#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6t s GLN 2 N 0.00 2.82 -0.15 0.54 0.74 -1.26 -5.11 119.66 117.25 1k6t s GLN 2 Ca 0.00 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1k6t s GLN 2 Cb 0.00 -2.23 -0.01 0.00 1.10 0.00 0.00 33.01 31.88 1k6t s GLN 2 CO 0.00 0.06 -0.15 0.42 -0.55 0.00 0.00 175.29 175.08 1k6t s ILE 3 N 0.63 2.77 0.69 -2.34 1.01 -1.26 -5.12 121.20 117.58 1k6t s ILE 3 Ca -0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 1k6t s ILE 3 Cb -0.16 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1k6t s ILE 3 CO 0.03 0.52 1.04 0.42 0.00 0.00 0.00 174.94 176.94 1k6t s THR 4 N 0.68 3.00 -0.20 2.92 -4.23 -1.26 -5.02 115.64 111.53 1k6t s THR 4 Ca -0.07 0.09 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 1k6t s THR 4 Cb -0.16 -3.28 0.54 0.00 1.34 0.00 0.00 72.50 70.95 1k6t s THR 4 CO 0.02 -0.33 1.43 0.18 -0.54 0.00 0.00 174.62 175.39 1k6t n LEU 5 N -2.92 3.94 -0.04 4.79 4.77 -1.26 -4.54 117.00 121.75 1k6t n LEU 5 Ca 0.07 -3.00 0.02 0.00 -0.03 0.00 0.00 56.01 53.06 1k6t n LEU 5 Cb 0.59 -0.55 0.35 0.00 -2.33 0.00 0.00 43.42 41.48 1k6t n LEU 5 CO 0.55 0.67 1.09 -0.50 -1.33 0.00 0.00 177.39 177.87 1k6t h TRP 6 N 1.89 0.60 -1.92 -1.77 4.06 -2.06 -3.43 115.95 113.31 1k6t h TRP 6 Ca 0.00 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 1k6t h TRP 6 Cb 1.45 -0.19 -0.13 0.00 -1.00 0.00 0.00 29.16 29.29 1k6t h TRP 6 CO 0.51 0.45 -0.65 0.15 -3.56 0.00 0.00 178.44 175.34 1k6t s LYS 7 N -5.36 1.84 0.23 0.49 -0.14 -1.26 -5.09 119.74 110.45 1k6t s LYS 7 Ca -0.08 -1.98 -0.31 0.00 -1.36 0.00 0.00 55.97 52.24 1k6t s LYS 7 Cb 0.17 -1.63 -0.11 0.00 -1.68 0.00 0.00 37.83 34.58 1k6t s LYS 7 CO 0.75 0.07 1.62 1.03 -0.76 0.00 0.00 175.35 178.06 1k6t s ARG 8 N -3.65 4.16 -1.06 1.68 0.52 -1.26 -4.85 118.95 114.48 1k6t s ARG 8 Ca 0.33 2.51 -0.23 0.00 -0.52 0.00 0.00 55.73 57.83 1k6t s ARG 8 Cb 0.05 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1k6t s ARG 8 CO 0.17 -0.65 1.82 -1.25 0.02 0.00 0.00 175.30 175.40 1k6t s PRO 9 N 0.50 2.95 -0.14 3.54 0.04 -1.26 -4.95 135.00 135.68 1k6t s PRO 9 Ca 0.69 -0.95 -0.06 0.00 0.04 0.00 0.00 61.00 60.71 1k6t s PRO 9 Cb -0.47 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 28.79 1k6t s PRO 9 CO 0.38 -3.16 0.09 -0.51 0.04 0.00 0.00 177.00 173.84 1k6t s LEU 10 N 8.51 4.05 0.19 -3.56 1.43 -1.26 -0.95 118.68 127.08 1k6t s LEU 10 Ca 0.63 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1k6t s LEU 10 Cb -0.02 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1k6t s LEU 10 CO 0.03 0.32 0.07 0.68 0.23 0.00 0.00 176.35 177.68 1k6t s VAL 11 N -0.48 0.31 0.03 -1.59 -7.23 0.26 -4.91 120.40 106.79 1k6t s VAL 11 Ca 0.11 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.12 1k6t s VAL 11 Cb -0.12 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 1k6t s VAL 11 CO 0.02 -0.24 0.55 -0.89 -0.31 0.00 0.00 175.10 174.23 1k6t s THR 12 N -3.92 4.84 0.14 5.32 2.01 -1.26 0.17 115.64 122.94 1k6t s THR 12 Ca 0.31 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.54 1k6t s THR 12 Cb 0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1k6t s THR 12 CO 0.08 0.51 -0.13 0.27 -0.69 0.00 0.00 174.62 174.66 1k6t s ILE 13 N -0.75 1.32 -0.13 1.82 -4.36 0.74 -2.25 121.20 117.58 1k6t s ILE 13 Ca 0.29 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 1k6t s ILE 13 Cb -0.19 -1.68 0.02 0.00 1.25 0.00 0.00 42.46 41.87 1k6t s ILE 13 CO 0.17 -0.54 -0.15 -0.60 0.24 0.00 0.00 174.94 174.07 1k6t s ARG 14 N -3.11 2.25 -0.06 0.37 3.52 -0.22 -0.56 118.95 121.14 1k6t s ARG 14 Ca 0.13 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1k6t s ARG 14 Cb -0.02 -1.99 0.04 0.00 -1.56 0.00 0.00 34.95 31.42 1k6t s ARG 14 CO 0.03 -0.14 0.14 -1.50 -0.81 0.00 0.00 175.30 173.01 1k6t s ILE 15 N 1.22 -0.05 -1.49 4.11 2.07 0.38 -1.33 121.20 126.12 1k6t s ILE 15 Ca -0.01 0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.36 1k6t s ILE 15 Cb -0.14 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.22 1k6t s ILE 15 CO -0.06 0.08 0.75 0.61 -1.91 0.00 0.00 174.94 174.41 1k6t n GLY 16 N 4.23 -0.51 2.61 1.50 0.00 -1.26 -1.21 105.19 110.54 1k6t n GLY 16 Ca -0.26 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1k6t n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6t n GLY 17 N -1.64 0.45 3.49 -0.02 0.00 -1.26 -5.01 105.19 101.20 1k6t n GLY 17 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1k6t n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k6t s GLN 18 N -0.53 2.48 -0.15 1.61 -0.21 -0.35 -5.11 119.66 117.41 1k6t s GLN 18 Ca 0.00 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 54.51 1k6t s GLN 18 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1k6t s GLN 18 CO 0.00 0.62 0.40 -0.51 -2.12 0.00 0.00 175.29 173.68 1k6t s LEU 19 N -0.84 4.24 0.06 2.90 1.43 -1.26 -0.47 118.68 124.74 1k6t s LEU 19 Ca 0.12 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1k6t s LEU 19 Cb -0.11 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1k6t s LEU 19 CO 0.01 0.02 -0.00 -0.54 0.23 0.00 0.00 176.35 176.07 1k6t s LYS 20 N 0.73 0.65 -0.09 1.70 1.02 0.27 -4.95 119.74 119.06 1k6t s LYS 20 Ca 0.21 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 54.84 1k6t s LYS 20 Cb -0.14 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1k6t s LYS 20 CO 0.07 -0.13 0.44 -1.21 -0.92 0.00 0.00 175.35 173.60 1k6t s GLU 21 N -3.92 4.23 0.06 1.68 0.41 -1.26 -0.19 118.70 119.72 1k6t s GLU 21 Ca 0.07 0.39 0.03 0.00 -0.41 0.00 0.00 54.97 55.06 1k6t s GLU 21 Cb 0.08 -3.38 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1k6t s GLU 21 CO -0.10 0.30 -0.10 0.00 -0.49 0.00 0.00 175.26 174.87 1k6t s ALA 22 N 0.19 0.79 -0.22 5.21 0.00 0.13 -4.47 121.76 123.39 1k6t s ALA 22 Ca 0.24 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 51.15 1k6t s ALA 22 Cb -0.15 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1k6t s ALA 22 CO 0.10 0.01 0.41 -1.17 0.00 0.00 0.00 175.76 175.11 1k6t s LEU 23 N -1.77 4.12 -0.43 0.00 2.96 -0.72 -0.57 118.68 122.28 1k6t s LEU 23 Ca -0.06 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 1k6t s LEU 23 Cb -0.09 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.11 1k6t s LEU 23 CO 0.01 -0.12 1.27 -0.76 -1.32 0.00 0.00 176.35 175.43 1k6t s LEU 24 N 1.55 3.65 -0.38 -0.68 1.43 -0.12 -1.44 118.68 122.68 1k6t s LEU 24 Ca 0.19 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 1k6t s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1k6t s LEU 24 CO 0.08 -1.30 0.10 -0.62 0.23 0.00 0.00 176.35 174.84 1k6t s ASP 25 N 3.12 4.73 0.45 2.29 -1.08 -0.84 -4.79 116.67 120.55 1k6t s ASP 25 Ca 0.55 -2.31 0.31 0.00 -0.52 0.00 0.00 52.55 50.57 1k6t s ASP 25 Cb -0.11 -1.65 1.52 0.00 -1.46 0.00 0.00 42.92 41.21 1k6t s ASP 25 CO 0.31 -0.37 1.94 0.71 0.52 0.00 0.00 175.17 178.28 1k6t h THR 26 N 6.37 0.00 0.00 1.71 1.35 -1.93 -2.18 112.91 118.24 1k6t h THR 26 Ca -0.05 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1k6t h THR 26 Cb 1.00 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1k6t h THR 26 CO 0.57 0.00 -0.27 0.61 -0.25 0.00 0.00 175.52 176.17 1k6t n GLY 27 N -0.64 -1.50 3.71 5.82 0.00 -1.26 -4.82 105.19 106.51 1k6t n GLY 27 Ca -0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1k6t n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6t s ALA 28 N -3.08 3.51 0.11 4.61 0.00 -0.82 -4.96 121.76 121.13 1k6t s ALA 28 Ca 0.10 -0.29 0.10 0.00 0.00 0.00 0.00 51.96 51.88 1k6t s ALA 28 Cb 0.15 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.68 1k6t s ALA 28 CO 0.64 -0.05 1.41 -0.44 0.00 0.00 0.00 175.76 177.32 1k6t h ASP 29 N 6.84 0.00 -0.66 0.00 3.32 -1.87 -0.48 116.42 123.57 1k6t h ASP 29 Ca -0.40 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.98 1k6t h ASP 29 Cb 1.17 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 1k6t h ASP 29 CO 0.75 0.78 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.71 1k6t s ASP 30 N -6.67 4.08 -0.15 6.45 1.01 -1.26 -3.44 116.67 116.70 1k6t s ASP 30 Ca 0.01 -1.58 -0.04 0.00 0.71 0.00 0.00 52.55 51.65 1k6t s ASP 30 Cb 0.10 0.31 -0.03 0.00 1.01 0.00 0.00 42.92 44.31 1k6t s ASP 30 CO 0.78 -0.76 -0.02 -0.89 0.21 0.00 0.00 175.17 174.49 1k6t s THR 31 N -2.84 4.08 -0.09 -1.27 2.01 -1.26 -2.66 115.64 113.62 1k6t s THR 31 Ca 0.13 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1k6t s THR 31 Cb 0.03 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1k6t s THR 31 CO 0.07 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 1k6t s VAL 32 N 0.18 1.14 0.17 3.82 1.01 0.28 -1.25 120.40 125.74 1k6t s VAL 32 Ca -0.01 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1k6t s VAL 32 Cb -0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1k6t s VAL 32 CO 0.02 0.37 -0.14 -0.76 0.00 0.00 0.00 175.10 174.59 1k6t s LEU 33 N 1.02 2.83 0.66 3.92 1.43 0.29 0.27 118.68 129.10 1k6t s LEU 33 Ca -0.08 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1k6t s LEU 33 Cb -0.15 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 1k6t s LEU 33 CO -0.01 0.12 1.24 -1.83 0.23 0.00 0.00 176.35 176.10 1k6t s GLU 34 N -2.66 2.55 -0.03 1.70 -1.05 -1.26 -2.10 118.70 115.86 1k6t s GLU 34 Ca 0.23 1.89 -0.40 0.00 -0.15 0.00 0.00 54.97 56.54 1k6t s GLU 34 Cb -0.09 -1.87 -0.19 0.00 -0.44 0.00 0.00 34.13 31.54 1k6t s GLU 34 CO 0.13 -1.55 1.22 -1.91 0.95 0.00 0.00 175.26 174.10 1k6t n GLU 35 N -2.08 0.36 -3.51 -4.83 4.07 -0.91 -4.62 120.64 109.12 1k6t n GLU 35 Ca 0.14 0.13 -0.16 0.00 -0.06 0.00 0.00 57.16 57.21 1k6t n GLU 35 Cb 0.49 -1.68 -0.05 0.00 -0.06 0.00 0.00 31.44 30.14 1k6t n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k6t s MET 36 N 0.53 1.09 -1.27 5.31 0.23 -1.26 -5.02 119.30 118.90 1k6t s MET 36 Ca 0.91 0.07 -0.08 0.00 -1.03 0.00 0.00 55.69 55.55 1k6t s MET 36 Cb -1.19 0.51 0.17 0.00 -1.53 0.00 0.00 34.83 32.79 1k6t s MET 36 CO 0.57 -0.37 1.92 -1.71 -2.03 0.00 0.00 175.02 173.39 1k6t n ASN 37 N 0.63 5.57 -4.77 -1.18 2.85 -1.26 -5.00 115.26 112.09 1k6t n ASN 37 Ca -0.19 -3.14 -0.39 0.00 -0.11 0.00 0.00 54.58 50.76 1k6t n ASN 37 Cb 0.59 -1.45 -0.03 0.00 1.24 0.00 0.00 39.78 40.13 1k6t n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1k6t s LEU 38 N -0.61 4.29 0.60 1.20 2.01 -1.26 -5.03 118.68 119.88 1k6t s LEU 38 Ca 0.41 2.34 -0.08 0.00 0.01 0.00 0.00 54.13 56.80 1k6t s LEU 38 Cb 0.11 -3.92 -0.01 0.00 0.01 0.00 0.00 46.19 42.37 1k6t s LEU 38 CO -0.00 -0.53 0.95 -2.16 1.01 0.00 0.00 176.35 175.62 1k6t s PRO 39 N -2.09 3.23 0.00 1.29 0.04 -1.26 -4.98 135.00 131.23 1k6t s PRO 39 Ca 0.54 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1k6t s PRO 39 Cb -0.31 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1k6t s PRO 39 CO 0.39 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1k6t n GLY 40 N -2.65 2.04 3.88 0.56 0.00 -1.26 -5.04 105.19 102.72 1k6t n GLY 40 Ca 0.04 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.70 1k6t n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k6t s ARG 41 N -2.09 3.72 0.19 1.61 1.70 -1.26 -5.09 118.95 117.74 1k6t s ARG 41 Ca 0.00 0.44 -0.12 0.00 -0.47 0.00 0.00 55.73 55.58 1k6t s ARG 41 Cb 0.00 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 32.02 1k6t s ARG 41 CO 0.00 -0.11 0.39 1.67 -1.08 0.00 0.00 175.30 176.17 1k6t s TRP 42 N -2.51 0.27 0.06 5.89 1.48 -1.26 -4.68 118.94 118.19 1k6t s TRP 42 Ca 0.51 -0.63 0.08 0.00 -1.06 0.00 0.00 56.10 55.00 1k6t s TRP 42 Cb -0.10 0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.29 1k6t s TRP 42 CO 0.36 -0.84 -0.23 0.15 -4.06 0.00 0.00 176.95 172.33 1k6t s LYS 43 N -3.96 1.49 0.54 3.25 1.02 -0.98 -4.91 119.74 116.18 1k6t s LYS 43 Ca 0.17 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.91 1k6t s LYS 43 Cb 0.01 -1.67 -0.06 0.00 -0.52 0.00 0.00 37.83 35.59 1k6t s LYS 43 CO 0.02 0.42 1.08 -2.14 -0.92 0.00 0.00 175.35 173.81 1k6t s PRO 44 N -1.36 3.50 -0.02 -1.68 0.02 -1.26 -0.91 135.00 133.28 1k6t s PRO 44 Ca 0.09 1.42 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 1k6t s PRO 44 Cb -0.09 -2.04 0.08 0.00 0.02 0.00 0.00 34.50 32.46 1k6t s PRO 44 CO 0.03 -0.69 0.71 0.21 -0.33 0.00 0.00 177.00 176.92 1k6t s LYS 45 N -3.46 1.04 -0.10 5.54 2.20 -0.55 -4.86 119.74 119.54 1k6t s LYS 45 Ca 0.68 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.38 1k6t s LYS 45 Cb -0.19 0.49 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1k6t s LYS 45 CO 0.27 -0.36 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.13 1k6t s MET 46 N -1.77 3.12 -0.00 4.03 -1.94 -1.26 -0.28 119.30 121.19 1k6t s MET 46 Ca -0.07 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.27 1k6t s MET 46 Cb -0.00 -2.56 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 1k6t s MET 46 CO 0.04 0.35 -0.14 0.96 -0.01 0.00 0.00 175.02 176.21 1k6t s ILE 47 N 0.00 1.10 -0.08 2.53 -4.36 -1.03 -4.98 121.20 114.38 1k6t s ILE 47 Ca -0.04 -0.67 -0.02 0.00 -0.26 0.00 0.00 60.65 59.65 1k6t s ILE 47 Cb -0.14 -0.93 -0.03 0.00 1.25 0.00 0.00 42.46 42.60 1k6t s ILE 47 CO 0.04 0.25 0.02 -0.83 0.24 0.00 0.00 174.94 174.66 1k6t s GLY 48 N -0.49 1.90 0.00 6.27 0.00 -1.26 -1.58 107.32 112.16 1k6t s GLY 48 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1k6t s GLY 48 CO -0.00 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.15 1k6t n GLY 49 N 2.04 6.96 3.67 0.20 0.00 0.15 -4.97 105.19 113.24 1k6t n GLY 49 Ca -0.18 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 1k6t n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6t s ILE 50 N 0.57 4.43 0.00 -0.61 -1.09 -1.26 -3.07 121.20 120.17 1k6t s ILE 50 Ca 0.00 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1k6t s ILE 50 Cb 0.00 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1k6t s ILE 50 CO 0.00 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.23 1k6t n GLY 51 N 3.41 3.24 0.00 6.18 0.00 -1.26 -5.01 105.19 111.75 1k6t n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1k6t n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6t n GLY 52 N -1.58 -0.12 3.62 -0.02 0.00 -1.17 -5.13 105.19 100.78 1k6t n GLY 52 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1k6t n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k6t s PHE 53 N -2.80 2.90 0.05 1.61 0.40 -1.26 0.33 117.98 119.20 1k6t s PHE 53 Ca 0.00 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1k6t s PHE 53 Cb 0.00 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 1k6t s PHE 53 CO 0.00 0.42 -0.17 0.96 0.70 0.00 0.00 175.22 177.13 1k6t s ILE 54 N -1.13 1.34 0.01 0.64 -4.36 -0.61 -4.96 121.20 112.13 1k6t s ILE 54 Ca 0.20 -1.14 -0.25 0.00 -0.26 0.00 0.00 60.65 59.21 1k6t s ILE 54 Cb -0.11 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1k6t s ILE 54 CO 0.12 0.04 0.76 -0.75 0.24 0.00 0.00 174.94 175.35 1k6t s LYS 55 N -1.27 4.48 0.18 0.37 2.20 -1.26 -2.46 119.74 121.98 1k6t s LYS 55 Ca 0.04 1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.67 1k6t s LYS 55 Cb -0.08 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1k6t s LYS 55 CO 0.02 0.22 0.09 0.14 -0.36 0.00 0.00 175.35 175.46 1k6t s VAL 56 N 0.19 0.13 -0.19 4.02 -7.23 0.61 -4.59 120.40 113.34 1k6t s VAL 56 Ca 0.39 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1k6t s VAL 56 Cb -0.20 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1k6t s VAL 56 CO 0.22 -0.18 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.69 1k6t s ARG 57 N -4.10 3.65 -0.31 4.82 0.52 0.69 -1.48 118.95 122.74 1k6t s ARG 57 Ca 0.33 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 1k6t s ARG 57 Cb 0.07 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 1k6t s ARG 57 CO 0.08 0.09 0.41 -1.14 0.02 0.00 0.00 175.30 174.77 1k6t s GLN 58 N 0.78 3.78 -0.18 3.54 0.74 -0.09 -0.31 119.66 127.93 1k6t s GLN 58 Ca 0.00 -0.14 -0.03 0.00 0.05 0.00 0.00 55.36 55.24 1k6t s GLN 58 Cb -0.14 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1k6t s GLN 58 CO 0.02 -0.45 -0.04 0.71 -0.55 0.00 0.00 175.29 174.98 1k6t s TYR 59 N 2.14 2.98 0.45 1.67 1.51 -0.14 -2.32 117.35 123.65 1k6t s TYR 59 Ca 0.15 -0.54 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1k6t s TYR 59 Cb -0.16 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1k6t s TYR 59 CO 0.11 -0.23 0.65 -0.51 -1.11 0.00 0.00 175.55 174.45 1k6t s ASP 60 N 0.78 5.69 -1.60 2.29 1.01 -1.26 -0.94 116.67 122.64 1k6t s ASP 60 Ca -0.02 0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.22 1k6t s ASP 60 Cb -0.15 -1.19 0.04 0.00 1.01 0.00 0.00 42.92 42.64 1k6t s ASP 60 CO 0.02 -0.77 0.16 0.00 0.21 0.00 0.00 175.17 174.79 1k6t n GLN 61 N -2.03 -1.20 -3.36 8.23 1.13 -1.13 -4.89 117.38 114.13 1k6t n GLN 61 Ca 0.04 0.14 -0.38 0.00 -1.94 0.00 0.00 57.00 54.85 1k6t n GLN 61 Cb 0.58 -3.91 -0.07 0.00 0.11 0.00 0.00 30.24 26.96 1k6t n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k6t s ILE 62 N -4.13 5.19 0.15 5.09 -1.09 0.15 -4.76 121.20 121.81 1k6t s ILE 62 Ca 0.16 0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 59.08 1k6t s ILE 62 Cb -0.09 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 1k6t s ILE 62 CO 0.99 0.28 1.18 -2.84 -1.23 0.00 0.00 174.94 173.32 1k6t s PRO 63 N 1.07 4.50 -0.06 2.79 0.02 -1.26 -1.90 135.00 140.15 1k6t s PRO 63 Ca 0.21 1.81 -0.09 0.00 0.02 0.00 0.00 61.00 62.95 1k6t s PRO 63 Cb -0.15 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.12 1k6t s PRO 63 CO 0.08 -0.10 0.24 -1.50 -0.33 0.00 0.00 177.00 175.39 1k6t s ILE 64 N 0.22 0.02 -0.08 2.83 2.07 0.10 -4.48 121.20 121.89 1k6t s ILE 64 Ca 0.54 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1k6t s ILE 64 Cb -0.31 -0.41 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 1k6t s ILE 64 CO 0.34 -0.11 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.43 1k6t s GLU 65 N -0.38 2.86 -0.24 3.50 2.12 -0.44 -0.45 118.70 125.67 1k6t s GLU 65 Ca -0.05 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.60 1k6t s GLU 65 Cb -0.03 -2.49 0.07 0.00 0.26 0.00 0.00 34.13 31.93 1k6t s GLU 65 CO 0.01 0.47 -0.00 0.42 -0.54 0.00 0.00 175.26 175.62 1k6t s ILE 66 N -0.32 1.25 -1.28 -3.70 1.01 -0.20 -1.06 121.20 116.90 1k6t s ILE 66 Ca 0.03 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 1k6t s ILE 66 Cb -0.13 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1k6t s ILE 66 CO 0.02 -0.25 0.64 0.00 0.00 0.00 0.00 174.94 175.35 1k6t n GLY 68 N -1.73 0.36 3.45 0.00 0.00 -1.26 -4.96 105.19 101.05 1k6t n GLY 68 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1k6t n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k6t s HIS 69 N -1.99 3.18 0.32 1.61 4.02 0.08 -5.07 115.29 117.43 1k6t s HIS 69 Ca 0.00 -0.49 -0.28 0.00 1.02 0.00 0.00 55.06 55.31 1k6t s HIS 69 Cb 0.00 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.58 29.11 1k6t s HIS 69 CO 0.00 -0.42 1.06 0.15 1.02 0.00 0.00 174.74 176.55 1k6t s LYS 70 N 1.63 4.51 0.20 1.40 1.02 -1.26 -1.03 119.74 126.20 1k6t s LYS 70 Ca 0.05 1.66 -0.16 0.00 0.02 0.00 0.00 55.97 57.53 1k6t s LYS 70 Cb -0.17 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1k6t s LYS 70 CO 0.07 0.13 0.50 0.00 -0.92 0.00 0.00 175.35 175.13 1k6t s ALA 71 N -1.34 -0.78 -0.18 5.17 0.00 0.41 -4.85 121.76 120.19 1k6t s ALA 71 Ca 0.49 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1k6t s ALA 71 Cb -0.28 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1k6t s ALA 71 CO 0.35 -0.80 0.45 -1.50 0.00 0.00 0.00 175.76 174.27 1k6t s ILE 72 N -3.90 -0.02 0.00 0.00 2.07 -1.26 0.02 121.20 118.12 1k6t s ILE 72 Ca 0.11 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1k6t s ILE 72 Cb -0.01 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.92 1k6t s ILE 72 CO -0.01 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1k6t n GLY 73 N 3.85 0.99 3.76 1.50 0.00 -0.80 -4.86 105.19 109.62 1k6t n GLY 73 Ca -0.20 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1k6t n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k6t s THR 74 N -2.01 4.42 -0.02 2.61 2.01 -1.26 -0.68 115.64 120.70 1k6t s THR 74 Ca 0.00 1.80 0.01 0.00 0.31 0.00 0.00 61.69 63.81 1k6t s THR 74 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1k6t s THR 74 CO 0.00 0.46 -0.04 0.68 -0.69 0.00 0.00 174.62 175.02 1k6t s VAL 75 N -0.76 0.42 -0.11 3.82 -7.23 -0.11 -4.53 120.40 111.90 1k6t s VAL 75 Ca 0.39 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.35 1k6t s VAL 75 Cb -0.23 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 1k6t s VAL 75 CO 0.27 0.16 0.11 -0.76 -0.31 0.00 0.00 175.10 174.57 1k6t s LEU 76 N 0.37 4.24 -0.10 1.32 1.43 -0.38 -0.96 118.68 124.58 1k6t s LEU 76 Ca -0.04 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1k6t s LEU 76 Cb -0.08 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1k6t s LEU 76 CO -0.00 0.40 -0.19 -0.69 0.23 0.00 0.00 176.35 176.10 1k6t s VAL 77 N -1.01 1.71 0.06 -1.59 1.01 0.58 -0.55 120.40 120.61 1k6t s VAL 77 Ca 0.15 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1k6t s VAL 77 Cb -0.12 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1k6t s VAL 77 CO 0.04 0.48 0.68 0.61 0.00 0.00 0.00 175.10 176.91 1k6t n GLY 78 N 3.91 0.67 2.94 4.51 0.00 -0.89 -0.22 105.19 116.11 1k6t n GLY 78 Ca -0.20 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1k6t n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k6t n PRO 79 N -0.48 2.11 -3.82 1.61 -0.04 -1.26 -2.15 135.00 130.97 1k6t n PRO 79 Ca 0.00 -2.20 -0.37 0.00 -0.04 0.00 0.00 63.50 60.90 1k6t n PRO 79 Cb 0.35 -3.09 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 1k6t n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k6t s THR 80 N 4.26 5.44 0.46 0.52 -1.32 -1.26 -4.98 115.64 118.76 1k6t s THR 80 Ca 0.53 0.29 0.35 0.00 -1.21 0.00 0.00 61.69 61.65 1k6t s THR 80 Cb 0.14 -3.45 0.37 0.00 -1.51 0.00 0.00 72.50 68.06 1k6t s THR 80 CO 0.03 0.60 2.18 1.55 -2.21 0.00 0.00 174.62 176.77 1k6t h PRO 81 N 5.06 0.00 -3.48 7.08 0.13 -1.98 -3.42 132.00 135.38 1k6t h PRO 81 Ca -0.54 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 1k6t h PRO 81 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1k6t h PRO 81 CO 0.60 0.04 -0.23 -0.08 -0.23 0.00 0.00 178.00 178.09 1k6t s THR 82 N -4.13 0.10 0.24 1.56 -1.32 -1.26 -5.06 115.64 105.76 1k6t s THR 82 Ca -0.03 -0.80 -0.30 0.00 -1.21 0.00 0.00 61.69 59.35 1k6t s THR 82 Cb 0.13 -1.13 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1k6t s THR 82 CO 0.51 -0.44 1.04 0.20 -2.21 0.00 0.00 174.62 173.72 1k6t s ASN 83 N -2.52 7.41 -0.08 8.08 0.01 -1.26 -4.61 114.94 121.97 1k6t s ASN 83 Ca 0.00 2.11 -0.01 0.00 -0.71 0.00 0.00 52.86 54.25 1k6t s ASN 83 Cb 0.02 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1k6t s ASN 83 CO -0.08 -0.05 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.74 1k6t s VAL 84 N -0.93 0.59 -0.38 1.60 1.01 0.14 -1.75 120.40 120.68 1k6t s VAL 84 Ca 0.44 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1k6t s VAL 84 Cb -0.29 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1k6t s VAL 84 CO 0.36 0.28 0.43 -0.63 0.00 0.00 0.00 175.10 175.55 1k6t s ILE 85 N 1.66 5.09 0.54 2.22 -1.09 -0.52 -0.56 121.20 128.54 1k6t s ILE 85 Ca 0.01 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1k6t s ILE 85 Cb -0.13 -3.95 0.12 0.00 -1.58 0.00 0.00 42.46 36.92 1k6t s ILE 85 CO -0.05 -0.26 0.74 0.61 -1.23 0.00 0.00 174.94 174.75 1k6t n GLY 86 N 4.98 -0.11 0.27 6.18 0.00 -1.09 -1.99 105.19 113.44 1k6t n GLY 86 Ca -0.07 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.11 1k6t n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k6t h ARG 87 N 0.00 0.27 -0.44 1.61 3.08 -1.20 -1.51 114.38 116.18 1k6t h ARG 87 Ca -0.24 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.87 1k6t h ARG 87 Cb 0.80 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1k6t h ARG 87 CO 0.22 0.23 0.31 -2.95 -1.07 0.00 0.00 179.97 176.71 1k6t h ASN 88 N 0.27 0.16 0.08 7.04 -1.07 -1.83 -2.01 115.58 118.23 1k6t h ASN 88 Ca 0.07 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.08 1k6t h ASN 88 Cb 0.07 -0.03 -0.07 0.00 -2.07 0.00 0.00 38.32 36.22 1k6t h ASN 88 CO -0.01 0.10 -2.28 0.18 0.07 0.00 0.00 177.43 175.49 1k6t n LEU 89 N -4.45 0.33 -0.26 6.14 4.77 -0.92 -4.29 117.00 118.32 1k6t n LEU 89 Ca 0.07 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1k6t n LEU 89 Cb 0.39 0.35 0.17 0.00 -2.33 0.00 0.00 43.42 42.00 1k6t n LEU 89 CO 0.35 0.51 1.19 -0.07 -1.33 0.00 0.00 177.39 178.04 1k6t h LEU 90 N 0.00 0.97 -1.29 2.23 3.38 -0.84 -1.91 115.31 117.86 1k6t h LEU 90 Ca -0.51 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1k6t h LEU 90 Cb 2.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 1k6t h LEU 90 CO 0.03 0.76 0.07 0.71 0.09 0.00 0.00 178.44 180.11 1k6t h THR 91 N 1.11 1.18 -0.06 0.22 1.35 -1.58 -2.11 112.91 113.02 1k6t h THR 91 Ca 0.29 -0.66 -0.04 0.00 -0.55 0.00 0.00 66.41 65.44 1k6t h THR 91 Cb -0.02 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 1k6t h THR 91 CO -0.05 0.24 -0.16 1.56 -0.25 0.00 0.00 175.52 176.85 1k6t h GLN 92 N 0.55 0.09 -0.60 4.72 1.08 -1.53 -2.31 115.11 117.11 1k6t h GLN 92 Ca 0.13 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1k6t h GLN 92 Cb 0.24 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1k6t h GLN 92 CO -0.00 0.26 0.00 0.44 -0.95 0.00 0.00 178.83 178.58 1k6t n ILE 93 N -4.30 2.57 -3.12 2.54 -5.35 -1.00 -4.94 119.36 105.75 1k6t n ILE 93 Ca -0.02 -1.34 -0.23 0.00 -0.27 0.00 0.00 62.75 60.89 1k6t n ILE 93 Cb 0.25 -0.21 0.03 0.00 -1.74 0.00 0.00 39.64 37.98 1k6t n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k6t n GLY 94 N 0.72 -0.52 3.73 3.28 0.00 -0.87 -4.96 105.19 106.58 1k6t n GLY 94 Ca 0.27 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 1k6t n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k6t s THR 96 N -0.07 1.27 -0.15 0.00 -4.23 -1.26 -4.72 115.64 106.48 1k6t s THR 96 Ca 0.47 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1k6t s THR 96 Cb -0.24 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1k6t s THR 96 CO 0.30 -0.46 0.00 -0.22 -0.54 0.00 0.00 174.62 173.70 1k6t s LEU 97 N -3.30 3.50 -0.01 4.79 2.96 -1.26 -5.10 118.68 120.26 1k6t s LEU 97 Ca 0.25 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1k6t s LEU 97 Cb 0.04 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1k6t s LEU 97 CO 0.07 0.21 -0.04 0.20 -1.32 0.00 0.00 176.35 175.47 1k6t s ASN 98 N 0.15 0.54 0.00 3.68 -0.87 -1.26 -5.30 114.94 111.88 1k6t s ASN 98 Ca 0.01 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.23 1k6t s ASN 98 Cb -0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 1k6t s ASN 98 CO 0.02 0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.79