#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g h THR 2 N 0.00 0.07 -5.81 2.03 1.35 -1.73 -3.49 112.91 105.34 2k5g h THR 2 Ca 0.00 -0.63 -0.35 0.00 -0.55 0.00 0.00 66.41 64.88 2k5g h THR 2 Cb 0.00 0.12 0.13 0.00 -1.73 0.00 0.00 68.15 66.66 2k5g h THR 2 CO 0.00 0.02 -0.82 -1.20 -0.25 0.00 0.00 175.52 173.27 2k5g n SER 3 N -5.13 -2.72 -4.58 5.36 7.64 -1.26 -4.92 113.62 108.00 2k5g n SER 3 Ca -0.07 -0.73 -0.41 0.00 1.01 0.00 0.00 58.87 58.66 2k5g n SER 3 Cb 0.22 -4.65 -0.03 0.00 -1.01 0.00 0.00 64.21 58.75 2k5g n SER 3 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2k5g s PRO 4 N -5.45 3.11 -0.19 1.43 0.02 -1.26 -4.77 135.00 127.89 2k5g s PRO 4 Ca 0.11 1.20 -0.18 0.00 0.02 0.00 0.00 61.00 62.15 2k5g s PRO 4 Cb -0.02 -4.25 -0.03 0.00 0.02 0.00 0.00 34.50 30.21 2k5g s PRO 4 CO 0.77 -2.13 0.49 -1.12 -0.33 0.00 0.00 177.00 174.68 2k5g s SER 5 N 6.76 6.55 -0.13 2.53 0.01 -1.26 -4.76 113.70 123.40 2k5g s SER 5 Ca 0.76 0.66 -0.30 0.00 1.31 0.00 0.00 55.95 58.38 2k5g s SER 5 Cb -0.19 -2.28 0.12 0.00 0.21 0.00 0.00 66.02 63.88 2k5g s SER 5 CO 0.30 -0.14 1.00 -0.94 0.41 0.00 0.00 173.24 173.88 2k5g s SER 6 N 1.06 -0.34 -0.26 2.44 1.04 -1.26 -5.15 113.70 111.24 2k5g s SER 6 Ca 0.23 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.93 2k5g s SER 6 Cb -0.15 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.33 2k5g s SER 6 CO 0.09 -0.39 -0.04 0.00 0.98 0.00 0.00 173.24 173.88 2k5g s ALA 7 N -1.73 2.12 -0.14 5.32 0.00 -1.26 -4.84 121.76 121.23 2k5g s ALA 7 Ca 0.01 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 2k5g s ALA 7 Cb -0.01 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.63 2k5g s ALA 7 CO -0.02 -1.28 -0.01 -0.06 0.00 0.00 0.00 175.76 174.39 2k5g s PHE 8 N 1.32 1.12 0.00 0.00 0.08 -1.26 -5.12 117.98 114.12 2k5g s PHE 8 Ca -0.03 -0.68 -0.30 0.00 0.12 0.00 0.00 56.93 56.03 2k5g s PHE 8 Cb -0.19 -1.04 -0.06 0.00 -0.57 0.00 0.00 43.02 41.16 2k5g s PHE 8 CO -0.08 -0.51 1.48 -2.14 -0.10 0.00 0.00 175.22 173.88 2k5g s PRO 9 N 1.82 4.25 0.34 0.24 0.02 -1.26 -4.72 135.00 135.69 2k5g s PRO 9 Ca 0.02 2.07 -0.18 0.00 0.02 0.00 0.00 61.00 62.92 2k5g s PRO 9 Cb -0.15 -3.63 -0.10 0.00 0.02 0.00 0.00 34.50 30.65 2k5g s PRO 9 CO -0.07 -0.65 0.81 0.34 -0.33 0.00 0.00 177.00 177.10 2k5g s ASP 10 N 2.17 6.91 -0.12 2.53 -1.08 -1.26 -5.03 116.67 120.79 2k5g s ASP 10 Ca 0.67 1.46 -0.22 0.00 -0.52 0.00 0.00 52.55 53.94 2k5g s ASP 10 Cb -0.33 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 38.65 2k5g s ASP 10 CO 0.28 -0.20 0.64 -0.83 0.52 0.00 0.00 175.17 175.57 2k5g s GLY 11 N -2.10 2.39 0.06 2.66 0.00 -1.26 -5.04 107.32 104.04 2k5g s GLY 11 Ca 0.54 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.22 2k5g s GLY 11 CO 0.17 1.15 0.06 -2.39 0.00 0.00 0.00 173.10 172.09 2k5g n HIS 12 N 4.16 -0.28 0.00 1.90 1.44 -1.26 -4.99 115.22 116.20 2k5g n HIS 12 Ca -0.02 -0.49 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 2k5g n HIS 12 Cb 0.51 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.68 2k5g n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k5g n GLY 13 N -0.11 1.41 3.30 -1.39 0.00 -1.26 -5.07 105.19 102.06 2k5g n GLY 13 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 14 N -2.00 3.69 -0.12 4.61 0.00 -1.26 -5.05 121.76 121.63 2k5g s ALA 14 Ca 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 51.96 49.25 2k5g s ALA 14 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2k5g s ALA 14 CO 0.00 -2.05 0.02 1.03 0.00 0.00 0.00 175.76 174.77 2k5g s ARG 15 N 1.33 3.30 0.00 0.00 3.00 -1.26 -4.91 118.95 120.41 2k5g s ARG 15 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 55.73 55.41 2k5g s ARG 15 Cb -0.26 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 31.76 2k5g s ARG 15 CO 0.01 0.58 0.00 -0.11 0.00 0.00 0.00 175.30 175.77 2k5g n LEU 16 N 2.55 0.00 -3.62 2.53 7.94 -1.26 -5.14 117.00 119.99 2k5g n LEU 16 Ca -0.18 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.69 2k5g n LEU 16 Cb 0.53 0.32 -0.06 0.00 0.53 0.00 0.00 43.42 44.74 2k5g n LEU 16 CO 0.30 -0.32 0.55 -0.62 -1.11 0.00 0.00 177.39 176.19 2k5g s ASP 17 N -0.21 -0.68 -0.34 1.96 2.15 -1.26 -5.13 116.67 113.16 2k5g s ASP 17 Ca 0.00 1.05 -0.01 0.00 0.43 0.00 0.00 52.55 54.02 2k5g s ASP 17 Cb 0.00 1.37 0.12 0.00 -0.30 0.00 0.00 42.92 44.12 2k5g s ASP 17 CO 0.00 -0.16 0.18 0.00 -0.17 0.00 0.00 175.17 175.02 2k5g s ALA 18 N 1.64 1.04 -0.27 3.66 0.00 -1.26 -4.92 121.76 121.65 2k5g s ALA 18 Ca -0.08 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.23 2k5g s ALA 18 Cb -0.05 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.41 2k5g s ALA 18 CO -0.17 -1.93 0.27 1.04 0.00 0.00 0.00 175.76 174.97 2k5g n GLN 19 N 4.41 3.99 -3.69 0.00 6.02 -1.26 -5.00 117.38 121.85 2k5g n GLN 19 Ca 0.05 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.89 2k5g n GLN 19 Cb 0.39 -0.88 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2k5g s SER 20 N -1.84 -0.29 -0.24 1.08 0.01 -1.26 -4.71 113.70 106.44 2k5g s SER 20 Ca 0.02 0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.32 2k5g s SER 20 Cb 0.05 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 2k5g s SER 20 CO 0.28 -0.56 0.14 -0.63 0.41 0.00 0.00 173.24 172.88 2k5g s ILE 21 N -1.81 5.08 -0.08 1.44 -1.09 -1.02 -5.01 121.20 118.72 2k5g s ILE 21 Ca -0.10 0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 58.38 2k5g s ILE 21 Cb -0.02 -3.37 0.04 0.00 -1.58 0.00 0.00 42.46 37.52 2k5g s ILE 21 CO 0.02 0.33 0.11 0.00 -1.23 0.00 0.00 174.94 174.18 2k5g s ARG 22 N 1.26 -0.01 -0.05 2.79 3.03 -1.25 0.43 118.95 125.14 2k5g s ARG 22 Ca 0.06 0.42 0.00 0.00 2.03 0.00 0.00 55.73 58.25 2k5g s ARG 22 Cb -0.14 -0.53 0.02 0.00 -1.03 0.00 0.00 34.95 33.27 2k5g s ARG 22 CO 0.06 -0.36 -0.03 0.12 -1.13 0.00 0.00 175.30 173.96 2k5g s PHE 23 N 2.23 0.69 0.04 5.89 5.36 0.29 -4.95 117.98 127.54 2k5g s PHE 23 Ca 0.04 -0.18 0.06 0.00 -0.96 0.00 0.00 56.93 55.88 2k5g s PHE 23 Cb -0.12 -0.67 -0.03 0.00 -0.34 0.00 0.00 43.02 41.85 2k5g s PHE 23 CO -0.05 -0.22 -0.13 -1.83 -1.46 0.00 0.00 175.22 171.54 2k5g s GLU 24 N 1.14 2.23 0.02 10.12 -1.05 -1.26 0.32 118.70 130.23 2k5g s GLU 24 Ca -0.08 -0.91 -0.01 0.00 -0.15 0.00 0.00 54.97 53.82 2k5g s GLU 24 Cb -0.14 -2.31 -0.02 0.00 -0.44 0.00 0.00 34.13 31.22 2k5g s GLU 24 CO -0.01 0.55 0.00 1.03 0.95 0.00 0.00 175.26 177.78 2k5g s ARG 25 N -1.61 0.40 -0.17 -4.83 1.81 0.28 -4.99 118.95 109.84 2k5g s ARG 25 Ca 0.17 -0.69 -0.13 0.00 -1.72 0.00 0.00 55.73 53.36 2k5g s ARG 25 Cb -0.11 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.49 2k5g s ARG 25 CO 0.08 -0.07 0.25 -1.17 -0.68 0.00 0.00 175.30 173.71 2k5g s LEU 26 N -1.72 4.24 0.11 2.53 1.98 -1.26 -0.69 118.68 123.87 2k5g s LEU 26 Ca -0.12 0.44 0.07 0.00 -2.89 0.00 0.00 54.13 51.63 2k5g s LEU 26 Cb -0.06 -2.30 -0.04 0.00 0.66 0.00 0.00 46.19 44.45 2k5g s LEU 26 CO -0.02 0.12 -0.16 -0.76 -1.89 0.00 0.00 176.35 173.64 2k5g s LEU 27 N 0.43 2.36 0.26 -0.68 1.43 0.14 -4.91 118.68 117.70 2k5g s LEU 27 Ca 0.14 -0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 2k5g s LEU 27 Cb -0.12 -0.66 -0.09 0.00 0.03 0.00 0.00 46.19 45.34 2k5g s LEU 27 CO 0.02 -0.07 0.84 -2.16 0.23 0.00 0.00 176.35 175.21 2k5g s PRO 28 N -2.34 4.47 0.00 1.29 0.05 -1.26 0.72 135.00 137.93 2k5g s PRO 28 Ca 0.07 1.14 0.00 0.00 0.05 0.00 0.00 61.00 62.26 2k5g s PRO 28 Cb -0.07 -2.92 0.00 0.00 0.05 0.00 0.00 34.50 31.56 2k5g s PRO 28 CO 0.04 0.38 0.00 0.41 0.05 0.00 0.00 177.00 177.87 2k5g n GLY 29 N 0.81 3.39 0.20 0.56 0.00 -0.84 -4.41 105.19 104.91 2k5g n GLY 29 Ca -0.01 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2k5g n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5g h PRO 30 N 0.00 -0.38 0.00 1.61 0.13 -1.75 -1.75 132.00 129.85 2k5g h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k5g h PRO 30 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2k5g h PRO 30 CO 0.00 -0.26 0.00 1.51 -0.23 0.00 0.00 178.00 179.02 2k5g n ILE 31 N -5.28 0.00 0.12 -3.56 3.06 -1.26 -4.22 119.36 108.22 2k5g n ILE 31 Ca -0.09 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.15 2k5g n ILE 31 Cb 0.19 0.00 0.26 0.00 0.54 0.00 0.00 39.64 40.64 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 0.15 0.56 9.51 5.08 -1.90 -3.08 114.58 124.90 2k5g h GLU 32 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2k5g h GLU 32 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k5g h GLU 32 CO 0.00 0.54 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.17 2k5g h ARG 33 N 0.13 -0.75 -0.43 2.33 2.43 -1.92 -2.54 114.38 113.63 2k5g h ARG 33 Ca 0.01 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2k5g h ARG 33 Cb 0.78 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2k5g h ARG 33 CO 0.06 -0.50 0.29 0.28 -1.51 0.00 0.00 179.97 178.59 2k5g h VAL 34 N -0.78 0.97 -0.82 0.20 2.07 -1.76 -1.62 116.25 114.51 2k5g h VAL 34 Ca -0.07 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2k5g h VAL 34 Cb 0.61 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 2k5g h VAL 34 CO 0.11 0.07 0.52 -0.25 0.02 0.00 0.00 177.57 178.03 2k5g h TRP 35 N 0.36 0.97 -0.58 1.57 2.91 -1.37 -2.43 115.95 117.38 2k5g h TRP 35 Ca 0.19 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.33 2k5g h TRP 35 Cb 0.29 -0.32 -0.08 0.00 -0.51 0.00 0.00 29.16 28.54 2k5g h TRP 35 CO -0.00 0.55 0.16 0.00 -1.03 0.00 0.00 178.44 178.12 2k5g h ALA 36 N 1.35 0.71 0.00 2.65 0.00 -1.10 0.23 119.26 123.10 2k5g h ALA 36 Ca 0.33 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2k5g h ALA 36 Cb 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k5g h ALA 36 CO -0.12 -0.27 -0.12 -1.49 0.00 0.00 0.00 179.25 177.26 2k5g h TRP 37 N 0.31 0.00 0.02 0.00 6.55 -1.52 0.32 115.95 121.62 2k5g h TRP 37 Ca 0.30 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.85 2k5g h TRP 37 Cb 0.41 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.67 2k5g h TRP 37 CO -0.21 0.12 -1.63 -0.07 -1.05 0.00 0.00 178.44 175.59 2k5g h LEU 38 N 0.00 0.05 0.00 -4.49 3.38 -0.51 -3.42 115.31 110.32 2k5g h LEU 38 Ca -0.00 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 2k5g h LEU 38 Cb 0.44 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2k5g h LEU 38 CO 0.02 1.09 -1.77 0.00 0.09 0.00 0.00 178.44 177.86 2k5g n ALA 39 N -2.57 1.80 -2.47 1.53 0.00 0.52 -4.90 120.51 114.43 2k5g n ALA 39 Ca -0.16 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 2k5g n ALA 39 Cb 1.04 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.41 2k5g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 40 N -4.31 6.23 0.04 0.00 -1.08 0.11 -4.78 116.67 112.88 2k5g s ASP 40 Ca -0.06 0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.33 2k5g s ASP 40 Cb 0.04 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.86 2k5g s ASP 40 CO 0.48 -1.66 1.70 0.00 0.52 0.00 0.00 175.17 176.21 2k5g n ALA 41 N 9.21 1.98 -0.03 3.66 0.00 -1.26 -2.00 120.51 132.06 2k5g n ALA 41 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2k5g n ALA 41 Cb 0.49 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 2k5g n ALA 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k5g h ASP 42 N 0.00 -0.04 -0.09 0.00 3.58 -1.91 -3.00 116.42 114.96 2k5g h ASP 42 Ca 0.00 -0.61 -0.24 0.00 0.42 0.00 0.00 57.03 56.60 2k5g h ASP 42 Cb 0.40 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.47 2k5g h ASP 42 CO 0.00 0.71 -0.89 0.07 -2.88 0.00 0.00 179.24 176.25 2k5g h LYS 43 N -0.92 0.76 -0.64 0.28 2.10 -1.94 -3.36 116.57 112.86 2k5g h LYS 43 Ca -0.01 -0.70 0.00 0.00 -2.00 0.00 0.00 60.65 57.94 2k5g h LYS 43 Cb 0.65 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2k5g h LYS 43 CO 0.01 1.29 0.00 0.54 -2.00 0.00 0.00 179.45 179.29 2k5g n ARG 44 N -3.90 3.26 0.00 0.07 5.12 -0.85 -3.89 116.66 116.46 2k5g n ARG 44 Ca -0.09 -2.73 0.06 0.00 -1.93 0.00 0.00 57.85 53.16 2k5g n ARG 44 Cb 0.81 -1.71 0.30 0.00 -1.16 0.00 0.00 32.46 30.69 2k5g n ARG 44 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k5g n ALA 45 N 1.20 1.75 -0.18 7.54 0.00 -1.13 -1.57 120.51 128.12 2k5g n ALA 45 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.65 2k5g n ALA 45 Cb 0.75 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 19.08 2k5g n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5g n ARG 46 N -1.20 2.82 0.00 0.00 1.74 -1.25 -3.85 116.66 114.91 2k5g n ARG 46 Ca 0.06 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 2k5g n ARG 46 Cb 0.07 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2k5g n TRP 47 N -0.29 0.00 0.00 -1.55 4.27 -0.86 -4.80 117.44 114.21 2k5g n TRP 47 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 2k5g n TRP 47 Cb 0.36 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 2k5g n TRP 47 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2k5g n LEU 48 N -1.98 0.00 -3.56 5.67 7.94 -0.61 -5.00 117.00 119.46 2k5g n LEU 48 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2k5g n LEU 48 Cb 0.34 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.27 2k5g n LEU 48 CO 0.00 -0.14 0.89 0.00 -1.11 0.00 0.00 177.39 177.03 2k5g s ALA 49 N -2.12 -1.98 -0.93 1.96 0.00 -1.07 -3.90 121.76 113.71 2k5g s ALA 49 Ca 0.00 1.40 -0.07 0.00 0.00 0.00 0.00 51.96 53.29 2k5g s ALA 49 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 2k5g s ALA 49 CO 0.00 -0.62 2.97 0.41 0.00 0.00 0.00 175.76 178.52 2k5g n GLY 50 N -0.13 4.18 3.47 0.00 0.00 0.14 -3.71 105.19 109.14 2k5g n GLY 50 Ca -0.03 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 2k5g n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 51 N 1.38 2.07 0.59 -0.02 0.00 -1.25 -4.10 107.32 105.99 2k5g s GLY 51 Ca 0.63 -3.01 -0.16 0.00 0.00 0.00 0.00 44.72 42.19 2k5g s GLY 51 CO -0.08 2.14 1.06 -0.54 0.00 0.00 0.00 173.10 175.67 2k5g s GLU 52 N 2.49 3.31 0.10 2.90 0.41 -1.23 -4.67 118.70 122.01 2k5g s GLU 52 Ca 0.40 1.22 -0.12 0.00 -0.41 0.00 0.00 54.97 56.05 2k5g s GLU 52 Cb -0.03 -2.03 -0.06 0.00 -1.78 0.00 0.00 34.13 30.23 2k5g s GLU 52 CO -0.04 -0.82 0.47 -0.51 -0.49 0.00 0.00 175.26 173.87 2k5g s LEU 53 N -4.48 4.36 0.00 1.80 1.43 -1.26 -4.12 118.68 116.40 2k5g s LEU 53 Ca 0.64 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2k5g s LEU 53 Cb -0.16 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2k5g s LEU 53 CO 0.37 0.15 0.00 -0.81 0.23 0.00 0.00 176.35 176.29 2k5g n PRO 54 N 0.93 0.46 -0.01 1.29 -0.04 -1.26 -5.03 135.00 131.34 2k5g n PRO 54 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 2k5g n PRO 54 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.84 2k5g n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k5g n ARG 55 N -0.59 0.69 -4.25 0.54 5.12 -1.26 -4.91 116.66 111.99 2k5g n ARG 55 Ca 0.00 0.27 -0.34 0.00 -1.93 0.00 0.00 57.85 55.86 2k5g n ARG 55 Cb 0.00 -1.75 -0.08 0.00 -1.16 0.00 0.00 32.46 29.46 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2k5g s GLN 56 N -2.58 2.95 -0.35 5.56 -0.21 -1.26 -5.07 119.66 118.70 2k5g s GLN 56 Ca -0.12 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 54.48 2k5g s GLN 56 Cb 0.07 -2.78 0.01 0.00 1.00 0.00 0.00 33.01 31.31 2k5g s GLN 56 CO 0.80 0.66 1.33 -2.14 -2.12 0.00 0.00 175.29 173.82 2k5g s PRO 57 N -1.34 3.78 0.00 2.91 0.02 -1.26 -2.73 135.00 136.38 2k5g s PRO 57 Ca 0.18 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.29 2k5g s PRO 57 Cb -0.12 -3.93 0.00 0.00 0.02 0.00 0.00 34.50 30.47 2k5g s PRO 57 CO 0.08 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2k5g n GLY 58 N 4.61 1.64 3.88 0.52 0.00 -1.20 -5.02 105.19 109.62 2k5g n GLY 58 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N 0.00 2.96 0.00 1.61 -0.21 -1.10 -4.62 119.66 118.30 2k5g s GLN 59 Ca 0.00 0.49 -0.17 0.00 0.02 0.00 0.00 55.36 55.69 2k5g s GLN 59 Cb 0.00 -2.04 -0.06 0.00 1.00 0.00 0.00 33.01 31.92 2k5g s GLN 59 CO 0.00 -0.96 0.49 0.95 -2.12 0.00 0.00 175.29 173.65 2k5g s THR 60 N -3.33 4.95 0.33 -0.19 -4.23 -1.26 -1.53 115.64 110.38 2k5g s THR 60 Ca 0.58 1.03 0.08 0.00 -1.18 0.00 0.00 61.69 62.20 2k5g s THR 60 Cb -0.11 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 2k5g s THR 60 CO 0.52 0.51 0.16 0.72 -0.54 0.00 0.00 174.62 175.99 2k5g s PHE 61 N -0.70 2.75 -0.33 3.99 -0.71 0.11 -4.81 117.98 118.27 2k5g s PHE 61 Ca 0.27 -0.35 -0.12 0.00 -1.04 0.00 0.00 56.93 55.68 2k5g s PHE 61 Cb -0.18 -1.63 -0.02 0.00 -1.21 0.00 0.00 43.02 39.98 2k5g s PHE 61 CO 0.15 0.34 0.23 -1.21 -1.34 0.00 0.00 175.22 173.39 2k5g s GLU 62 N -3.86 3.53 -0.15 1.99 2.02 -1.26 -0.80 118.70 120.17 2k5g s GLU 62 Ca 0.38 -0.62 -0.15 0.00 0.02 0.00 0.00 54.97 54.60 2k5g s GLU 62 Cb -0.03 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 2k5g s GLU 62 CO 0.23 -0.42 0.33 -1.17 0.02 0.00 0.00 175.26 174.25 2k5g s LEU 63 N 1.72 4.25 -0.24 1.80 2.96 0.44 -3.53 118.68 126.08 2k5g s LEU 63 Ca 0.06 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2k5g s LEU 63 Cb -0.17 -2.44 0.07 0.00 0.50 0.00 0.00 46.19 44.15 2k5g s LEU 63 CO 0.10 0.09 0.05 -2.28 -1.32 0.00 0.00 176.35 172.98 2k5g s HIS 64 N 0.46 1.41 0.88 5.38 5.65 -1.25 -0.54 115.29 127.28 2k5g s HIS 64 Ca 0.18 -1.26 -0.12 0.00 0.25 0.00 0.00 55.06 54.11 2k5g s HIS 64 Cb -0.13 -1.31 0.07 0.00 -1.18 0.00 0.00 32.58 30.02 2k5g s HIS 64 CO 0.05 -0.72 0.81 1.19 -0.65 0.00 0.00 174.74 175.42 2k5g n PHE 65 N 4.94 -0.10 -1.71 3.88 3.72 0.68 0.28 117.46 129.15 2k5g n PHE 65 Ca -0.07 0.33 -0.41 0.00 -0.05 0.00 0.00 57.45 57.25 2k5g n PHE 65 Cb 0.45 -1.93 0.01 0.00 -0.94 0.00 0.00 39.48 37.07 2k5g n PHE 65 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2k5g n ASN 66 N -2.49 2.72 -3.83 4.37 2.04 -1.25 -4.25 115.26 112.56 2k5g n ASN 66 Ca 0.10 1.12 -0.39 0.00 -0.44 0.00 0.00 54.58 54.97 2k5g n ASN 66 Cb 0.52 -1.52 -0.01 0.00 -2.53 0.00 0.00 39.78 36.24 2k5g n ASN 66 CO 0.00 0.00 0.00 1.57 -0.44 0.00 0.00 177.26 178.39 2k5g n HIS 67 N -0.17 2.61 0.00 -2.53 -0.00 -1.26 -3.64 115.22 110.23 2k5g n HIS 67 Ca 0.06 -2.97 0.00 0.00 0.46 0.00 0.00 57.72 55.27 2k5g n HIS 67 Cb 0.40 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.20 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k5g n ALA 68 N 1.11 0.00 -0.61 1.57 0.00 -1.26 -5.05 120.51 116.27 2k5g n ALA 68 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2k5g n ALA 68 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g n ALA 69 N 0.00 -2.71 0.07 0.00 0.00 -1.26 -2.69 120.51 113.92 2k5g n ALA 69 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2k5g n ALA 69 Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 2k5g n ALA 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k5g h LEU 70 N 0.96 -0.18 -7.00 0.00 3.38 -1.87 -3.40 115.31 107.20 2k5g h LEU 70 Ca 0.00 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.22 2k5g h LEU 70 Cb 0.00 0.07 -0.26 0.00 0.09 0.00 0.00 40.66 40.55 2k5g h LEU 70 CO 0.00 -0.10 0.91 0.28 0.09 0.00 0.00 178.44 179.61 2k5g s THR 71 N -6.17 0.00 -0.31 0.22 -1.32 -1.26 -4.72 115.64 102.07 2k5g s THR 71 Ca -0.14 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.30 2k5g s THR 71 Cb 0.07 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.25 2k5g s THR 71 CO 0.66 0.00 0.88 0.00 -2.21 0.00 0.00 174.62 173.95 2k5g s ALA 72 N -1.12 -3.50 0.06 11.08 0.00 -1.26 -4.58 121.76 122.44 2k5g s ALA 72 Ca 0.08 1.15 -0.34 0.00 0.00 0.00 0.00 51.96 52.85 2k5g s ALA 72 Cb -0.01 -2.78 -0.19 0.00 0.00 0.00 0.00 23.12 20.14 2k5g s ALA 72 CO -0.06 -2.10 1.57 0.93 0.00 0.00 0.00 175.76 176.10 2k5g h GLU 73 N 7.14 -1.01 -2.49 0.00 5.08 -1.86 -3.40 114.58 118.04 2k5g h GLU 73 Ca -0.05 0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2k5g h GLU 73 Cb 1.19 0.23 -0.25 0.00 0.50 0.00 0.00 28.75 30.42 2k5g h GLU 73 CO -0.01 -0.67 -0.22 0.99 -1.00 0.00 0.00 179.01 178.10 2k5g s THR 74 N -5.93 -0.02 0.01 1.13 2.01 -1.26 -5.03 115.64 106.54 2k5g s THR 74 Ca -0.18 0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.90 2k5g s THR 74 Cb 0.03 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 2k5g s THR 74 CO 0.60 0.03 -0.05 0.00 -0.69 0.00 0.00 174.62 174.52 2k5g s ALA 75 N 1.43 0.36 0.43 7.40 0.00 -1.26 -5.10 121.76 125.02 2k5g s ALA 75 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2k5g s ALA 75 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2k5g s ALA 75 CO -0.14 0.05 0.00 -0.35 0.00 0.00 0.00 175.76 175.32 2k5g n PRO 76 N 2.68 1.54 -0.12 0.00 -0.04 -1.26 -4.73 135.00 133.07 2k5g n PRO 76 Ca -0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 2k5g n PRO 76 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 2k5g n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5g h ALA 77 N -1.10 -0.32 0.00 0.55 0.00 -2.01 -0.11 119.26 116.27 2k5g h ALA 77 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k5g h ALA 77 Cb 0.00 0.81 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k5g h ALA 77 CO 0.00 -0.80 0.00 -2.13 0.00 0.00 0.00 179.25 176.32 2k5g n ARG 78 N -5.42 0.17 -0.00 0.00 0.63 -1.26 -2.52 116.66 108.25 2k5g n ARG 78 Ca 0.00 0.07 0.07 0.00 -0.92 0.00 0.00 57.85 57.07 2k5g n ARG 78 Cb 0.35 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.66 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2k5g n TYR 79 N -1.40 0.00 0.39 -0.14 4.01 -0.70 -4.40 117.16 114.92 2k5g n TYR 79 Ca 0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.96 2k5g n TYR 79 Cb 0.24 -0.24 0.52 0.00 -0.31 0.00 0.00 39.34 39.55 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5g h ALA 80 N 1.34 1.00 0.00 -0.72 0.00 -0.75 -2.74 119.26 117.39 2k5g h ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5g h ALA 80 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k5g h ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2k5g n GLN 81 N -2.49 0.10 0.00 0.00 10.64 -1.24 -1.71 117.38 122.67 2k5g n GLN 81 Ca 0.02 0.33 0.11 0.00 -1.83 0.00 0.00 57.00 55.63 2k5g n GLN 81 Cb 0.28 -1.68 0.05 0.00 -0.86 0.00 0.00 30.24 28.03 2k5g n GLN 81 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k5g n TYR 82 N -1.87 0.00 0.69 2.61 4.01 -1.03 -4.11 117.16 117.47 2k5g n TYR 82 Ca 0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2k5g n TYR 82 Cb 0.20 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k5g n ASP 83 N -0.63 1.30 -4.37 7.72 2.03 -0.70 -4.39 116.55 117.51 2k5g n ASP 83 Ca 0.08 -1.15 -0.31 0.00 0.52 0.00 0.00 54.79 53.94 2k5g n ASP 83 Cb 0.40 0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 41.30 2k5g n ASP 83 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k5g s ARG 84 N -2.04 1.94 -0.66 -0.67 0.52 -1.13 -4.61 118.95 112.30 2k5g s ARG 84 Ca 0.10 -1.04 -0.27 0.00 -0.52 0.00 0.00 55.73 54.01 2k5g s ARG 84 Cb 0.12 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.55 2k5g s ARG 84 CO 0.46 0.53 1.37 -1.25 0.02 0.00 0.00 175.30 176.44 2k5g s PRO 85 N -1.17 3.20 -0.09 3.54 0.04 -1.24 -4.60 135.00 134.67 2k5g s PRO 85 Ca 0.12 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.29 2k5g s PRO 85 Cb -0.10 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 2k5g s PRO 85 CO 0.02 -2.10 -0.15 0.42 0.04 0.00 0.00 177.00 175.23 2k5g s ILE 86 N 6.11 2.95 -0.10 0.56 1.01 -1.26 -4.86 121.20 125.61 2k5g s ILE 86 Ca 0.44 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2k5g s ILE 86 Cb -0.09 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2k5g s ILE 86 CO 0.20 0.56 -0.18 0.54 0.00 0.00 0.00 174.94 176.06 2k5g s VAL 87 N -0.13 2.69 0.01 2.92 0.11 -1.25 -0.23 120.40 124.52 2k5g s VAL 87 Ca -0.02 -0.81 -0.10 0.00 -2.93 0.00 0.00 61.98 58.12 2k5g s VAL 87 Cb -0.14 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.65 2k5g s VAL 87 CO 0.04 0.55 0.20 0.00 -3.33 0.00 0.00 175.10 172.56 2k5g s ALA 88 N 0.04 -0.46 0.29 1.54 0.00 0.30 -4.94 121.76 118.52 2k5g s ALA 88 Ca -0.07 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 2k5g s ALA 88 Cb -0.15 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 2k5g s ALA 88 CO 0.05 -0.26 0.77 -0.98 0.00 0.00 0.00 175.76 175.34 2k5g s ARG 89 N -1.68 4.19 -0.08 0.00 1.70 -1.26 -0.42 118.95 121.40 2k5g s ARG 89 Ca -0.12 0.86 -0.05 0.00 -0.47 0.00 0.00 55.73 55.95 2k5g s ARG 89 Cb -0.05 -2.64 0.04 0.00 -0.57 0.00 0.00 34.95 31.72 2k5g s ARG 89 CO 0.01 0.26 0.19 -1.01 -1.08 0.00 0.00 175.30 173.67 2k5g s HIS 90 N -1.76 -0.23 0.19 5.89 3.76 0.02 -4.92 115.29 118.23 2k5g s HIS 90 Ca 0.49 0.59 -0.30 0.00 -0.15 0.00 0.00 55.06 55.70 2k5g s HIS 90 Cb -0.14 0.01 -0.08 0.00 1.11 0.00 0.00 32.58 33.48 2k5g s HIS 90 CO 0.19 -0.17 0.99 0.99 -0.85 0.00 0.00 174.74 175.89 2k5g s THR 91 N 0.90 4.12 -0.06 1.30 2.01 -1.26 0.04 115.64 122.69 2k5g s THR 91 Ca -0.07 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 2k5g s THR 91 Cb -0.08 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2k5g s THR 91 CO -0.05 0.40 1.34 -0.76 -0.69 0.00 0.00 174.62 174.85 2k5g s LEU 92 N -0.71 4.27 -0.14 4.42 1.43 -0.58 -3.39 118.68 123.98 2k5g s LEU 92 Ca 0.44 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 2k5g s LEU 92 Cb -0.26 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 2k5g s LEU 92 CO 0.33 -0.71 -0.21 -0.11 0.23 0.00 0.00 176.35 175.87 2k5g n LEU 93 N 5.80 1.72 -4.07 1.79 -0.00 -0.21 -3.27 117.00 118.75 2k5g n LEU 93 Ca 0.13 0.53 -0.18 0.00 -0.00 0.00 0.00 56.01 56.49 2k5g n LEU 93 Cb 0.44 -0.81 -0.14 0.00 -0.00 0.00 0.00 43.42 42.91 2k5g n LEU 93 CO 0.57 -0.43 -0.44 -0.60 -0.00 0.00 0.00 177.39 176.50 2k5g s ARG 94 N -2.32 0.76 -0.30 1.96 3.52 -0.89 -4.86 118.95 116.82 2k5g s ARG 94 Ca -0.17 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 54.83 2k5g s ARG 94 Cb 0.02 -0.72 0.19 0.00 -1.56 0.00 0.00 34.95 32.88 2k5g s ARG 94 CO 0.26 0.18 0.84 0.00 -0.81 0.00 0.00 175.30 175.76 2k5g s GLU 96 N 2.90 1.36 0.24 0.00 -1.05 -0.56 -5.02 118.70 116.58 2k5g s GLU 96 Ca 0.13 -2.16 -0.30 0.00 -0.15 0.00 0.00 54.97 52.49 2k5g s GLU 96 Cb -0.10 -2.31 -0.09 0.00 -0.44 0.00 0.00 34.13 31.19 2k5g s GLU 96 CO -0.19 -1.21 1.00 -2.14 0.95 0.00 0.00 175.26 173.68 2k5g s PRO 97 N 0.12 4.76 -0.48 -4.83 0.02 -1.26 -1.30 135.00 132.03 2k5g s PRO 97 Ca 0.21 1.61 -0.16 0.00 0.02 0.00 0.00 61.00 62.68 2k5g s PRO 97 Cb -0.18 -3.25 0.08 0.00 0.02 0.00 0.00 34.50 31.16 2k5g s PRO 97 CO -0.04 0.38 0.40 -1.25 -0.33 0.00 0.00 177.00 176.16 2k5g s PRO 98 N -1.18 2.98 0.00 5.54 0.04 -1.26 -5.04 135.00 136.08 2k5g s PRO 98 Ca 0.43 -1.38 0.00 0.00 0.04 0.00 0.00 61.00 60.09 2k5g s PRO 98 Cb -0.28 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2k5g s PRO 98 CO 0.35 -1.05 0.00 -2.13 0.04 0.00 0.00 177.00 174.21 2k5g n ARG 99 N 5.21 0.00 -4.25 4.56 3.00 -0.42 -4.83 116.66 119.93 2k5g n ARG 99 Ca -0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.56 2k5g n ARG 99 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.79 2k5g n ARG 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k5g s VAL 100 N -0.30 1.28 0.02 5.15 -7.23 -1.17 -3.16 120.40 114.99 2k5g s VAL 100 Ca 0.00 -1.87 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2k5g s VAL 100 Cb 0.00 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2k5g s VAL 100 CO 0.00 -0.55 0.00 -1.48 -0.31 0.00 0.00 175.10 172.76 2k5g s LEU 101 N -2.76 2.15 -0.14 1.32 0.05 -0.41 -1.49 118.68 117.40 2k5g s LEU 101 Ca 0.12 -0.52 -0.10 0.00 0.05 0.00 0.00 54.13 53.68 2k5g s LEU 101 Cb -0.02 0.22 0.04 0.00 -2.05 0.00 0.00 46.19 44.39 2k5g s LEU 101 CO 0.02 -0.36 0.35 0.00 -0.55 0.00 0.00 176.35 175.82 2k5g s ALA 102 N -1.79 -0.88 0.40 1.48 0.00 0.33 0.15 121.76 121.46 2k5g s ALA 102 Ca -0.13 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2k5g s ALA 102 Cb -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2k5g s ALA 102 CO -0.02 -0.20 0.14 -0.48 0.00 0.00 0.00 175.76 175.20 2k5g s LEU 103 N 0.74 1.97 0.04 0.00 2.34 -0.18 -1.05 118.68 122.54 2k5g s LEU 103 Ca -0.04 -1.69 0.03 0.00 0.06 0.00 0.00 54.13 52.48 2k5g s LEU 103 Cb -0.06 -0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.51 2k5g s LEU 103 CO -0.05 -0.95 -0.09 0.28 -1.06 0.00 0.00 176.35 174.48 2k5g s THR 104 N -3.23 0.65 0.22 5.48 -1.32 -1.22 0.54 115.64 116.76 2k5g s THR 104 Ca 0.25 -1.04 -0.22 0.00 -1.21 0.00 0.00 61.69 59.46 2k5g s THR 104 Cb 0.02 -0.68 0.06 0.00 -1.51 0.00 0.00 72.50 70.39 2k5g s THR 104 CO 0.16 -0.29 0.91 -1.66 -2.21 0.00 0.00 174.62 171.52 2k5g s TRP 105 N -1.23 -0.06 0.00 9.09 -2.14 -0.08 -4.51 118.94 120.02 2k5g s TRP 105 Ca -0.07 -0.35 0.00 0.00 2.66 0.00 0.00 56.10 58.34 2k5g s TRP 105 Cb -0.09 0.70 0.00 0.00 -3.10 0.00 0.00 33.47 30.97 2k5g s TRP 105 CO 0.01 -1.03 0.00 0.41 -2.66 0.00 0.00 176.95 173.67 2k5g n GLY 106 N -0.53 0.54 2.81 3.67 0.00 -1.26 -1.30 105.19 109.12 2k5g n GLY 106 Ca -0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2k5g n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 107 N -2.61 2.06 -0.04 -0.02 0.00 -1.26 -4.48 107.32 100.97 2k5g s GLY 107 Ca 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 44.72 41.75 2k5g s GLY 107 CO 0.00 1.32 -0.05 0.61 0.00 0.00 0.00 173.10 174.99 2k5g n GLY 108 N 3.20 -0.06 3.64 0.20 0.00 -1.26 -4.56 105.19 106.35 2k5g n GLY 108 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 109 N -2.08 -2.04 0.00 4.61 0.00 -1.26 -4.97 121.76 116.02 2k5g s ALA 109 Ca -0.06 2.32 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2k5g s ALA 109 Cb 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2k5g s ALA 109 CO 0.09 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2k5g n GLY 110 N 4.01 3.15 3.63 0.00 0.00 -1.26 -5.04 105.19 109.68 2k5g n GLY 110 Ca -0.19 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 2k5g n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5g s GLU 111 N 0.00 1.52 0.42 1.61 0.41 -1.26 -5.15 118.70 116.24 2k5g s GLU 111 Ca 0.00 -0.90 -0.24 0.00 -0.41 0.00 0.00 54.97 53.42 2k5g s GLU 111 Cb 0.00 0.55 -0.08 0.00 -1.78 0.00 0.00 34.13 32.82 2k5g s GLU 111 CO 0.00 -0.66 1.15 0.00 -0.49 0.00 0.00 175.26 175.25 2k5g s ALA 112 N -3.89 3.08 0.13 5.21 0.00 -1.26 -4.40 121.76 120.64 2k5g s ALA 112 Ca 0.10 0.92 -0.34 0.00 0.00 0.00 0.00 51.96 52.64 2k5g s ALA 112 Cb -0.03 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 2k5g s ALA 112 CO 0.00 -0.52 1.61 -2.30 0.00 0.00 0.00 175.76 174.55 2k5g n PRO 113 N -0.13 2.15 -1.70 0.00 -0.02 -1.26 -4.73 135.00 129.31 2k5g n PRO 113 Ca 0.05 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 2k5g n PRO 113 Cb 0.47 -2.55 0.05 0.00 -0.02 0.00 0.00 33.50 31.45 2k5g n PRO 113 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2k5g s SER 114 N 1.29 5.18 -0.07 2.55 1.04 -0.42 -4.72 113.70 118.55 2k5g s SER 114 Ca 0.80 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 59.10 2k5g s SER 114 Cb -0.68 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 62.87 2k5g s SER 114 CO 0.40 -1.58 -0.03 -1.83 0.98 0.00 0.00 173.24 171.18 2k5g s GLU 115 N -4.38 2.87 -0.30 4.02 -1.05 -0.21 -0.90 118.70 118.75 2k5g s GLU 115 Ca 0.64 -0.48 -0.01 0.00 -0.15 0.00 0.00 54.97 54.96 2k5g s GLU 115 Cb -0.18 -2.70 0.05 0.00 -0.44 0.00 0.00 34.13 30.86 2k5g s GLU 115 CO 0.45 0.68 -0.01 0.08 0.95 0.00 0.00 175.26 177.41 2k5g s VAL 116 N -0.87 2.90 -0.19 1.83 1.01 0.19 -0.35 120.40 124.92 2k5g s VAL 116 Ca 0.13 -1.41 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 2k5g s VAL 116 Cb -0.11 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2k5g s VAL 116 CO 0.02 -0.10 0.08 -0.22 0.00 0.00 0.00 175.10 174.88 2k5g s LEU 117 N 1.24 3.86 -0.24 3.92 1.98 0.11 -1.01 118.68 128.54 2k5g s LEU 117 Ca -0.06 0.08 -0.05 0.00 -2.89 0.00 0.00 54.13 51.22 2k5g s LEU 117 Cb -0.20 -1.99 -0.01 0.00 0.66 0.00 0.00 46.19 44.66 2k5g s LEU 117 CO -0.01 0.15 0.01 -0.36 -1.89 0.00 0.00 176.35 174.25 2k5g s PHE 118 N 0.50 3.04 -0.21 5.38 0.08 0.12 0.29 117.98 127.17 2k5g s PHE 118 Ca 0.04 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.24 2k5g s PHE 118 Cb -0.12 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2k5g s PHE 118 CO 0.01 -0.52 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.24 2k5g s GLU 119 N 1.51 2.75 -0.23 0.44 2.02 -0.20 -1.28 118.70 123.71 2k5g s GLU 119 Ca 0.05 -1.00 -0.10 0.00 0.02 0.00 0.00 54.97 53.95 2k5g s GLU 119 Cb -0.15 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 2k5g s GLU 119 CO -0.01 -0.33 0.13 -0.51 0.02 0.00 0.00 175.26 174.57 2k5g s LEU 120 N 1.24 4.00 0.05 1.80 1.43 -1.19 -0.20 118.68 125.80 2k5g s LEU 120 Ca 0.00 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2k5g s LEU 120 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2k5g s LEU 120 CO -0.10 0.08 0.01 -0.44 0.23 0.00 0.00 176.35 176.13 2k5g s SER 121 N 0.99 5.13 -0.14 2.29 0.01 0.34 -4.77 113.70 117.56 2k5g s SER 121 Ca 0.07 -0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 2k5g s SER 121 Cb -0.13 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 2k5g s SER 121 CO 0.04 0.22 0.16 -1.83 0.41 0.00 0.00 173.24 172.24 2k5g s GLU 122 N -1.99 3.70 -0.19 12.44 -1.05 -1.26 -0.41 118.70 129.94 2k5g s GLU 122 Ca 0.23 -0.11 0.14 0.00 -0.15 0.00 0.00 54.97 55.08 2k5g s GLU 122 Cb -0.12 -3.26 0.43 0.00 -0.44 0.00 0.00 34.13 30.75 2k5g s GLU 122 CO 0.15 0.63 1.20 0.00 0.95 0.00 0.00 175.26 178.19 2k5g n ALA 123 N 2.44 3.62 0.00 -0.84 0.00 0.93 -4.90 120.51 121.75 2k5g n ALA 123 Ca -0.18 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.06 2k5g n ALA 123 Cb 0.54 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2k5g n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 124 N -0.72 2.14 0.86 0.00 0.00 -1.26 -3.70 105.19 102.51 2k5g n GLY 124 Ca 0.21 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k5g n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 125 N 0.00 2.18 -4.17 1.61 1.02 -1.26 -4.04 120.64 115.98 2k5g n GLU 125 Ca 0.00 -1.99 -0.13 0.00 -0.02 0.00 0.00 57.16 55.02 2k5g n GLU 125 Cb 0.00 -1.38 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 2k5g n GLU 125 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2k5g s GLN 126 N -1.20 1.41 -0.06 3.49 -2.07 -0.67 -1.98 119.66 118.58 2k5g s GLN 126 Ca 0.29 -1.63 0.01 0.00 -1.82 0.00 0.00 55.36 52.21 2k5g s GLN 126 Cb 0.17 0.33 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 2k5g s GLN 126 CO 0.23 -0.51 -0.07 0.08 -1.32 0.00 0.00 175.29 173.70 2k5g s VAL 127 N -3.93 0.79 -0.44 3.63 1.01 0.22 -0.05 120.40 121.62 2k5g s VAL 127 Ca 0.36 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 2k5g s VAL 127 Cb 0.04 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2k5g s VAL 127 CO 0.15 0.29 0.40 -0.60 0.00 0.00 0.00 175.10 175.34 2k5g s ARG 128 N 1.07 3.03 -0.21 2.72 3.52 0.45 0.23 118.95 129.76 2k5g s ARG 128 Ca -0.08 -1.02 -0.16 0.00 -0.13 0.00 0.00 55.73 54.34 2k5g s ARG 128 Cb -0.14 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 2k5g s ARG 128 CO -0.01 -0.91 0.42 -1.17 -0.81 0.00 0.00 175.30 172.82 2k5g s LEU 129 N 1.91 4.13 -0.26 -0.88 0.20 0.13 -0.50 118.68 123.41 2k5g s LEU 129 Ca 0.08 0.50 -0.01 0.00 0.69 0.00 0.00 54.13 55.39 2k5g s LEU 129 Cb -0.20 -2.53 0.03 0.00 -0.43 0.00 0.00 46.19 43.06 2k5g s LEU 129 CO 0.10 -0.12 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.30 2k5g s VAL 130 N 1.51 2.81 -0.22 1.68 1.01 0.72 -0.56 120.40 127.35 2k5g s VAL 130 Ca 0.19 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 2k5g s VAL 130 Cb -0.15 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2k5g s VAL 130 CO 0.08 0.13 0.66 -0.22 0.00 0.00 0.00 175.10 175.76 2k5g s LEU 131 N 1.29 4.12 -0.33 3.92 0.20 0.15 -1.03 118.68 126.99 2k5g s LEU 131 Ca -0.02 0.84 0.03 0.00 0.69 0.00 0.00 54.13 55.68 2k5g s LEU 131 Cb -0.17 -2.93 0.09 0.00 -0.43 0.00 0.00 46.19 42.75 2k5g s LEU 131 CO -0.04 -0.33 0.04 -0.89 -0.29 0.00 0.00 176.35 174.83 2k5g s THR 132 N 2.19 2.11 -0.41 3.68 2.01 0.14 -0.54 115.64 124.82 2k5g s THR 132 Ca 0.29 -2.16 -0.15 0.00 0.31 0.00 0.00 61.69 59.99 2k5g s THR 132 Cb -0.16 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.85 2k5g s THR 132 CO 0.10 -0.54 0.30 -2.28 -0.69 0.00 0.00 174.62 171.51 2k5g s HIS 133 N 1.00 3.24 0.42 4.92 5.04 0.17 0.09 115.29 130.17 2k5g s HIS 133 Ca 0.08 -0.66 0.07 0.00 -1.54 0.00 0.00 55.06 53.01 2k5g s HIS 133 Cb -0.19 -2.62 -0.07 0.00 0.04 0.00 0.00 32.58 29.75 2k5g s HIS 133 CO -0.09 -0.61 0.07 0.99 -2.34 0.00 0.00 174.74 172.76 2k5g s THR 134 N 1.66 2.05 -0.81 0.89 2.01 0.53 -2.42 115.64 119.55 2k5g s THR 134 Ca 0.05 -1.89 -0.00 0.00 0.31 0.00 0.00 61.69 60.15 2k5g s THR 134 Cb -0.19 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.38 2k5g s THR 134 CO 0.09 0.00 0.02 -1.14 -0.69 0.00 0.00 174.62 172.91 2k5g n ARG 135 N -1.09 -0.88 -2.60 4.92 0.63 -1.26 -1.05 116.66 115.33 2k5g n ARG 135 Ca -0.04 0.46 -0.42 0.00 -0.92 0.00 0.00 57.85 56.93 2k5g n ARG 135 Cb 0.66 -4.48 -0.03 0.00 0.45 0.00 0.00 32.46 29.06 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k5g s LEU 136 N -2.80 3.45 0.10 6.15 1.43 -1.26 -4.42 118.68 121.33 2k5g s LEU 136 Ca 0.01 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2k5g s LEU 136 Cb -0.00 -2.94 -0.21 0.00 0.03 0.00 0.00 46.19 43.07 2k5g s LEU 136 CO 0.01 -1.56 1.22 0.00 0.23 0.00 0.00 176.35 176.25 2k5g h ALA 137 N 9.67 0.23 -2.69 4.21 0.00 -1.92 -3.47 119.26 125.29 2k5g h ALA 137 Ca -0.26 -0.85 -0.13 0.00 0.00 0.00 0.00 54.91 53.66 2k5g h ALA 137 Cb 1.06 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.61 2k5g h ALA 137 CO 1.21 1.02 -0.49 0.34 0.00 0.00 0.00 179.25 181.33 2k5g s ASP 138 N -7.01 0.07 0.57 0.00 2.15 -1.26 -5.03 116.67 106.15 2k5g s ASP 138 Ca -0.03 -0.32 0.27 0.00 0.43 0.00 0.00 52.55 52.90 2k5g s ASP 138 Cb 0.08 0.22 1.51 0.00 -0.30 0.00 0.00 42.92 44.44 2k5g s ASP 138 CO 0.86 -0.43 2.02 0.08 -0.17 0.00 0.00 175.17 177.53 2k5g h ARG 139 N 4.00 0.00 -0.49 4.34 -0.00 -1.96 0.00 114.38 120.27 2k5g h ARG 139 Ca -0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.63 2k5g h ARG 139 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.14 2k5g h ARG 139 CO 0.44 0.00 0.17 0.00 -0.00 0.00 0.00 179.97 180.59 2k5g h ALA 140 N 1.70 1.39 0.12 0.08 0.00 -1.97 0.48 119.26 121.06 2k5g h ALA 140 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k5g h ALA 140 Cb 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k5g h ALA 140 CO -0.00 0.46 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 2k5g h ALA 141 N 1.49 -0.16 -0.57 0.00 0.00 -1.41 0.33 119.26 118.95 2k5g h ALA 141 Ca 0.17 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2k5g h ALA 141 Cb 0.17 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2k5g h ALA 141 CO -0.01 -0.36 0.08 1.98 0.00 0.00 0.00 179.25 180.94 2k5g h MET 142 N -0.62 0.20 -0.13 0.00 -1.53 -1.40 0.22 114.93 111.67 2k5g h MET 142 Ca -0.02 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 2k5g h MET 142 Cb 0.48 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 2k5g h MET 142 CO 0.03 0.13 0.06 1.25 0.14 0.00 0.00 176.91 178.52 2k5g h LEU 143 N 0.20 0.15 -0.04 3.39 6.46 0.11 0.26 115.31 125.85 2k5g h LEU 143 Ca 0.29 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 2k5g h LEU 143 Cb 0.44 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2k5g h LEU 143 CO -0.41 0.13 -0.00 -0.78 -0.62 0.00 0.00 178.44 176.76 2k5g h ASP 144 N 0.18 0.07 0.90 1.25 1.82 0.29 -2.52 116.42 118.41 2k5g h ASP 144 Ca 0.05 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2k5g h ASP 144 Cb 0.02 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2k5g h ASP 144 CO -0.01 0.38 -0.33 1.33 -1.61 0.00 0.00 179.24 179.01 2k5g n VAL 145 N -4.88 0.21 0.10 2.25 0.24 -0.66 -3.74 118.33 111.84 2k5g n VAL 145 Ca -0.07 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 2k5g n VAL 145 Cb 0.19 -0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 2k5g n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k5g h ALA 146 N 2.78 -0.25 -0.34 2.33 0.00 -0.33 0.22 119.26 123.66 2k5g h ALA 146 Ca 0.00 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.05 2k5g h ALA 146 Cb 0.61 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2k5g h ALA 146 CO 0.00 -0.48 2.90 0.41 0.00 0.00 0.00 179.25 182.08 2k5g n GLY 147 N -0.30 4.71 0.00 0.00 0.00 -0.96 -3.91 105.19 104.72 2k5g n GLY 147 Ca -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2k5g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 148 N 2.52 -0.56 0.13 -0.02 0.00 -1.24 -4.90 105.19 101.12 2k5g n GLY 148 Ca 0.69 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.93 2k5g n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2k5g h TRP 149 N 0.00 0.38 -0.82 1.61 -0.00 -1.13 -2.83 115.95 113.16 2k5g h TRP 149 Ca 0.00 -0.07 0.17 0.00 -0.00 0.00 0.00 58.89 59.00 2k5g h TRP 149 Cb 0.00 -0.10 -0.11 0.00 -0.00 0.00 0.00 29.16 28.95 2k5g h TRP 149 CO 0.00 0.55 0.33 1.25 -0.00 0.00 0.00 178.44 180.57 2k5g h HIS 150 N 0.11 0.56 -0.39 2.65 2.76 -0.80 -0.70 115.15 119.34 2k5g h HIS 150 Ca 0.06 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 2k5g h HIS 150 Cb 0.40 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2k5g h HIS 150 CO 0.04 0.02 0.27 0.00 -1.30 0.00 0.00 177.93 176.95 2k5g h ALA 151 N 1.62 2.14 0.00 5.26 0.00 -1.70 -1.27 119.26 125.31 2k5g h ALA 151 Ca 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2k5g h ALA 151 Cb 0.80 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k5g h ALA 151 CO -0.46 -0.23 -0.03 1.12 0.00 0.00 0.00 179.25 179.65 2k5g h HIS 152 N 0.17 0.00 0.00 0.00 2.07 -1.17 -0.91 115.15 115.32 2k5g h HIS 152 Ca 0.18 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.65 2k5g h HIS 152 Cb 0.49 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 2k5g h HIS 152 CO -0.00 0.03 -0.23 -0.07 -3.07 0.00 0.00 177.93 174.59 2k5g h LEU 153 N 0.00 0.00 0.21 6.12 -0.00 -1.35 -1.10 115.31 119.19 2k5g h LEU 153 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.56 2k5g h LEU 153 Cb 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2k5g h LEU 153 CO 0.00 0.23 -1.45 0.00 -0.00 0.00 0.00 178.44 177.22 2k5g h ALA 154 N 1.77 -0.03 -0.51 1.53 0.00 -1.32 -3.19 119.26 117.51 2k5g h ALA 154 Ca -0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 2k5g h ALA 154 Cb 0.47 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k5g h ALA 154 CO 0.03 0.83 0.16 0.28 0.00 0.00 0.00 179.25 180.55 2k5g h VAL 155 N 0.12 1.23 0.63 0.00 2.07 -1.38 -1.21 116.25 117.71 2k5g h VAL 155 Ca -0.23 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 2k5g h VAL 155 Cb 2.10 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2k5g h VAL 155 CO 0.24 0.28 -0.44 -0.07 0.02 0.00 0.00 177.57 177.61 2k5g h LEU 156 N 0.69 -1.13 -0.57 2.57 3.38 -1.32 -0.76 115.31 118.18 2k5g h LEU 156 Ca 0.16 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2k5g h LEU 156 Cb 0.27 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2k5g h LEU 156 CO -0.01 -0.65 0.36 0.00 0.09 0.00 0.00 178.44 178.23 2k5g h ALA 157 N -0.81 0.73 -0.37 1.53 0.00 -1.53 0.37 119.26 119.18 2k5g h ALA 157 Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k5g h ALA 157 Cb 0.85 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2k5g h ALA 157 CO 0.05 0.11 0.17 0.78 0.00 0.00 0.00 179.25 180.36 2k5g h GLY 158 N 0.73 0.49 0.30 0.00 0.00 -1.14 -0.93 103.07 102.51 2k5g h GLY 158 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2k5g h GLY 158 CO -0.07 0.07 -0.03 1.70 0.00 0.00 0.00 176.54 178.21 2k5g h LYS 159 N 0.34 -0.08 -1.00 4.80 1.63 -0.69 0.43 116.57 122.01 2k5g h LYS 159 Ca 0.16 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.02 2k5g h LYS 159 Cb 0.10 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 2k5g h LYS 159 CO -0.13 0.52 0.65 -0.07 -3.45 0.00 0.00 179.45 176.97 2k5g h LEU 160 N -0.78 1.06 -0.85 5.20 3.38 -0.28 -0.94 115.31 122.11 2k5g h LEU 160 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k5g h LEU 160 Cb 0.63 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k5g h LEU 160 CO 0.01 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.24 2k5g n ALA 161 N -2.37 2.53 -3.05 1.53 0.00 -0.36 -4.69 120.51 114.10 2k5g n ALA 161 Ca 0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 2k5g n ALA 161 Cb 0.15 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.52 2k5g n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 162 N 1.03 -0.39 1.89 0.00 0.00 -0.36 -5.00 105.19 102.35 2k5g n GLY 162 Ca 0.15 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2k5g n GLY 162 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5g n GLN 163 N -3.88 0.19 -2.59 1.61 6.02 0.15 -5.03 117.38 113.86 2k5g n GLN 163 Ca -0.08 -1.30 -0.37 0.00 -0.01 0.00 0.00 57.00 55.24 2k5g n GLN 163 Cb 0.60 -0.35 -0.05 0.00 1.02 0.00 0.00 30.24 31.46 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k5g s ALA 164 N -3.04 3.18 0.63 -1.58 0.00 -1.26 -4.73 121.76 114.97 2k5g s ALA 164 Ca 0.33 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.81 2k5g s ALA 164 Cb -0.02 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2k5g s ALA 164 CO 0.22 -0.10 1.19 -1.25 0.00 0.00 0.00 175.76 175.81 2k5g s PRO 165 N -2.16 2.76 0.35 0.00 0.04 -1.26 -4.79 135.00 129.94 2k5g s PRO 165 Ca 0.53 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 2k5g s PRO 165 Cb -0.23 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2k5g s PRO 165 CO 0.29 -1.35 0.67 -1.25 0.04 0.00 0.00 177.00 175.40 2k5g s PRO 166 N -3.58 3.72 -1.21 0.56 0.04 -1.26 -4.98 135.00 128.28 2k5g s PRO 166 Ca 0.75 0.26 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 2k5g s PRO 166 Cb -0.28 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2k5g s PRO 166 CO 0.37 0.08 1.88 -2.30 0.04 0.00 0.00 177.00 177.07 2k5g n PRO 167 N -1.11 2.07 -0.21 0.56 -0.02 -1.26 -4.80 135.00 130.23 2k5g n PRO 167 Ca 0.01 -2.69 0.01 0.00 -2.02 0.00 0.00 63.50 58.81 2k5g n PRO 167 Cb 0.54 -3.64 0.10 0.00 -0.02 0.00 0.00 33.50 30.48 2k5g n PRO 167 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2k5g h PHE 168 N 9.00 -0.06 -0.05 6.00 3.57 -1.94 0.16 116.94 133.62 2k5g h PHE 168 Ca 0.29 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.71 2k5g h PHE 168 Cb 0.91 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2k5g h PHE 168 CO 1.28 -0.17 -0.57 2.35 -2.23 0.00 0.00 178.31 178.97 2k5g h TRP 169 N 0.11 0.20 0.01 0.41 7.01 -1.87 0.26 115.95 122.07 2k5g h TRP 169 Ca 0.32 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 2k5g h TRP 169 Cb 0.53 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2k5g h TRP 169 CO -0.38 0.69 -0.00 1.15 -2.79 0.00 0.00 178.44 177.11 2k5g h THR 170 N 0.12 1.38 -0.52 2.65 2.02 -1.48 0.51 112.91 117.60 2k5g h THR 170 Ca -0.00 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 2k5g h THR 170 Cb 1.03 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.60 2k5g h THR 170 CO 0.08 0.30 0.24 0.74 0.37 0.00 0.00 175.52 177.25 2k5g h THR 171 N -0.52 1.18 0.53 3.16 2.02 -0.70 0.25 112.91 118.83 2k5g h THR 171 Ca -0.00 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2k5g h THR 171 Cb 0.51 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2k5g h THR 171 CO 0.00 0.21 -0.49 0.25 0.37 0.00 0.00 175.52 175.86 2k5g h LEU 172 N 0.72 -1.32 -0.70 2.58 5.85 -0.35 -0.87 115.31 121.23 2k5g h LEU 172 Ca 0.18 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 2k5g h LEU 172 Cb 0.09 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2k5g h LEU 172 CO -0.02 -0.66 -0.14 0.00 -0.34 0.00 0.00 178.44 177.27 2k5g h ALA 173 N -0.98 0.89 -0.18 1.25 0.00 -0.63 -1.13 119.26 118.49 2k5g h ALA 173 Ca -0.07 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k5g h ALA 173 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k5g h ALA 173 CO -0.04 0.63 0.04 0.37 0.00 0.00 0.00 179.25 180.25 2k5g h GLN 174 N 0.76 0.10 -0.34 0.00 5.75 -0.45 0.39 115.11 121.32 2k5g h GLN 174 Ca 0.12 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.54 2k5g h GLN 174 Cb 0.66 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 2k5g h GLN 174 CO 0.05 0.07 -0.06 0.00 -2.65 0.00 0.00 178.83 176.24 2k5g h ALA 175 N 1.13 0.47 -0.39 3.38 0.00 -1.04 -0.08 119.26 122.71 2k5g h ALA 175 Ca 0.08 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k5g h ALA 175 Cb 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2k5g h ALA 175 CO -0.10 0.28 0.03 1.49 0.00 0.00 0.00 179.25 180.95 2k5g h GLU 176 N 0.43 0.14 -0.61 0.00 4.22 -0.93 -0.92 114.58 116.91 2k5g h GLU 176 Ca 0.09 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.42 2k5g h GLU 176 Cb 0.54 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2k5g h GLU 176 CO 0.03 0.09 -0.01 1.96 -2.18 0.00 0.00 179.01 178.90 2k5g h GLN 177 N 0.14 1.08 -0.19 1.92 1.08 -0.03 0.44 115.11 119.55 2k5g h GLN 177 Ca 0.19 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 57.01 2k5g h GLN 177 Cb 0.26 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2k5g h GLN 177 CO -0.29 1.06 -0.01 0.22 -0.95 0.00 0.00 178.83 178.85 2k5g h ASP 178 N 0.98 0.34 0.90 1.46 3.58 -0.64 -0.90 116.42 122.14 2k5g h ASP 178 Ca 0.17 -0.32 -0.15 0.00 0.42 0.00 0.00 57.03 57.15 2k5g h ASP 178 Cb 0.58 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2k5g h ASP 178 CO 0.03 0.58 -0.73 1.88 -2.88 0.00 0.00 179.24 178.12 2k5g h TYR 179 N 0.09 0.00 -0.19 0.28 -1.99 -1.15 0.05 116.97 114.06 2k5g h TYR 179 Ca 0.05 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.65 2k5g h TYR 179 Cb 0.41 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 2k5g h TYR 179 CO 0.04 0.73 -0.44 0.93 -0.00 0.00 0.00 178.16 179.42 2k5g h GLU 180 N 0.00 0.46 0.47 4.88 4.39 -0.86 -3.21 114.58 120.71 2k5g h GLU 180 Ca -0.01 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2k5g h GLU 180 Cb 1.38 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2k5g h GLU 180 CO 0.10 0.81 -0.22 0.37 -1.16 0.00 0.00 179.01 178.90 2k5g h GLN 181 N 0.37 -0.60 -6.14 2.33 -0.00 -0.97 -3.49 115.11 106.61 2k5g h GLN 181 Ca 0.03 0.04 -0.17 0.00 -0.00 0.00 0.00 58.65 58.55 2k5g h GLN 181 Cb 0.92 0.14 0.01 0.00 0.00 0.00 0.00 27.48 28.55 2k5g h GLN 181 CO 0.08 -0.40 -1.02 -2.13 0.00 0.00 0.00 178.83 175.36 2k5g n ARG 182 N -4.25 -1.67 0.00 1.69 0.00 -0.01 -4.89 116.66 107.53 2k5g n ARG 182 Ca -0.08 1.49 -0.06 0.00 -0.00 0.00 0.00 57.85 59.20 2k5g n ARG 182 Cb 0.25 -2.66 0.12 0.00 0.00 0.00 0.00 32.46 30.18 2k5g n ARG 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2k5g h LEU 183 N 2.66 0.56 -8.15 6.15 6.46 -1.92 -3.40 115.31 117.66 2k5g h LEU 183 Ca -0.24 -0.24 -0.67 0.00 -0.12 0.00 0.00 57.88 56.61 2k5g h LEU 183 Cb 1.06 -0.16 -0.17 0.00 -0.73 0.00 0.00 40.66 40.66 2k5g h LEU 183 CO 0.14 0.89 0.48 -0.76 -0.62 0.00 0.00 178.44 178.56 2k5g s LEU 184 N -8.52 4.89 -0.27 2.25 1.02 -1.26 -4.94 118.68 111.85 2k5g s LEU 184 Ca -0.07 -1.41 -0.20 0.00 0.02 0.00 0.00 54.13 52.47 2k5g s LEU 184 Cb 0.13 -2.37 0.07 0.00 0.02 0.00 0.00 46.19 44.04 2k5g s LEU 184 CO 0.82 -1.24 0.70 -0.70 0.02 0.00 0.00 176.35 175.95 2k5g s GLU 185 N 3.25 0.77 2.13 1.70 2.12 -1.26 -5.11 118.70 122.30 2k5g s GLU 185 Ca 0.21 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.65 2k5g s GLU 185 Cb -0.16 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.50 2k5g s GLU 185 CO 0.04 -0.13 0.00 0.72 -0.54 0.00 0.00 175.26 175.35 2k5g n HIS 186 N 3.53 -1.39 0.00 5.30 8.25 -1.26 -4.90 115.22 124.74 2k5g n HIS 186 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2k5g n HIS 186 Cb 0.57 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.88 2k5g n HIS 186 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5g n HIS 187 N -0.96 0.00 -3.55 4.41 -0.00 -1.26 -5.04 115.22 108.83 2k5g n HIS 187 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2k5g n HIS 187 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 2k5g n HIS 187 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5g s HIS 188 N -1.00 0.69 -0.09 1.57 5.65 -1.26 -5.12 115.29 115.72 2k5g s HIS 188 Ca 0.00 -1.29 0.02 0.00 0.25 0.00 0.00 55.06 54.04 2k5g s HIS 188 Cb 0.00 -1.05 -0.02 0.00 -1.18 0.00 0.00 32.58 30.34 2k5g s HIS 188 CO 0.00 -0.83 -0.15 -1.58 -0.65 0.00 0.00 174.74 171.53 2k5g s HIS 189 N 1.63 2.72 -0.05 3.88 5.04 -1.26 -5.12 115.29 122.14 2k5g s HIS 189 Ca 0.12 -0.45 0.06 0.00 -1.54 0.00 0.00 55.06 53.26 2k5g s HIS 189 Cb -0.19 -1.73 -0.01 0.00 0.04 0.00 0.00 32.58 30.69 2k5g s HIS 189 CO -0.22 -0.05 -0.24 -1.58 -2.34 0.00 0.00 174.74 170.31 2k5g s HIS 190 N -0.16 2.44 0.00 3.88 5.65 -1.26 -5.26 115.29 120.58 2k5g s HIS 190 Ca -0.01 -0.63 0.00 0.00 0.25 0.00 0.00 55.06 54.67 2k5g s HIS 190 Cb -0.13 -1.58 0.00 0.00 -1.18 0.00 0.00 32.58 29.68 2k5g s HIS 190 CO 0.03 -0.16 0.06 1.58 -0.65 0.00 0.00 174.74 175.60