#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 3.72 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.13 1k6t s GLN 2 Ca 0.00 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 1k6t s GLN 2 Cb 0.00 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 1k6t s GLN 2 CO 0.00 0.02 -0.09 0.42 -0.55 0.00 0.00 175.29 175.09 1k6t s ILE 3 N 1.02 3.13 0.69 -2.34 1.01 -1.26 -5.11 121.20 118.34 1k6t s ILE 3 Ca 0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1k6t s ILE 3 Cb -0.14 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.00 1k6t s ILE 3 CO 0.02 0.48 1.02 0.42 0.00 0.00 0.00 174.94 176.88 1k6t s THR 4 N 1.01 2.68 -0.24 2.92 -4.23 -1.26 -5.03 115.64 111.48 1k6t s THR 4 Ca -0.01 -0.10 0.10 0.00 -1.18 0.00 0.00 61.69 60.51 1k6t s THR 4 Cb -0.15 -3.15 0.46 0.00 1.34 0.00 0.00 72.50 71.00 1k6t s THR 4 CO -0.01 -0.17 1.34 0.18 -0.54 0.00 0.00 174.62 175.42 1k6t n LEU 5 N -2.90 3.39 0.24 4.79 4.77 -1.26 -4.56 117.00 121.47 1k6t n LEU 5 Ca 0.07 -3.79 0.15 0.00 -0.03 0.00 0.00 56.01 52.41 1k6t n LEU 5 Cb 0.60 -0.58 0.44 0.00 -2.33 0.00 0.00 43.42 41.55 1k6t n LEU 5 CO 0.53 1.29 0.90 -0.50 -1.33 0.00 0.00 177.39 178.29 1k6t h TRP 6 N 0.98 0.00 -3.29 -1.77 4.06 -2.06 -3.44 115.95 110.42 1k6t h TRP 6 Ca 0.10 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.68 1k6t h TRP 6 Cb 1.32 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.33 1k6t h TRP 6 CO 0.85 0.00 -0.73 0.15 -3.56 0.00 0.00 178.44 175.15 1k6t s LYS 7 N -3.44 1.12 0.26 0.49 1.02 -1.26 -5.11 119.74 112.82 1k6t s LYS 7 Ca 0.04 -1.45 -0.31 0.00 0.02 0.00 0.00 55.97 54.28 1k6t s LYS 7 Cb 0.07 -0.79 -0.13 0.00 -0.52 0.00 0.00 37.83 36.46 1k6t s LYS 7 CO 0.60 0.12 1.39 0.54 -0.92 0.00 0.00 175.35 177.08 1k6t n ARG 8 N -0.12 2.08 -2.51 1.68 1.74 -1.26 -4.83 116.66 113.43 1k6t n ARG 8 Ca -0.11 0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 57.30 1k6t n ARG 8 Cb 0.60 -2.38 -0.01 0.00 -1.02 0.00 0.00 32.46 29.65 1k6t n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1k6t s PRO 9 N -0.68 3.75 0.01 5.56 0.04 -1.26 -4.95 135.00 137.48 1k6t s PRO 9 Ca 0.66 -1.77 -0.08 0.00 0.04 0.00 0.00 61.00 59.84 1k6t s PRO 9 Cb -0.63 -5.48 -0.05 0.00 0.04 0.00 0.00 34.50 28.38 1k6t s PRO 9 CO 0.52 -2.46 0.30 -0.51 0.04 0.00 0.00 177.00 174.89 1k6t s LEU 10 N 5.16 4.38 0.09 -3.56 1.43 -1.26 -0.48 118.68 124.44 1k6t s LEU 10 Ca 0.55 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 54.25 1k6t s LEU 10 Cb 0.03 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1k6t s LEU 10 CO 0.06 0.25 0.09 0.68 0.23 0.00 0.00 176.35 177.67 1k6t s VAL 11 N -1.28 0.16 -0.02 -1.59 -7.23 0.43 -4.95 120.40 105.91 1k6t s VAL 11 Ca 0.27 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 1k6t s VAL 11 Cb -0.14 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1k6t s VAL 11 CO 0.15 -0.71 0.46 -0.89 -0.31 0.00 0.00 175.10 173.81 1k6t s THR 12 N -3.93 5.02 0.16 5.32 2.01 -1.26 -0.35 115.64 122.61 1k6t s THR 12 Ca 0.11 0.95 0.09 0.00 0.31 0.00 0.00 61.69 63.15 1k6t s THR 12 Cb 0.06 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1k6t s THR 12 CO -0.07 0.49 -0.19 0.27 -0.69 0.00 0.00 174.62 174.43 1k6t s ILE 13 N -0.52 1.85 -0.21 1.82 -4.36 0.12 -2.01 121.20 117.88 1k6t s ILE 13 Ca 0.25 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1k6t s ILE 13 Cb -0.17 -1.84 0.03 0.00 1.25 0.00 0.00 42.46 41.73 1k6t s ILE 13 CO 0.13 -0.29 -0.16 -0.60 0.24 0.00 0.00 174.94 174.27 1k6t s ARG 14 N -2.73 2.80 -0.13 0.37 3.52 -0.13 -0.90 118.95 121.75 1k6t s ARG 14 Ca 0.15 -0.97 -0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1k6t s ARG 14 Cb -0.06 -2.70 0.05 0.00 -1.56 0.00 0.00 34.95 30.67 1k6t s ARG 14 CO 0.07 -0.32 0.03 -1.50 -0.81 0.00 0.00 175.30 172.77 1k6t s ILE 15 N 1.25 0.35 -1.08 4.11 1.10 0.47 -1.65 121.20 125.75 1k6t s ILE 15 Ca 0.01 -0.18 -0.06 0.00 -0.51 0.00 0.00 60.65 59.92 1k6t s ILE 15 Cb -0.15 -0.72 0.01 0.00 0.15 0.00 0.00 42.46 41.75 1k6t s ILE 15 CO -0.10 -0.01 0.78 0.61 -2.11 0.00 0.00 174.94 174.11 1k6t n GLY 16 N 5.13 -0.20 2.33 1.50 0.00 -1.26 -2.05 105.19 110.64 1k6t n GLY 16 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.57 0.66 3.25 -0.02 0.00 -1.26 -4.99 105.19 101.26 1k6t n GLY 17 Ca -0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1k6t n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k6t s GLN 18 N -1.74 2.58 0.19 1.61 2.00 -0.87 -5.13 119.66 118.30 1k6t s GLN 18 Ca 0.00 -0.88 -0.11 0.00 -2.00 0.00 0.00 55.36 52.36 1k6t s GLN 18 Cb 0.00 -2.15 -0.07 0.00 0.80 0.00 0.00 33.01 31.59 1k6t s GLN 18 CO 0.00 0.34 0.54 -0.51 -0.50 0.00 0.00 175.29 175.16 1k6t s LEU 19 N -0.07 4.24 0.23 3.68 1.43 -1.26 -0.39 118.68 126.54 1k6t s LEU 19 Ca -0.06 0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 1k6t s LEU 19 Cb -0.14 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1k6t s LEU 19 CO 0.04 0.01 0.59 -0.54 0.23 0.00 0.00 176.35 176.69 1k6t s LYS 20 N -2.44 1.55 -0.06 1.70 1.02 -0.08 -4.96 119.74 116.47 1k6t s LYS 20 Ca 0.43 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1k6t s LYS 20 Cb -0.13 0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 37.70 1k6t s LYS 20 CO 0.20 -0.68 -0.08 -2.00 -0.92 0.00 0.00 175.35 171.87 1k6t s GLU 21 N -3.90 2.69 0.08 1.68 2.12 -1.26 0.12 118.70 120.22 1k6t s GLU 21 Ca 0.11 -0.58 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1k6t s GLU 21 Cb -0.03 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 1k6t s GLU 21 CO 0.02 0.66 0.07 0.00 -0.54 0.00 0.00 175.26 175.46 1k6t s ALA 22 N -0.80 0.28 -0.19 6.30 0.00 0.53 -4.55 121.76 123.32 1k6t s ALA 22 Ca 0.12 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1k6t s ALA 22 Cb -0.11 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1k6t s ALA 22 CO 0.01 -0.44 0.08 -1.17 0.00 0.00 0.00 175.76 174.24 1k6t s LEU 23 N -2.92 3.85 -0.45 0.00 2.96 -0.26 -0.43 118.68 121.44 1k6t s LEU 23 Ca 0.09 0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 1k6t s LEU 23 Cb 0.07 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1k6t s LEU 23 CO -0.09 0.15 1.32 -0.76 -1.32 0.00 0.00 176.35 175.66 1k6t s LEU 24 N 0.49 3.58 -0.34 -0.68 1.43 0.36 -1.29 118.68 122.24 1k6t s LEU 24 Ca 0.04 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1k6t s LEU 24 Cb -0.12 -3.50 0.10 0.00 0.03 0.00 0.00 46.19 42.69 1k6t s LEU 24 CO 0.01 -1.40 0.05 -0.62 0.23 0.00 0.00 176.35 174.62 1k6t s ASP 25 N 3.50 4.70 0.33 2.29 2.15 -0.85 -4.80 116.67 123.99 1k6t s ASP 25 Ca 0.56 -2.11 0.26 0.00 0.43 0.00 0.00 52.55 51.70 1k6t s ASP 25 Cb -0.11 -1.57 1.03 0.00 -0.30 0.00 0.00 42.92 41.98 1k6t s ASP 25 CO 0.32 -0.38 1.78 0.71 -0.17 0.00 0.00 175.17 177.43 1k6t h THR 26 N 6.60 0.00 -0.01 1.71 1.35 -1.93 -2.71 112.91 117.92 1k6t h THR 26 Ca -0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1k6t h THR 26 Cb 1.02 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1k6t h THR 26 CO 0.52 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 176.29 1k6t n GLY 27 N 0.19 -0.54 3.68 5.82 0.00 -1.26 -4.81 105.19 108.27 1k6t n GLY 27 Ca 0.02 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.28 3.61 0.13 4.61 0.00 -1.02 -4.97 121.76 121.83 1k6t s ALA 28 Ca 0.32 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 1k6t s ALA 28 Cb 0.20 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 21.01 1k6t s ALA 28 CO 0.43 -0.04 1.40 -0.44 0.00 0.00 0.00 175.76 177.12 1k6t h ASP 29 N 7.15 0.96 -0.43 0.00 3.32 -1.87 -1.44 116.42 124.12 1k6t h ASP 29 Ca -0.39 -0.53 -0.66 0.00 0.02 0.00 0.00 57.03 55.47 1k6t h ASP 29 Cb 1.16 -0.28 -0.12 0.00 0.22 0.00 0.00 39.33 40.32 1k6t h ASP 29 CO 0.70 1.32 -0.49 -1.81 -1.72 0.00 0.00 179.24 177.24 1k6t s ASP 30 N -6.96 4.20 -0.20 6.45 1.01 -1.26 -2.97 116.67 116.93 1k6t s ASP 30 Ca -0.10 -1.58 -0.06 0.00 0.71 0.00 0.00 52.55 51.51 1k6t s ASP 30 Cb 0.10 0.48 -0.03 0.00 1.01 0.00 0.00 42.92 44.48 1k6t s ASP 30 CO 0.89 -0.88 0.02 -0.89 0.21 0.00 0.00 175.17 174.52 1k6t s THR 31 N -2.86 4.12 -0.07 -1.27 2.01 -1.26 -3.11 115.64 113.21 1k6t s THR 31 Ca 0.11 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1k6t s THR 31 Cb 0.01 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1k6t s THR 31 CO 0.06 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.59 1k6t s VAL 32 N 1.00 1.21 0.21 3.82 1.01 -0.77 -0.77 120.40 126.10 1k6t s VAL 32 Ca 0.02 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.57 1k6t s VAL 32 Cb -0.14 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1k6t s VAL 32 CO 0.02 0.37 -0.11 -0.76 0.00 0.00 0.00 175.10 174.62 1k6t s LEU 33 N 0.61 2.90 0.76 3.92 1.43 0.59 -0.75 118.68 128.14 1k6t s LEU 33 Ca -0.14 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 1k6t s LEU 33 Cb -0.16 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1k6t s LEU 33 CO 0.04 0.08 1.13 -1.84 0.23 0.00 0.00 176.35 175.99 1k6t n GLU 34 N -0.15 0.42 -1.63 1.70 0.28 -1.26 -2.06 120.64 117.94 1k6t n GLU 34 Ca -0.10 0.21 -0.49 0.00 -0.16 0.00 0.00 57.16 56.63 1k6t n GLU 34 Cb 0.57 -2.37 -0.05 0.00 1.43 0.00 0.00 31.44 31.01 1k6t n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1k6t n GLU 35 N -2.58 1.68 -3.81 3.44 1.02 -1.14 -4.54 120.64 114.70 1k6t n GLU 35 Ca 0.14 0.61 -0.05 0.00 -0.02 0.00 0.00 57.16 57.83 1k6t n GLU 35 Cb 0.50 -2.31 -0.01 0.00 -0.02 0.00 0.00 31.44 29.61 1k6t n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k6t s MET 36 N 0.62 1.53 -0.12 3.49 0.23 -1.26 -5.01 119.30 118.77 1k6t s MET 36 Ca 0.80 -0.89 -0.14 0.00 -1.03 0.00 0.00 55.69 54.43 1k6t s MET 36 Cb -0.80 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 32.95 1k6t s MET 36 CO 0.43 -0.71 0.33 -0.80 -2.03 0.00 0.00 175.02 172.24 1k6t s ASN 37 N -3.01 6.54 -0.01 -1.18 0.01 -1.26 -5.05 114.94 110.98 1k6t s ASN 37 Ca 0.13 0.64 0.01 0.00 -0.71 0.00 0.00 52.86 52.93 1k6t s ASN 37 Cb -0.03 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1k6t s ASN 37 CO 0.05 0.14 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.98 1k6t s LEU 38 N 0.12 1.89 0.84 0.60 1.43 -1.26 -5.07 118.68 117.24 1k6t s LEU 38 Ca 0.19 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1k6t s LEU 38 Cb -0.14 -0.27 0.10 0.00 0.03 0.00 0.00 46.19 45.91 1k6t s LEU 38 CO 0.07 0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 1k6t s PRO 39 N 0.05 1.67 0.00 1.29 0.04 -1.26 -4.92 135.00 131.87 1k6t s PRO 39 Ca -0.00 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1k6t s PRO 39 Cb -0.04 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1k6t s PRO 39 CO -0.00 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1k6t n GLY 40 N -1.10 0.10 3.83 0.56 0.00 -1.26 -4.98 105.19 102.34 1k6t n GLY 40 Ca 0.08 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1k6t n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k6t s ARG 41 N -1.72 4.13 0.07 1.61 3.52 -1.26 -5.09 118.95 120.21 1k6t s ARG 41 Ca 0.00 0.78 0.05 0.00 -0.13 0.00 0.00 55.73 56.43 1k6t s ARG 41 Cb 0.00 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.71 1k6t s ARG 41 CO 0.00 0.27 -0.15 1.67 -0.81 0.00 0.00 175.30 176.28 1k6t s TRP 42 N -1.76 1.27 -0.00 5.12 1.48 -1.26 -4.63 118.94 119.16 1k6t s TRP 42 Ca 0.49 -0.44 0.05 0.00 -1.06 0.00 0.00 56.10 55.14 1k6t s TRP 42 Cb -0.13 -0.72 -0.03 0.00 -1.16 0.00 0.00 33.47 31.43 1k6t s TRP 42 CO 0.19 0.07 -0.15 -1.59 -4.06 0.00 0.00 176.95 171.41 1k6t s LYS 43 N -1.65 2.32 0.36 3.25 -2.85 -0.97 -4.84 119.74 115.36 1k6t s LYS 43 Ca -0.01 -0.83 -0.27 0.00 -1.00 0.00 0.00 55.97 53.86 1k6t s LYS 43 Cb -0.10 -2.31 -0.09 0.00 -2.06 0.00 0.00 37.83 33.27 1k6t s LYS 43 CO 0.02 0.58 1.25 -2.14 0.10 0.00 0.00 175.35 175.17 1k6t s PRO 44 N -1.15 4.21 0.14 1.78 0.02 -1.26 -0.52 135.00 138.21 1k6t s PRO 44 Ca 0.14 2.07 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 1k6t s PRO 44 Cb -0.11 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.52 1k6t s PRO 44 CO 0.04 -0.26 0.33 0.21 -0.33 0.00 0.00 177.00 176.99 1k6t s LYS 45 N -2.00 1.08 -0.04 5.54 2.20 -0.23 -4.87 119.74 121.43 1k6t s LYS 45 Ca 0.52 -0.93 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1k6t s LYS 45 Cb -0.36 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1k6t s LYS 45 CO 0.47 -0.41 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.30 1k6t s MET 46 N -3.87 1.28 0.05 4.03 -1.94 -1.26 -0.35 119.30 117.24 1k6t s MET 46 Ca 0.08 -0.40 0.05 0.00 -1.71 0.00 0.00 55.69 53.72 1k6t s MET 46 Cb 0.03 -1.15 -0.02 0.00 2.01 0.00 0.00 34.83 35.69 1k6t s MET 46 CO -0.07 0.14 -0.15 0.96 -0.01 0.00 0.00 175.02 175.88 1k6t s ILE 47 N 0.22 1.22 0.18 2.53 -4.36 -0.93 -4.96 121.20 115.09 1k6t s ILE 47 Ca -0.05 -1.10 0.09 0.00 -0.26 0.00 0.00 60.65 59.33 1k6t s ILE 47 Cb -0.10 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 1k6t s ILE 47 CO 0.01 -0.01 -0.12 -0.83 0.24 0.00 0.00 174.94 174.24 1k6t s GLY 48 N -1.28 1.73 0.00 6.27 0.00 -1.26 -1.08 107.32 111.69 1k6t s GLY 48 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1k6t s GLY 48 CO 0.02 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1k6t n GLY 49 N 0.10 3.89 0.12 0.20 0.00 0.76 -4.96 105.19 105.29 1k6t n GLY 49 Ca -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 1k6t n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k6t h ILE 50 N 0.16 0.00 0.00 -0.61 1.08 -2.03 -2.45 117.51 113.66 1k6t h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1k6t h ILE 50 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1k6t h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1k6t n GLY 51 N -1.10 -0.52 0.00 5.37 0.00 -1.26 -4.97 105.19 102.72 1k6t n GLY 51 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.03 0.70 3.77 -0.02 0.00 -0.92 -5.09 105.19 103.65 1k6t n GLY 52 Ca 0.08 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.43 3.12 0.13 1.61 0.40 -1.26 -0.17 117.98 120.38 1k6t s PHE 53 Ca 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1k6t s PHE 53 Cb 0.00 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1k6t s PHE 53 CO 0.00 0.52 -0.03 0.96 0.70 0.00 0.00 175.22 177.37 1k6t s ILE 54 N -1.59 0.61 -0.15 0.64 -4.36 -0.24 -4.98 121.20 111.12 1k6t s ILE 54 Ca 0.30 -1.95 -0.10 0.00 -0.26 0.00 0.00 60.65 58.64 1k6t s ILE 54 Cb -0.11 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 1k6t s ILE 54 CO 0.22 -0.68 0.18 -0.54 0.24 0.00 0.00 174.94 174.36 1k6t s LYS 55 N -3.89 3.93 0.18 0.37 1.02 -1.26 -2.19 119.74 117.90 1k6t s LYS 55 Ca 0.18 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.09 1k6t s LYS 55 Cb 0.06 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 1k6t s LYS 55 CO -0.01 0.48 0.04 0.14 -0.92 0.00 0.00 175.35 175.07 1k6t s VAL 56 N -0.18 0.48 -0.14 3.17 -7.23 0.53 -4.46 120.40 112.57 1k6t s VAL 56 Ca 0.13 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1k6t s VAL 56 Cb -0.12 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1k6t s VAL 56 CO 0.02 -0.38 0.10 -0.13 -0.31 0.00 0.00 175.10 174.40 1k6t s ARG 57 N -3.98 3.59 -0.26 4.82 0.52 0.52 -1.06 118.95 123.10 1k6t s ARG 57 Ca 0.27 -0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1k6t s ARG 57 Cb 0.07 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 1k6t s ARG 57 CO 0.05 0.58 0.09 -1.14 0.02 0.00 0.00 175.30 174.91 1k6t s GLN 58 N -0.48 3.60 -0.13 3.54 0.74 0.32 -0.94 119.66 126.30 1k6t s GLN 58 Ca 0.11 -0.52 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 1k6t s GLN 58 Cb -0.12 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 1k6t s GLN 58 CO 0.02 -0.24 -0.05 0.71 -0.55 0.00 0.00 175.29 175.18 1k6t s TYR 59 N 1.62 3.00 0.22 1.67 1.51 0.22 -2.29 117.35 123.30 1k6t s TYR 59 Ca 0.06 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 1k6t s TYR 59 Cb -0.16 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1k6t s TYR 59 CO 0.04 0.07 0.25 -0.51 -1.11 0.00 0.00 175.55 174.30 1k6t s ASP 60 N 0.02 5.92 -1.44 2.29 1.01 -1.26 -0.45 116.67 122.76 1k6t s ASP 60 Ca 0.00 -0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.16 1k6t s ASP 60 Cb -0.13 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.16 1k6t s ASP 60 CO 0.03 -0.02 0.28 0.00 0.21 0.00 0.00 175.17 175.67 1k6t n GLN 61 N -1.01 -1.93 -3.52 8.23 6.02 -1.22 -4.90 117.38 119.05 1k6t n GLN 61 Ca -0.08 0.25 -0.37 0.00 -0.01 0.00 0.00 57.00 56.79 1k6t n GLN 61 Cb 0.56 -3.94 -0.07 0.00 1.02 0.00 0.00 30.24 27.81 1k6t n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k6t s ILE 62 N -4.08 5.29 0.00 5.09 -1.09 -0.51 -4.75 121.20 121.15 1k6t s ILE 62 Ca 0.07 0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 1k6t s ILE 62 Cb -0.03 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1k6t s ILE 62 CO 0.94 0.36 1.14 -2.84 -1.23 0.00 0.00 174.94 173.31 1k6t s PRO 63 N 0.70 4.44 -0.05 2.79 0.02 -1.26 -2.21 135.00 139.42 1k6t s PRO 63 Ca 0.16 1.64 -0.04 0.00 0.02 0.00 0.00 61.00 62.78 1k6t s PRO 63 Cb -0.13 -3.45 0.02 0.00 0.02 0.00 0.00 34.50 30.96 1k6t s PRO 63 CO 0.05 -0.27 0.13 -1.50 -0.33 0.00 0.00 177.00 175.08 1k6t s ILE 64 N 1.44 -0.02 -0.25 2.83 2.07 0.34 -4.52 121.20 123.10 1k6t s ILE 64 Ca 0.56 0.06 -0.09 0.00 -1.41 0.00 0.00 60.65 59.77 1k6t s ILE 64 Cb -0.25 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 1k6t s ILE 64 CO 0.26 0.02 0.11 -0.70 -1.91 0.00 0.00 174.94 172.73 1k6t s GLU 65 N 0.44 3.83 -0.31 3.50 2.12 -0.66 -1.12 118.70 126.51 1k6t s GLU 65 Ca -0.03 -0.39 -0.00 0.00 0.36 0.00 0.00 54.97 54.90 1k6t s GLU 65 Cb -0.04 -3.42 0.06 0.00 0.26 0.00 0.00 34.13 30.98 1k6t s GLU 65 CO -0.02 -0.09 -0.00 0.42 -0.54 0.00 0.00 175.26 175.03 1k6t s ILE 66 N 1.41 2.80 -1.58 -3.70 1.01 0.14 -0.95 121.20 120.33 1k6t s ILE 66 Ca 0.06 -1.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.00 1k6t s ILE 66 Cb -0.15 -2.68 0.10 0.00 0.01 0.00 0.00 42.46 39.75 1k6t s ILE 66 CO 0.05 -0.18 0.89 0.00 0.00 0.00 0.00 174.94 175.70 1k6t n GLY 68 N -1.61 3.29 3.78 0.00 0.00 -1.26 -5.04 105.19 104.34 1k6t n GLY 68 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.43 3.50 0.36 1.61 3.76 -0.44 -5.07 115.29 116.58 1k6t s HIS 69 Ca 0.00 0.52 -0.25 0.00 -0.15 0.00 0.00 55.06 55.18 1k6t s HIS 69 Cb 0.00 -2.17 -0.10 0.00 1.11 0.00 0.00 32.58 31.42 1k6t s HIS 69 CO 0.00 0.42 0.97 0.15 -0.85 0.00 0.00 174.74 175.43 1k6t s LYS 70 N -0.08 4.42 0.04 1.40 1.02 -1.26 -0.69 119.74 124.60 1k6t s LYS 70 Ca 0.14 1.32 -0.14 0.00 0.02 0.00 0.00 55.97 57.31 1k6t s LYS 70 Cb -0.12 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1k6t s LYS 70 CO 0.03 0.13 0.31 0.00 -0.92 0.00 0.00 175.35 174.90 1k6t s ALA 71 N -1.74 -0.72 -0.20 5.17 0.00 -0.27 -4.76 121.76 119.24 1k6t s ALA 71 Ca 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 1k6t s ALA 71 Cb -0.17 0.32 0.09 0.00 0.00 0.00 0.00 23.12 23.35 1k6t s ALA 71 CO 0.22 -0.41 0.21 0.42 0.00 0.00 0.00 175.76 176.20 1k6t s ILE 72 N -2.51 -0.30 0.00 0.00 1.01 -1.26 -0.51 121.20 117.64 1k6t s ILE 72 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1k6t s ILE 72 Cb -0.01 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1k6t s ILE 72 CO -0.03 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1k6t n GLY 73 N 5.31 1.59 3.72 6.18 0.00 -0.94 -4.80 105.19 116.26 1k6t n GLY 73 Ca -0.06 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.71 3.37 -0.08 2.61 2.01 -1.26 -1.43 115.64 118.15 1k6t s THR 74 Ca 0.00 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.06 1k6t s THR 74 Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1k6t s THR 74 CO 0.00 0.11 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.20 1k6t s VAL 75 N 0.66 1.39 -0.10 3.82 1.01 0.41 -4.57 120.40 123.02 1k6t s VAL 75 Ca 0.60 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1k6t s VAL 75 Cb -0.36 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1k6t s VAL 75 CO 0.33 0.41 0.07 -0.76 0.00 0.00 0.00 175.10 175.16 1k6t s LEU 76 N 0.73 4.00 -0.06 3.92 1.43 0.05 -0.61 118.68 128.14 1k6t s LEU 76 Ca -0.13 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1k6t s LEU 76 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1k6t s LEU 76 CO 0.03 0.39 -0.16 -0.69 0.23 0.00 0.00 176.35 176.15 1k6t s VAL 77 N -0.96 1.40 -0.00 -1.59 1.01 -0.12 -0.30 120.40 119.84 1k6t s VAL 77 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1k6t s VAL 77 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1k6t s VAL 77 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1k6t n GLY 78 N 3.44 -1.22 2.56 4.51 0.00 -0.87 -0.35 105.19 113.25 1k6t n GLY 78 Ca -0.20 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.00 2.14 -3.29 1.61 -0.04 -1.26 -2.87 135.00 131.29 1k6t n PRO 79 Ca 0.00 -1.45 -0.36 0.00 -0.04 0.00 0.00 63.50 61.66 1k6t n PRO 79 Cb 0.00 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 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 3.20 4.78 0.24 0.52 -1.32 -1.26 -4.97 115.64 116.83 1k6t s THR 80 Ca 0.42 0.96 0.36 0.00 -1.21 0.00 0.00 61.69 62.22 1k6t s THR 80 Cb 0.11 -3.77 0.38 0.00 -1.51 0.00 0.00 72.50 67.71 1k6t s THR 80 CO -0.03 0.25 2.08 -0.65 -2.21 0.00 0.00 174.62 174.06 1k6t h PRO 81 N 3.58 0.00 -2.21 7.08 0.11 -1.98 -3.45 132.00 135.14 1k6t h PRO 81 Ca -0.48 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k6t h PRO 81 Cb 1.19 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1k6t h PRO 81 CO 0.65 0.00 0.34 -0.08 -0.21 0.00 0.00 178.00 178.71 1k6t s THR 82 N -3.82 0.00 0.04 -1.15 -1.32 -1.26 -5.10 115.64 103.03 1k6t s THR 82 Ca -0.01 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.16 1k6t s THR 82 Cb 0.10 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.03 1k6t s THR 82 CO 0.44 0.00 1.36 0.20 -2.21 0.00 0.00 174.62 174.41 1k6t s ASN 83 N -1.84 6.88 -0.02 8.08 0.01 -1.26 -4.73 114.94 122.06 1k6t s ASN 83 Ca -0.03 2.15 0.05 0.00 -0.71 0.00 0.00 52.86 54.33 1k6t s ASN 83 Cb -0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 1k6t s ASN 83 CO -0.02 -0.66 -0.17 0.68 -1.51 0.00 0.00 177.10 175.42 1k6t s VAL 84 N 1.83 1.39 -0.34 1.60 -7.23 0.07 -1.10 120.40 116.62 1k6t s VAL 84 Ca 0.63 -0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 59.97 1k6t s VAL 84 Cb -0.32 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.46 1k6t s VAL 84 CO 0.28 0.39 0.18 -0.63 -0.31 0.00 0.00 175.10 175.01 1k6t s ILE 85 N -0.26 4.59 0.72 -0.62 -1.09 -0.41 -1.85 121.20 122.27 1k6t s ILE 85 Ca 0.03 -0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 57.76 1k6t s ILE 85 Cb -0.08 -3.44 0.15 0.00 -1.58 0.00 0.00 42.46 37.51 1k6t s ILE 85 CO 0.00 -0.07 0.98 0.61 -1.23 0.00 0.00 174.94 175.23 1k6t n GLY 86 N 4.99 -0.36 0.26 6.18 0.00 -1.18 -2.02 105.19 113.05 1k6t n GLY 86 Ca -0.13 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 -0.24 1.61 3.08 -1.26 -1.18 114.38 116.39 1k6t h ARG 87 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1k6t h ARG 87 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1k6t h ARG 87 CO 0.28 0.06 0.15 -2.95 -1.07 0.00 0.00 179.97 176.44 1k6t h ASN 88 N 0.00 0.28 0.03 7.04 -1.07 -1.81 -1.87 115.58 118.17 1k6t h ASN 88 Ca -0.00 -0.01 -0.29 0.00 0.07 0.00 0.00 56.30 56.07 1k6t h ASN 88 Cb 0.12 -0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 36.25 1k6t h ASN 88 CO 0.01 0.21 -2.27 0.18 0.07 0.00 0.00 177.43 175.62 1k6t n LEU 89 N -4.49 0.04 -0.24 6.14 4.77 -0.95 -4.10 117.00 118.16 1k6t n LEU 89 Ca 0.01 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1k6t n LEU 89 Cb 0.08 0.38 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 1k6t n LEU 89 CO 0.35 0.39 1.16 -0.07 -1.33 0.00 0.00 177.39 177.88 1k6t h LEU 90 N 0.00 0.95 -1.00 2.23 3.38 -0.99 -1.48 115.31 118.40 1k6t h LEU 90 Ca -0.42 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1k6t h LEU 90 Cb 1.97 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1k6t h LEU 90 CO 0.03 0.76 -0.37 0.71 0.09 0.00 0.00 178.44 179.66 1k6t h THR 91 N 1.07 1.29 -0.05 0.22 1.35 -1.54 -1.45 112.91 113.80 1k6t h THR 91 Ca 0.27 -1.41 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1k6t h THR 91 Cb 0.03 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1k6t h THR 91 CO -0.04 0.43 -0.14 1.56 -0.25 0.00 0.00 175.52 177.07 1k6t h GLN 92 N 0.22 0.08 -0.65 4.72 4.20 -1.42 -2.24 115.11 120.02 1k6t h GLN 92 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1k6t h GLN 92 Cb 0.75 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1k6t h GLN 92 CO 0.06 0.23 0.00 0.44 -0.67 0.00 0.00 178.83 178.89 1k6t n ILE 93 N -4.33 1.87 -3.02 2.54 -5.35 -1.08 -4.95 119.36 105.04 1k6t n ILE 93 Ca -0.02 -1.16 -0.18 0.00 -0.27 0.00 0.00 62.75 61.12 1k6t n ILE 93 Cb 0.23 0.06 0.04 0.00 -1.74 0.00 0.00 39.64 38.24 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 1.08 -0.23 3.75 3.28 0.00 -0.84 -4.99 105.19 107.23 1k6t n GLY 94 Ca 0.25 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.67 0.28 -0.12 0.00 -4.23 -1.26 -4.74 115.64 104.91 1k6t s THR 96 Ca 0.42 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1k6t s THR 96 Cb -0.24 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1k6t s THR 96 CO 0.30 -0.72 0.03 -0.76 -0.54 0.00 0.00 174.62 172.92 1k6t s LEU 97 N -3.01 3.74 0.03 4.79 1.43 -1.26 -5.10 118.68 119.29 1k6t s LEU 97 Ca 0.16 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1k6t s LEU 97 Cb 0.07 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1k6t s LEU 97 CO -0.03 0.33 -0.08 0.20 0.23 0.00 0.00 176.35 176.99 1k6t s ASN 98 N -0.55 0.87 0.00 2.29 0.01 -1.26 -5.29 114.94 111.00 1k6t s ASN 98 Ca 0.10 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1k6t s ASN 98 Cb -0.12 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1k6t s ASN 98 CO 0.02 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.73