#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4v s GLN 2 N 0.00 3.09 -0.29 -0.52 -0.21 -1.26 -5.11 119.66 115.36 3k4v s GLN 2 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 54.45 3k4v s GLN 2 Cb 0.00 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 3k4v s GLN 2 CO 0.00 0.23 0.22 0.42 -2.12 0.00 0.00 175.29 174.04 3k4v s ILE 3 N 0.25 5.29 0.77 1.08 -1.09 -1.26 -5.11 121.20 121.13 3k4v s ILE 3 Ca -0.14 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.38 3k4v s ILE 3 Cb -0.17 -3.58 0.12 0.00 -1.58 0.00 0.00 42.46 37.26 3k4v s ILE 3 CO 0.07 0.20 1.07 0.42 -1.23 0.00 0.00 174.94 175.47 3k4v s THR 4 N 1.79 2.17 -0.21 2.92 -4.23 -1.26 -5.01 115.64 111.81 3k4v s THR 4 Ca 0.08 -0.36 0.13 0.00 -1.18 0.00 0.00 61.69 60.35 3k4v s THR 4 Cb -0.16 -2.81 0.41 0.00 1.34 0.00 0.00 72.50 71.28 3k4v s THR 4 CO 0.11 0.00 1.27 0.18 -0.54 0.00 0.00 174.62 175.63 3k4v n LEU 5 N -3.07 2.98 0.16 4.79 4.77 -1.26 -4.62 117.00 120.75 3k4v n LEU 5 Ca 0.13 -3.65 0.01 0.00 -0.03 0.00 0.00 56.01 52.47 3k4v n LEU 5 Cb 0.60 -0.53 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 3k4v n LEU 5 CO 0.46 1.18 0.60 -0.50 -1.33 0.00 0.00 177.39 177.80 3k4v h TRP 6 N 0.82 0.00 -1.90 -1.77 4.06 -2.06 -3.44 115.95 111.67 3k4v h TRP 6 Ca 0.04 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.38 3k4v h TRP 6 Cb 1.16 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.19 3k4v h TRP 6 CO 0.63 0.50 -0.67 0.15 -3.56 0.00 0.00 178.44 175.49 3k4v s LYS 7 N -3.79 1.86 0.25 0.49 -0.14 -1.26 -5.10 119.74 112.04 3k4v s LYS 7 Ca -0.02 -1.94 -0.31 0.00 -1.36 0.00 0.00 55.97 52.34 3k4v s LYS 7 Cb 0.13 -1.72 -0.13 0.00 -1.68 0.00 0.00 37.83 34.44 3k4v s LYS 7 CO 0.74 0.12 1.53 0.54 -0.76 0.00 0.00 175.35 177.51 3k4v n ARG 8 N -0.83 2.38 -1.96 1.68 1.74 -1.26 -4.85 116.66 113.56 3k4v n ARG 8 Ca -0.05 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.47 3k4v n ARG 8 Cb 0.64 -2.58 -0.01 0.00 -1.02 0.00 0.00 32.46 29.48 3k4v n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3k4v n PRO 9 N 2.37 2.65 -3.33 5.56 -0.04 -1.26 -4.95 135.00 136.01 3k4v n PRO 9 Ca 0.11 -2.71 -0.38 0.00 -0.04 0.00 0.00 63.50 60.49 3k4v n PRO 9 Cb 0.34 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 3k4v n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4v s LEU 10 N 3.59 4.36 0.18 1.53 1.43 -1.26 -0.81 118.68 127.69 3k4v s LEU 10 Ca 0.53 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 3k4v s LEU 10 Cb 0.09 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 3k4v s LEU 10 CO 0.02 0.10 0.00 0.68 0.23 0.00 0.00 176.35 177.38 3k4v s VAL 11 N 0.04 0.68 0.09 -1.59 -7.23 -0.12 -4.94 120.40 107.33 3k4v s VAL 11 Ca 0.27 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 3k4v s VAL 11 Cb -0.16 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.58 3k4v s VAL 11 CO 0.13 -0.46 0.67 -0.89 -0.31 0.00 0.00 175.10 174.23 3k4v s THR 12 N -3.66 4.63 0.27 5.32 2.01 -1.26 -0.55 115.64 122.40 3k4v s THR 12 Ca 0.24 1.44 0.06 0.00 0.31 0.00 0.00 61.69 63.75 3k4v s THR 12 Cb 0.06 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 3k4v s THR 12 CO 0.04 0.50 -0.05 0.27 -0.69 0.00 0.00 174.62 174.69 3k4v s ILE 13 N -0.87 1.55 -0.15 1.82 -4.36 0.13 -1.30 121.20 118.02 3k4v s ILE 13 Ca 0.33 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3k4v s ILE 13 Cb -0.21 -2.41 0.03 0.00 1.25 0.00 0.00 42.46 41.12 3k4v s ILE 13 CO 0.22 -0.32 -0.11 -0.75 0.24 0.00 0.00 174.94 174.22 3k4v s LYS 14 N -3.74 2.00 -0.04 0.37 2.20 0.28 -0.90 119.74 119.91 3k4v s LYS 14 Ca 0.29 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.35 3k4v s LYS 14 Cb 0.04 -2.02 0.02 0.00 -1.51 0.00 0.00 37.83 34.36 3k4v s LYS 14 CO 0.11 -0.29 0.09 -1.50 -0.36 0.00 0.00 175.35 173.40 3k4v s ILE 15 N 1.54 -0.03 -0.49 5.43 2.07 -0.51 -0.85 121.20 128.36 3k4v s ILE 15 Ca 0.04 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 3k4v s ILE 15 Cb -0.13 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.31 3k4v s ILE 15 CO -0.10 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 3k4v n GLY 16 N 3.71 0.56 1.69 1.50 0.00 -1.26 -1.19 105.19 110.20 3k4v n GLY 16 Ca -0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3k4v n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4v n GLY 17 N -0.35 0.74 3.43 -0.02 0.00 -1.26 -5.01 105.19 102.72 3k4v n GLY 17 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3k4v n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4v s GLN 18 N -0.31 2.82 0.18 1.61 0.74 -0.33 -5.10 119.66 119.27 3k4v s GLN 18 Ca 0.00 -0.70 -0.28 0.00 0.05 0.00 0.00 55.36 54.42 3k4v s GLN 18 Cb 0.00 -2.45 -0.08 0.00 1.10 0.00 0.00 33.01 31.58 3k4v s GLN 18 CO 0.00 0.47 0.89 -0.51 -0.55 0.00 0.00 175.29 175.58 3k4v s LEU 19 N -0.32 4.59 0.18 3.68 1.43 -1.26 -1.43 118.68 125.56 3k4v s LEU 19 Ca 0.03 1.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 3k4v s LEU 19 Cb -0.13 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3k4v s LEU 19 CO 0.02 0.12 0.14 -0.54 0.23 0.00 0.00 176.35 176.33 3k4v s LYS 20 N -0.86 1.14 -0.09 1.70 1.02 -0.08 -4.98 119.74 117.59 3k4v s LYS 20 Ca 0.40 -1.52 -0.05 0.00 0.02 0.00 0.00 55.97 54.83 3k4v s LYS 20 Cb -0.24 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 3k4v s LYS 20 CO 0.29 -0.37 0.12 -2.00 -0.92 0.00 0.00 175.35 172.47 3k4v s GLU 21 N -4.10 3.33 0.07 1.68 2.12 -1.26 0.21 118.70 120.74 3k4v s GLU 21 Ca 0.32 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 3k4v s GLU 21 Cb 0.06 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.38 3k4v s GLU 21 CO 0.08 0.74 0.23 0.00 -0.54 0.00 0.00 175.26 175.77 3k4v s ALA 22 N -1.05 -0.41 -0.16 6.30 0.00 0.28 -4.50 121.76 122.22 3k4v s ALA 22 Ca 0.17 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 3k4v s ALA 22 Cb -0.12 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 3k4v s ALA 22 CO 0.06 -0.45 0.41 -1.17 0.00 0.00 0.00 175.76 174.61 3k4v s LEU 23 N -2.43 4.22 -0.33 0.00 2.96 0.12 -0.95 118.68 122.28 3k4v s LEU 23 Ca -0.01 0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 3k4v s LEU 23 Cb 0.01 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.16 3k4v s LEU 23 CO -0.07 -0.01 1.16 -0.76 -1.32 0.00 0.00 176.35 175.34 3k4v s LEU 24 N 0.88 3.89 -0.33 -0.68 1.43 0.01 -0.76 118.68 123.12 3k4v s LEU 24 Ca 0.21 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3k4v s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 3k4v s LEU 24 CO 0.08 -0.98 0.10 -0.62 0.23 0.00 0.00 176.35 175.16 3k4v s ASP 25 N 2.11 4.20 0.44 2.29 -1.08 0.25 -4.79 116.67 120.08 3k4v s ASP 25 Ca 0.49 -1.87 0.30 0.00 -0.52 0.00 0.00 52.55 50.95 3k4v s ASP 25 Cb -0.13 -1.09 1.24 0.00 -1.46 0.00 0.00 42.92 41.48 3k4v s ASP 25 CO 0.19 -0.39 1.88 0.71 0.52 0.00 0.00 175.17 178.09 3k4v h THR 26 N 6.41 0.00 -0.06 1.71 1.35 -1.94 -2.42 112.91 117.96 3k4v h THR 26 Ca -0.10 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3k4v h THR 26 Cb 1.01 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3k4v h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3k4v n GLY 27 N -0.01 -0.28 3.53 5.82 0.00 -1.26 -4.81 105.19 108.18 3k4v n GLY 27 Ca 0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3k4v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4v s ALA 28 N -1.94 3.12 0.30 4.61 0.00 -0.91 -4.98 121.76 121.96 3k4v s ALA 28 Ca 0.36 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.56 3k4v s ALA 28 Cb 0.19 -1.68 0.47 0.00 0.00 0.00 0.00 23.12 22.09 3k4v s ALA 28 CO 0.30 0.17 1.72 -0.44 0.00 0.00 0.00 175.76 177.51 3k4v h ASP 29 N 6.78 0.33 -2.65 0.00 3.32 -1.87 0.68 116.42 123.00 3k4v h ASP 29 Ca -0.33 -0.12 -0.53 0.00 0.02 0.00 0.00 57.03 56.07 3k4v h ASP 29 Cb 1.18 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.51 3k4v h ASP 29 CO 0.65 0.65 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.39 3k4v s ASP 30 N -6.86 2.95 -0.22 6.45 1.01 -1.26 -2.47 116.67 116.27 3k4v s ASP 30 Ca -0.05 -1.34 -0.08 0.00 0.71 0.00 0.00 52.55 51.79 3k4v s ASP 30 Cb 0.14 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 3k4v s ASP 30 CO 0.77 -0.51 0.08 -0.89 0.21 0.00 0.00 175.17 174.84 3k4v s THR 31 N -3.05 4.66 -0.11 -1.27 2.01 -1.26 -3.03 115.64 113.59 3k4v s THR 31 Ca 0.35 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.30 3k4v s THR 31 Cb 0.08 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.46 3k4v s THR 31 CO 0.16 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 3k4v s VAL 32 N 1.06 1.45 0.04 3.82 1.01 -0.39 -1.17 120.40 126.22 3k4v s VAL 32 Ca 0.05 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3k4v s VAL 32 Cb -0.14 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3k4v s VAL 32 CO 0.03 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.77 3k4v s ILE 33 N 1.12 2.90 0.76 2.22 -1.09 0.96 -0.78 121.20 127.29 3k4v s ILE 33 Ca -0.04 -1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 57.10 3k4v s ILE 33 Cb -0.14 -2.23 0.01 0.00 -1.58 0.00 0.00 42.46 38.51 3k4v s ILE 33 CO -0.03 0.35 0.79 -1.84 -1.23 0.00 0.00 174.94 172.98 3k4v n GLU 34 N 1.55 0.30 -1.67 2.79 0.28 -1.26 -1.40 120.64 121.24 3k4v n GLU 34 Ca -0.16 0.16 -0.46 0.00 -0.16 0.00 0.00 57.16 56.54 3k4v n GLU 34 Cb 0.52 -2.08 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 3k4v n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3k4v n GLU 35 N -1.67 2.04 -3.44 3.44 1.02 -1.05 -4.50 120.64 116.49 3k4v n GLU 35 Ca 0.11 0.73 -0.12 0.00 -0.02 0.00 0.00 57.16 57.86 3k4v n GLU 35 Cb 0.50 -2.44 -0.02 0.00 -0.02 0.00 0.00 31.44 29.46 3k4v n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k4v s MET 36 N 0.23 1.22 -0.19 3.49 0.23 -1.26 -5.01 119.30 118.01 3k4v s MET 36 Ca 0.74 -0.41 -0.28 0.00 -1.03 0.00 0.00 55.69 54.71 3k4v s MET 36 Cb -0.68 0.56 -0.00 0.00 -1.53 0.00 0.00 34.83 33.18 3k4v s MET 36 CO 0.44 -0.52 0.96 -1.12 -2.03 0.00 0.00 175.02 172.75 3k4v s SER 37 N -2.62 7.07 -0.06 -1.18 0.01 -1.26 -5.03 113.70 110.63 3k4v s SER 37 Ca 0.01 1.33 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 3k4v s SER 37 Cb -0.01 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.73 3k4v s SER 37 CO -0.11 -0.54 -0.01 -0.22 0.41 0.00 0.00 173.24 172.77 3k4v s LEU 38 N 2.63 0.77 0.56 2.44 2.96 -1.26 -4.99 118.68 121.79 3k4v s LEU 38 Ca 0.43 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 54.06 3k4v s LEU 38 Cb -0.16 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.05 3k4v s LEU 38 CO 0.11 -0.16 1.14 -2.16 -1.32 0.00 0.00 176.35 173.95 3k4v s PRO 39 N 1.70 3.27 0.00 0.98 0.04 -1.26 -4.93 135.00 134.81 3k4v s PRO 39 Ca 0.01 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3k4v s PRO 39 Cb -0.13 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3k4v s PRO 39 CO -0.04 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.49 3k4v n GLY 40 N 0.17 3.83 3.77 0.56 0.00 -1.26 -5.07 105.19 107.18 3k4v n GLY 40 Ca 0.12 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 3k4v n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k4v s ARG 41 N -3.33 4.58 0.25 1.61 6.06 -1.26 -5.06 118.95 121.80 3k4v s ARG 41 Ca 0.00 1.52 0.01 0.00 -2.50 0.00 0.00 55.73 54.76 3k4v s ARG 41 Cb 0.00 -2.96 -0.04 0.00 0.06 0.00 0.00 34.95 32.00 3k4v s ARG 41 CO 0.00 0.24 0.13 1.67 -2.50 0.00 0.00 175.30 174.84 3k4v s TRP 42 N -1.41 1.44 0.03 5.12 1.48 -1.26 -4.27 118.94 120.08 3k4v s TRP 42 Ca 0.48 -1.30 -0.03 0.00 -1.06 0.00 0.00 56.10 54.19 3k4v s TRP 42 Cb -0.24 -0.78 -0.02 0.00 -1.16 0.00 0.00 33.47 31.27 3k4v s TRP 42 CO 0.31 -0.49 0.03 -1.59 -4.06 0.00 0.00 176.95 171.15 3k4v s LYS 43 N -4.01 0.50 0.47 3.25 -2.85 -0.63 -4.92 119.74 111.55 3k4v s LYS 43 Ca 0.38 -0.80 -0.22 0.00 -1.00 0.00 0.00 55.97 54.33 3k4v s LYS 43 Cb 0.07 0.19 -0.08 0.00 -2.06 0.00 0.00 37.83 35.95 3k4v s LYS 43 CO 0.14 -0.11 1.09 -1.25 0.10 0.00 0.00 175.35 175.33 3k4v s PRO 44 N -2.51 3.80 0.01 1.78 0.04 -1.26 -0.27 135.00 136.59 3k4v s PRO 44 Ca -0.06 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 3k4v s PRO 44 Cb -0.02 -2.29 0.03 0.00 0.04 0.00 0.00 34.50 32.26 3k4v s PRO 44 CO -0.04 -0.47 0.34 0.21 0.04 0.00 0.00 177.00 177.08 3k4v s LYS 45 N -2.89 0.77 -0.11 4.56 2.20 -0.77 -4.84 119.74 118.66 3k4v s LYS 45 Ca 0.65 -0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 55.90 3k4v s LYS 45 Cb -0.23 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 3k4v s LYS 45 CO 0.27 -0.23 0.12 -1.64 -0.36 0.00 0.00 175.35 173.51 3k4v s MET 46 N -1.88 3.37 0.04 4.03 -1.94 -1.26 -0.26 119.30 121.39 3k4v s MET 46 Ca -0.09 -0.19 0.04 0.00 -1.71 0.00 0.00 55.69 53.74 3k4v s MET 46 Cb -0.03 -3.12 -0.02 0.00 2.01 0.00 0.00 34.83 33.67 3k4v s MET 46 CO 0.01 0.76 -0.12 -1.50 -0.01 0.00 0.00 175.02 174.17 3k4v s ILE 47 N -1.03 0.91 0.29 2.53 1.10 -0.49 -4.95 121.20 119.57 3k4v s ILE 47 Ca 0.16 -0.93 0.10 0.00 -0.51 0.00 0.00 60.65 59.47 3k4v s ILE 47 Cb -0.12 -0.85 -0.06 0.00 0.15 0.00 0.00 42.46 41.58 3k4v s ILE 47 CO 0.05 -0.06 -0.13 -0.83 -2.11 0.00 0.00 174.94 171.85 3k4v s GLY 48 N -1.11 1.94 0.00 1.50 0.00 -1.26 -0.71 107.32 107.67 3k4v s GLY 48 Ca -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.78 3k4v s GLY 48 CO 0.01 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.77 3k4v n GLY 49 N -0.65 3.42 0.39 0.20 0.00 -0.55 -4.99 105.19 103.01 3k4v n GLY 49 Ca -0.05 -0.63 0.16 0.00 0.00 0.00 0.00 46.02 45.50 3k4v n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k4v h ILE 50 N 0.00 0.76 -0.01 -0.61 6.09 -2.03 -2.88 117.51 118.84 3k4v h ILE 50 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3k4v h ILE 50 Cb 0.00 0.23 0.00 0.00 0.47 0.00 0.00 36.82 37.52 3k4v h ILE 50 CO 0.00 0.09 -0.30 0.61 -3.07 0.00 0.00 178.15 175.48 3k4v n GLY 51 N -1.50 -0.11 0.00 8.18 0.00 -1.26 -5.09 105.19 105.42 3k4v n GLY 51 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3k4v n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4v n GLY 52 N 1.03 0.84 3.60 -0.02 0.00 -1.09 -5.13 105.19 104.42 3k4v n GLY 52 Ca 0.04 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 3k4v n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4v s PHE 53 N -2.67 2.77 0.20 1.61 0.40 -1.26 -1.49 117.98 117.54 3k4v s PHE 53 Ca 0.00 -0.15 0.10 0.00 -0.60 0.00 0.00 56.93 56.28 3k4v s PHE 53 Cb 0.00 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 3k4v s PHE 53 CO 0.00 0.46 -0.20 0.96 0.70 0.00 0.00 175.22 177.14 3k4v s ILE 54 N -1.39 2.11 -0.06 0.64 -4.36 0.11 -4.93 121.20 113.32 3k4v s ILE 54 Ca 0.23 -2.08 -0.20 0.00 -0.26 0.00 0.00 60.65 58.34 3k4v s ILE 54 Cb -0.10 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 3k4v s ILE 54 CO 0.15 -0.30 0.57 -0.75 0.24 0.00 0.00 174.94 174.86 3k4v s LYS 55 N -2.99 4.34 0.29 0.37 2.20 -1.26 -1.39 119.74 121.30 3k4v s LYS 55 Ca 0.21 0.66 0.02 0.00 -0.36 0.00 0.00 55.97 56.50 3k4v s LYS 55 Cb -0.06 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3k4v s LYS 55 CO 0.09 0.22 0.09 0.14 -0.36 0.00 0.00 175.35 175.54 3k4v s VAL 56 N 0.33 0.75 -0.28 4.02 -7.23 0.64 -4.52 120.40 114.11 3k4v s VAL 56 Ca 0.31 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 3k4v s VAL 56 Cb -0.17 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 3k4v s VAL 56 CO 0.15 0.00 0.21 -0.13 -0.31 0.00 0.00 175.10 175.02 3k4v s ARG 57 N -3.95 3.96 -0.38 4.82 0.52 0.69 -1.85 118.95 122.76 3k4v s ARG 57 Ca 0.36 -0.28 -0.21 0.00 -0.52 0.00 0.00 55.73 55.08 3k4v s ARG 57 Cb 0.08 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3k4v s ARG 57 CO 0.15 -0.18 0.68 -1.14 0.02 0.00 0.00 175.30 174.82 3k4v s GLN 58 N 1.77 3.61 -0.27 3.54 0.74 0.63 -0.17 119.66 129.50 3k4v s GLN 58 Ca 0.08 0.02 -0.08 0.00 0.05 0.00 0.00 55.36 55.43 3k4v s GLN 58 Cb -0.16 -3.84 -0.02 0.00 1.10 0.00 0.00 33.01 30.09 3k4v s GLN 58 CO 0.11 -0.84 0.11 0.71 -0.55 0.00 0.00 175.29 174.82 3k4v s TYR 59 N 2.86 3.13 0.35 1.67 1.51 -0.11 -1.61 117.35 125.15 3k4v s TYR 59 Ca 0.26 -0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3k4v s TYR 59 Cb -0.14 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.38 3k4v s TYR 59 CO 0.17 -0.39 0.62 -0.51 -1.11 0.00 0.00 175.55 174.33 3k4v s ASP 60 N 1.62 6.39 -1.33 2.29 1.01 -1.26 -0.65 116.67 124.73 3k4v s ASP 60 Ca 0.06 0.73 -0.03 0.00 0.71 0.00 0.00 52.55 54.02 3k4v s ASP 60 Cb -0.16 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3k4v s ASP 60 CO 0.05 -0.31 0.84 0.00 0.21 0.00 0.00 175.17 175.96 3k4v n GLN 61 N -1.40 -5.54 -3.40 8.23 6.02 -1.15 -4.91 117.38 115.24 3k4v n GLN 61 Ca -0.02 0.67 -0.38 0.00 -0.01 0.00 0.00 57.00 57.26 3k4v n GLN 61 Cb 0.55 -5.40 -0.06 0.00 1.02 0.00 0.00 30.24 26.35 3k4v n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3k4v s ILE 62 N -3.53 5.07 -0.13 5.09 -1.09 0.22 -4.75 121.20 122.08 3k4v s ILE 62 Ca 0.16 0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 59.28 3k4v s ILE 62 Cb -0.08 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3k4v s ILE 62 CO 0.80 0.47 0.68 -0.63 -1.23 0.00 0.00 174.94 175.03 3k4v s ILE 63 N -0.33 5.02 0.02 2.92 1.01 -1.26 -1.19 121.20 127.39 3k4v s ILE 63 Ca 0.25 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.27 3k4v s ILE 63 Cb -0.16 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 3k4v s ILE 63 CO 0.12 0.17 -0.06 -0.51 0.00 0.00 0.00 174.94 174.66 3k4v s ILE 64 N 1.41 0.45 -0.12 2.92 2.07 -0.48 -4.46 121.20 122.98 3k4v s ILE 64 Ca 0.34 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 58.88 3k4v s ILE 64 Cb -0.17 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3k4v s ILE 64 CO 0.14 -0.18 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.16 3k4v s GLU 65 N -0.96 3.32 -0.25 3.50 2.12 -0.03 -0.58 118.70 125.82 3k4v s GLU 65 Ca -0.05 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.62 3k4v s GLU 65 Cb -0.07 -2.62 0.06 0.00 0.26 0.00 0.00 34.13 31.76 3k4v s GLU 65 CO 0.00 0.25 -0.10 0.42 -0.54 0.00 0.00 175.26 175.30 3k4v s ILE 66 N 0.25 2.01 -1.57 -3.70 1.01 0.71 -0.55 121.20 119.35 3k4v s ILE 66 Ca -0.09 -1.51 -0.10 0.00 0.00 0.00 0.00 60.65 58.95 3k4v s ILE 66 Cb -0.15 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.26 3k4v s ILE 66 CO 0.05 -0.03 0.63 0.00 0.00 0.00 0.00 174.94 175.60 3k4v n ALA 67 N 4.50 -1.58 -0.25 9.38 0.00 -0.42 -0.59 120.51 131.54 3k4v n ALA 67 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3k4v n ALA 67 Cb 0.43 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.20 3k4v n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4v n GLY 68 N -1.69 1.28 3.58 0.00 0.00 -1.26 -5.03 105.19 102.06 3k4v n GLY 68 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3k4v n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k4v s HIS 69 N -2.81 3.16 0.25 1.61 4.02 0.24 -5.07 115.29 116.69 3k4v s HIS 69 Ca 0.00 -0.08 -0.28 0.00 1.02 0.00 0.00 55.06 55.72 3k4v s HIS 69 Cb 0.00 -2.02 -0.09 0.00 -1.02 0.00 0.00 32.58 29.45 3k4v s HIS 69 CO 0.00 0.09 0.91 0.21 1.02 0.00 0.00 174.74 176.97 3k4v s LYS 70 N 0.32 4.73 0.06 1.40 2.36 -1.26 -0.21 119.74 127.13 3k4v s LYS 70 Ca 0.00 1.38 -0.00 0.00 -2.55 0.00 0.00 55.97 54.80 3k4v s LYS 70 Cb -0.13 -3.14 -0.04 0.00 -1.05 0.00 0.00 37.83 33.47 3k4v s LYS 70 CO 0.01 0.46 -0.04 0.00 1.55 0.00 0.00 175.35 177.33 3k4v s ALA 71 N -1.30 0.59 -0.05 3.13 0.00 0.25 -4.83 121.76 119.55 3k4v s ALA 71 Ca 0.43 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 3k4v s ALA 71 Cb -0.23 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3k4v s ALA 71 CO 0.29 -0.32 -0.00 0.42 0.00 0.00 0.00 175.76 176.14 3k4v s ILE 72 N -3.64 0.30 0.00 0.00 1.01 -1.26 -1.39 121.20 116.23 3k4v s ILE 72 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3k4v s ILE 72 Cb 0.06 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.12 3k4v s ILE 72 CO -0.08 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.67 3k4v n GLY 73 N 4.53 0.57 3.72 6.18 0.00 -0.33 -4.86 105.19 115.00 3k4v n GLY 73 Ca -0.18 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 3k4v n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4v s THR 74 N -2.04 4.60 -0.03 2.61 2.01 -1.26 -0.61 115.64 120.92 3k4v s THR 74 Ca 0.00 2.05 0.07 0.00 0.31 0.00 0.00 61.69 64.12 3k4v s THR 74 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 3k4v s THR 74 CO 0.00 0.26 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.27 3k4v s VAL 75 N 0.35 1.83 -0.14 3.82 1.01 0.17 -4.55 120.40 122.89 3k4v s VAL 75 Ca 0.49 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3k4v s VAL 75 Cb -0.23 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3k4v s VAL 75 CO 0.29 0.52 0.05 -0.76 0.00 0.00 0.00 175.10 175.20 3k4v s LEU 76 N -0.38 3.83 -0.11 3.92 1.43 -0.31 -0.94 118.68 126.11 3k4v s LEU 76 Ca 0.04 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3k4v s LEU 76 Cb -0.10 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3k4v s LEU 76 CO 0.01 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 3k4v s VAL 77 N -0.21 2.01 -0.01 -1.59 1.01 0.76 -0.03 120.40 122.34 3k4v s VAL 77 Ca 0.07 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 3k4v s VAL 77 Cb -0.12 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3k4v s VAL 77 CO 0.01 0.55 0.31 0.61 0.00 0.00 0.00 175.10 176.58 3k4v n GLY 78 N 3.72 0.44 2.37 4.51 0.00 -0.50 -0.22 105.19 115.51 3k4v n GLY 78 Ca -0.19 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 3k4v n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k4v n PRO 79 N -0.22 3.56 -2.98 1.61 -0.04 -1.26 -2.51 135.00 133.15 3k4v n PRO 79 Ca 0.01 -2.22 -0.36 0.00 -0.04 0.00 0.00 63.50 60.89 3k4v n PRO 79 Cb 0.14 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 3k4v n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3k4v s THR 80 N 2.33 4.44 0.40 0.52 -1.32 -1.26 -4.98 115.64 115.77 3k4v s THR 80 Ca 0.67 1.47 0.12 0.00 -1.21 0.00 0.00 61.69 62.74 3k4v s THR 80 Cb 0.17 -3.90 0.14 0.00 -1.51 0.00 0.00 72.50 67.41 3k4v s THR 80 CO -0.06 0.16 1.91 -0.65 -2.21 0.00 0.00 174.62 173.76 3k4v h PRO 81 N 3.26 0.07 -3.73 7.08 0.11 -1.99 -3.43 132.00 133.37 3k4v h PRO 81 Ca -0.48 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 3k4v h PRO 81 Cb 1.19 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.02 3k4v h PRO 81 CO 0.65 0.31 -0.70 0.08 -0.21 0.00 0.00 178.00 178.13 3k4v s VAL 82 N -4.50 0.02 0.01 3.15 1.01 -1.26 -5.06 120.40 113.76 3k4v s VAL 82 Ca -0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3k4v s VAL 82 Cb 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.42 3k4v s VAL 82 CO 0.72 -0.07 1.22 0.20 0.00 0.00 0.00 175.10 177.17 3k4v s ASN 83 N -0.20 7.04 -0.04 3.32 0.01 -1.26 -4.76 114.94 119.05 3k4v s ASN 83 Ca -0.02 1.95 0.04 0.00 -0.71 0.00 0.00 52.86 54.12 3k4v s ASN 83 Cb -0.01 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 3k4v s ASN 83 CO -0.00 -0.54 -0.16 0.27 -1.51 0.00 0.00 177.10 175.16 3k4v s ILE 84 N 1.63 1.37 -0.35 0.60 -5.25 0.04 0.13 121.20 119.37 3k4v s ILE 84 Ca 0.58 -0.68 -0.12 0.00 -0.99 0.00 0.00 60.65 59.45 3k4v s ILE 84 Cb -0.28 -1.18 0.00 0.00 2.95 0.00 0.00 42.46 43.95 3k4v s ILE 84 CO 0.26 0.40 0.21 -0.63 -1.79 0.00 0.00 174.94 173.39 3k4v s ILE 85 N 0.07 4.87 0.27 8.37 -1.09 0.06 -1.27 121.20 132.49 3k4v s ILE 85 Ca -0.04 -0.51 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 3k4v s ILE 85 Cb -0.11 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.23 3k4v s ILE 85 CO 0.02 -0.08 0.35 0.61 -1.23 0.00 0.00 174.94 174.60 3k4v n GLY 86 N 5.04 2.11 0.24 6.18 0.00 -1.17 -0.59 105.19 117.02 3k4v n GLY 86 Ca -0.13 -2.19 0.07 0.00 0.00 0.00 0.00 46.02 43.78 3k4v n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k4v h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.88 -0.43 114.38 117.76 3k4v h ARG 87 Ca -0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3k4v h ARG 87 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3k4v h ARG 87 CO 0.20 0.10 -0.02 -2.95 -1.07 0.00 0.00 179.97 176.22 3k4v h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.74 -2.27 115.58 117.54 3k4v h ASN 88 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 3k4v h ASN 88 Cb 0.18 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.39 3k4v h ASN 88 CO 0.01 0.02 -1.99 0.18 0.07 0.00 0.00 177.43 175.73 3k4v n LEU 89 N -4.15 0.00 -0.25 6.14 4.77 -0.69 -4.27 117.00 118.56 3k4v n LEU 89 Ca -0.03 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.01 3k4v n LEU 89 Cb 0.11 0.32 0.30 0.00 -2.33 0.00 0.00 43.42 41.82 3k4v n LEU 89 CO 0.31 0.32 1.23 -0.07 -1.33 0.00 0.00 177.39 177.85 3k4v h LEU 90 N 0.00 0.78 -1.04 2.23 3.38 -0.92 -1.09 115.31 118.65 3k4v h LEU 90 Ca -0.35 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 3k4v h LEU 90 Cb 1.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3k4v h LEU 90 CO 0.02 0.49 -0.25 0.71 0.09 0.00 0.00 178.44 179.50 3k4v h THR 91 N 0.88 1.26 -0.06 0.22 1.35 -1.62 -1.44 112.91 113.50 3k4v h THR 91 Ca 0.36 -1.21 -0.09 0.00 -0.55 0.00 0.00 66.41 64.92 3k4v h THR 91 Cb 0.27 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3k4v h THR 91 CO -0.13 0.38 -0.38 1.56 -0.25 0.00 0.00 175.52 176.69 3k4v h GLN 92 N 0.34 0.11 -0.10 4.72 4.20 -1.39 -2.58 115.11 120.41 3k4v h GLN 92 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k4v h GLN 92 Cb 0.63 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3k4v h GLN 92 CO 0.05 0.49 0.00 0.44 -0.67 0.00 0.00 178.83 179.13 3k4v n ILE 93 N -4.06 0.11 -0.95 2.54 -5.35 -0.95 -4.94 119.36 105.76 3k4v n ILE 93 Ca -0.02 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 3k4v n ILE 93 Cb 0.44 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 3k4v n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k4v n GLY 94 N 1.23 0.66 3.76 3.28 0.00 -0.97 -5.03 105.19 108.12 3k4v n GLY 94 Ca 0.17 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3k4v n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4v s ALA 95 N -2.00 3.29 0.11 4.61 0.00 -0.57 -5.03 121.76 122.17 3k4v s ALA 95 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.66 3k4v s ALA 95 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3k4v s ALA 95 CO 0.00 0.06 -0.09 0.95 0.00 0.00 0.00 175.76 176.68 3k4v s THR 96 N -1.35 0.93 -0.18 0.00 -4.23 -1.26 -4.71 115.64 104.84 3k4v s THR 96 Ca 0.46 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 3k4v s THR 96 Cb -0.25 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 3k4v s THR 96 CO 0.31 -0.74 0.15 -0.22 -0.54 0.00 0.00 174.62 173.58 3k4v s LEU 97 N -2.91 4.24 0.07 4.79 2.96 -1.26 -5.09 118.68 121.48 3k4v s LEU 97 Ca 0.12 0.30 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 3k4v s LEU 97 Cb 0.02 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3k4v s LEU 97 CO -0.02 0.21 -0.21 0.20 -1.32 0.00 0.00 176.35 175.21 3k4v s ASN 98 N 0.14 2.57 0.00 3.68 0.01 -1.26 -5.29 114.94 114.78 3k4v s ASN 98 Ca 0.10 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 3k4v s ASN 98 Cb -0.11 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.36 3k4v s ASN 98 CO -0.00 0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.93