 84 Ca 0.56 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1k6v s VAL 84 Cb -0.31 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1k6v s VAL 84 CO 0.32 0.45 0.38 -0.63 0.00 0.00 0.00 175.10 175.61 1k6v s ILE 85 N 1.28 5.15 0.30 2.22 -1.09 -0.29 -0.94 121.20 127.83 1k6v s ILE 85 Ca -0.00 -0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1k6v s ILE 85 Cb -0.14 -3.90 0.06 0.00 -1.58 0.00 0.00 42.46 36.90 1k6v s ILE 85 CO -0.07 -0.22 0.41 0.61 -1.23 0.00 0.00 174.94 174.44 1k6v n GLY 86 N 5.03 0.73 0.30 6.18 0.00 -1.19 -1.51 105.19 114.73 1k6v n GLY 86 Ca -0.09 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 43.99 1k6v n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k6v h ARG 87 N 0.00 0.41 -0.62 1.61 3.08 -1.22 -1.47 114.38 116.18 1k6v h ARG 87 Ca -0.14 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.01 1k6v h ARG 87 Cb 0.50 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1k6v h ARG 87 CO 0.15 0.28 0.42 -2.95 -1.07 0.00 0.00 179.97 176.79 1k6v h ASN 88 N 0.42 0.29 0.06 7.04 -1.07 -1.83 -2.01 115.58 118.49 1k6v h ASN 88 Ca 0.11 0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.13 1k6v h ASN 88 Cb -0.04 -0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.10 1k6v h ASN 88 CO -0.02 0.16 -2.32 0.18 0.07 0.00 0.00 177.43 175.51 1k6v n LEU 89 N -4.45 1.20 -0.24 6.14 4.77 -0.97 -4.30 117.00 119.14 1k6v n LEU 89 Ca 0.11 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1k6v n LEU 89 Cb 0.46 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.70 1k6v n LEU 89 CO 0.34 0.65 1.25 -0.07 -1.33 0.00 0.00 177.39 178.23 1k6v h LEU 90 N 0.00 0.90 -1.16 2.23 3.38 -0.99 -1.35 115.31 118.32 1k6v h LEU 90 Ca -0.52 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1k6v h LEU 90 Cb 2.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1k6v h LEU 90 CO 0.00 0.64 0.15 0.71 0.09 0.00 0.00 178.44 180.03 1k6v h THR 91 N 1.06 1.20 -0.09 0.22 1.35 -1.58 -1.97 112.91 113.10 1k6v h THR 91 Ca 0.30 -0.69 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 1k6v h THR 91 Cb -0.08 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 1k6v h THR 91 CO -0.07 0.26 -0.12 1.56 -0.25 0.00 0.00 175.52 176.90 1k6v h GLN 92 N 0.72 0.13 -0.65 4.72 4.20 -1.43 -2.12 115.11 120.68 1k6v h GLN 92 Ca 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1k6v h GLN 92 Cb 0.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1k6v h GLN 92 CO -0.01 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 1k6v n ILE 93 N -4.33 1.55 -3.22 2.54 -5.35 -1.02 -4.94 119.36 104.59 1k6v n ILE 93 Ca -0.01 -1.04 -0.20 0.00 -0.27 0.00 0.00 62.75 61.23 1k6v n ILE 93 Cb 0.23 0.14 0.05 0.00 -1.74 0.00 0.00 39.64 38.32 1k6v n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k6v n GLY 94 N 1.15 -0.31 3.75 3.28 0.00 -0.80 -4.99 105.19 107.28 1k6v n GLY 94 Ca 0.23 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1k6v n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6v s THR 96 N -0.50 0.73 -0.14 0.00 -4.23 -1.26 -4.73 115.64 105.51 1k6v s THR 96 Ca 0.40 -1.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 1k6v s THR 96 Cb -0.23 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1k6v s THR 96 CO 0.27 -0.77 0.10 -0.76 -0.54 0.00 0.00 174.62 172.92 1k6v s LEU 97 N -2.79 4.10 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.84 1k6v s LEU 97 Ca 0.08 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1k6v s LEU 97 Cb 0.02 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1k6v s LEU 97 CO -0.03 0.31 -0.03 0.20 0.23 0.00 0.00 176.35 177.03 1k6v s ASN 98 N -0.44 0.44 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.80 1k6v s ASN 98 Ca 0.11 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 1k6v s ASN 98 Cb -0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.02 1k6v s ASN 98 CO 0.02 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.78