#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5x s THR 2 N 0.00 2.87 0.36 3.17 -4.23 -1.26 -4.84 115.64 111.71 3k5x s THR 2 Ca 0.00 0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.86 3k5x s THR 2 Cb 0.00 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 71.00 3k5x s THR 2 CO 0.00 -0.37 1.90 0.28 -0.54 0.00 0.00 174.62 175.89 3k5x h SER 3 N -1.20 0.37 -0.34 3.99 0.02 -1.99 -0.59 113.55 113.82 3k5x h SER 3 Ca -0.48 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.31 3k5x h SER 3 Cb 1.28 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3k5x h SER 3 CO 0.59 0.48 -0.15 0.25 -1.14 0.00 0.00 176.83 176.86 3k5x h LEU 4 N 0.37 0.72 -0.73 5.07 5.85 -1.89 0.11 115.31 124.80 3k5x h LEU 4 Ca 0.08 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3k5x h LEU 4 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3k5x h LEU 4 CO 0.02 0.96 0.31 -0.33 -0.34 0.00 0.00 178.44 179.05 3k5x h GLU 5 N 0.48 1.09 -0.57 1.25 5.08 -1.81 -1.77 114.58 118.33 3k5x h GLU 5 Ca 0.08 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3k5x h GLU 5 Cb 0.68 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3k5x h GLU 5 CO 0.05 0.89 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.70 3k5x h LYS 6 N 1.05 1.03 -0.63 2.33 1.63 -0.95 -2.50 116.57 118.52 3k5x h LYS 6 Ca 0.25 -0.34 0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3k5x h LYS 6 Cb 0.19 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.69 3k5x h LYS 6 CO -0.02 1.03 0.36 0.00 -3.45 0.00 0.00 179.45 177.37 3k5x h ALA 7 N 0.96 0.83 -0.63 5.00 0.00 -0.35 -0.23 119.26 124.85 3k5x h ALA 7 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3k5x h ALA 7 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3k5x h ALA 7 CO 0.03 0.06 0.18 0.00 0.00 0.00 0.00 179.25 179.52 3k5x h ARG 8 N 0.69 0.97 -0.48 0.00 3.08 -1.13 -0.72 114.38 116.79 3k5x h ARG 8 Ca 0.27 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3k5x h ARG 8 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3k5x h ARG 8 CO -0.15 0.85 0.10 0.93 -1.07 0.00 0.00 179.97 180.63 3k5x h GLU 9 N 0.94 0.78 -0.71 0.04 5.08 -0.91 -1.89 114.58 117.91 3k5x h GLU 9 Ca 0.21 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3k5x h GLU 9 Cb 0.30 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3k5x h GLU 9 CO -0.00 0.77 0.21 -0.07 -1.00 0.00 0.00 179.01 178.92 3k5x h LEU 10 N 0.65 1.02 -1.25 1.33 3.38 -0.69 -2.59 115.31 117.17 3k5x h LEU 10 Ca 0.15 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3k5x h LEU 10 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k5x h LEU 10 CO 0.00 0.96 -0.26 -0.07 0.09 0.00 0.00 178.44 179.16 3k5x h LEU 11 N 1.05 0.00 -1.05 1.67 3.38 -0.94 -0.93 115.31 118.49 3k5x h LEU 11 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3k5x h LEU 11 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3k5x h LEU 11 CO -0.01 0.26 -0.46 0.03 0.09 0.00 0.00 178.44 178.36 3k5x h ARG 12 N 0.00 0.00 0.07 1.13 3.08 -0.94 -2.06 114.38 115.67 3k5x h ARG 12 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3k5x h ARG 12 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3k5x h ARG 12 CO 0.03 0.46 -1.23 0.93 -1.07 0.00 0.00 179.97 179.09 3k5x h GLU 13 N 0.00 0.15 -2.84 0.04 4.39 -1.38 -3.43 114.58 111.52 3k5x h GLU 13 Ca -0.00 -0.26 -0.60 0.00 0.34 0.00 0.00 59.36 58.83 3k5x h GLU 13 Cb 0.84 0.10 -0.40 0.00 -0.10 0.00 0.00 28.75 29.20 3k5x h GLU 13 CO 0.06 1.13 -0.78 -0.06 -1.16 0.00 0.00 179.01 178.20 3k5x s PHE 14 N -2.42 1.65 1.08 4.33 0.08 -0.39 -5.13 117.98 117.17 3k5x s PHE 14 Ca -0.22 -2.24 -0.14 0.00 0.12 0.00 0.00 56.93 54.44 3k5x s PHE 14 Cb 0.04 -1.59 0.23 0.00 -0.57 0.00 0.00 43.02 41.13 3k5x s PHE 14 CO 0.71 -0.79 1.09 -1.25 -0.10 0.00 0.00 175.22 174.88 3k5x s PRO 15 N 0.44 -0.23 0.13 0.24 0.04 -0.78 -4.37 135.00 130.48 3k5x s PRO 15 Ca 0.19 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 3k5x s PRO 15 Cb -0.21 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 3k5x s PRO 15 CO -0.02 -3.14 1.01 0.08 0.04 0.00 0.00 177.00 174.97 3k5x s VAL 16 N -2.92 4.30 -0.44 -0.36 1.01 0.08 -3.07 120.40 119.00 3k5x s VAL 16 Ca 0.67 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 64.48 3k5x s VAL 16 Cb -0.17 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.08 3k5x s VAL 16 CO 0.58 0.30 0.29 -0.69 0.00 0.00 0.00 175.10 175.57 3k5x s VAL 17 N -0.03 4.17 -0.04 2.92 1.01 0.27 -0.55 120.40 128.15 3k5x s VAL 17 Ca 0.48 -1.57 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 3k5x s VAL 17 Cb -0.25 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3k5x s VAL 17 CO 0.31 -0.61 0.70 -0.62 0.00 0.00 0.00 175.10 174.88 3k5x s ASP 18 N 2.30 7.03 0.12 3.32 2.15 -0.39 -4.35 116.67 126.86 3k5x s ASP 18 Ca 0.04 1.23 0.27 0.00 0.43 0.00 0.00 52.55 54.53 3k5x s ASP 18 Cb -0.24 -2.42 0.98 0.00 -0.30 0.00 0.00 42.92 40.95 3k5x s ASP 18 CO 0.01 -0.06 1.84 0.61 -0.17 0.00 0.00 175.17 177.39 3k5x n GLY 19 N 2.87 -1.62 3.15 2.66 0.00 0.18 -1.41 105.19 111.03 3k5x n GLY 19 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3k5x n GLY 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3k5x s HIS 20 N -3.06 -1.28 -0.08 1.61 5.65 -1.25 -4.67 115.29 112.21 3k5x s HIS 20 Ca 0.12 1.30 0.01 0.00 0.25 0.00 0.00 55.06 56.74 3k5x s HIS 20 Cb 0.15 0.43 0.02 0.00 -1.18 0.00 0.00 32.58 32.00 3k5x s HIS 20 CO 0.57 -0.70 -0.10 1.21 -0.65 0.00 0.00 174.74 175.07 3k5x s ASN 21 N 2.89 1.90 -0.32 9.88 3.84 -1.11 -1.13 114.94 130.89 3k5x s ASN 21 Ca 0.14 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 52.95 3k5x s ASN 21 Cb -0.13 -0.81 0.48 0.00 -0.55 0.00 0.00 41.25 40.24 3k5x s ASN 21 CO -0.18 -0.04 1.66 0.47 -2.79 0.00 0.00 177.10 176.21 3k5x n ASP 22 N 4.31 3.54 -0.32 -4.21 8.00 -0.00 -0.98 116.55 126.90 3k5x n ASP 22 Ca -0.19 -3.15 0.10 0.00 0.71 0.00 0.00 54.79 52.27 3k5x n ASP 22 Cb 0.51 -0.74 0.27 0.00 -0.02 0.00 0.00 41.12 41.14 3k5x n ASP 22 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3k5x h LEU 23 N 1.02 0.58 -0.37 0.64 5.85 -1.80 -1.57 115.31 119.66 3k5x h LEU 23 Ca 0.45 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.32 3k5x h LEU 23 Cb 2.34 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 43.34 3k5x h LEU 23 CO 0.79 0.20 0.15 -0.65 -0.34 0.00 0.00 178.44 178.59 3k5x h PRO 24 N 0.63 0.30 -0.74 5.25 0.11 -1.82 0.17 132.00 135.91 3k5x h PRO 24 Ca 0.52 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.57 3k5x h PRO 24 Cb 0.81 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 3k5x h PRO 24 CO -0.40 0.20 0.30 2.35 -0.21 0.00 0.00 178.00 180.24 3k5x h TRP 25 N 0.31 1.11 -0.84 0.65 2.91 -1.58 -0.19 115.95 118.33 3k5x h TRP 25 Ca 0.17 -0.08 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 3k5x h TRP 25 Cb 0.13 -0.34 -0.04 0.00 -0.51 0.00 0.00 29.16 28.40 3k5x h TRP 25 CO -0.13 0.84 0.40 0.00 -1.03 0.00 0.00 178.44 178.52 3k5x h ALA 26 N 1.25 1.12 -0.26 2.65 0.00 -0.67 0.05 119.26 123.39 3k5x h ALA 26 Ca 0.25 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3k5x h ALA 26 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3k5x h ALA 26 CO -0.02 0.66 -0.36 -0.07 0.00 0.00 0.00 179.25 179.46 3k5x h LEU 27 N 1.20 0.61 -0.15 0.00 3.38 -0.45 0.86 115.31 120.76 3k5x h LEU 27 Ca 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k5x h LEU 27 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3k5x h LEU 27 CO -0.04 0.92 0.05 -0.09 0.09 0.00 0.00 178.44 179.37 3k5x h ARG 28 N 0.49 0.23 -0.06 1.13 2.43 -0.38 -1.39 114.38 116.82 3k5x h ARG 28 Ca 0.05 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3k5x h ARG 28 Cb 0.85 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3k5x h ARG 28 CO 0.07 0.36 -0.80 0.93 -1.51 0.00 0.00 179.97 179.02 3k5x h GLU 29 N 0.06 0.65 -0.05 0.20 4.39 -0.92 -1.72 114.58 117.19 3k5x h GLU 29 Ca 0.05 -0.62 -0.08 0.00 0.34 0.00 0.00 59.36 59.05 3k5x h GLU 29 Cb 0.22 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3k5x h GLU 29 CO -0.00 1.23 -0.28 1.96 -1.16 0.00 0.00 179.01 180.76 3k5x h GLN 30 N 0.31 0.28 0.00 2.33 4.20 -0.89 -3.40 115.11 117.93 3k5x h GLN 30 Ca -0.08 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3k5x h GLN 30 Cb 1.46 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.29 3k5x h GLN 30 CO 0.16 0.89 -0.27 1.33 -0.67 0.00 0.00 178.83 180.27 3k5x n VAL 31 N -4.47 0.50 -4.04 -0.54 0.24 -0.85 -5.02 118.33 104.15 3k5x n VAL 31 Ca -0.09 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.34 61.36 3k5x n VAL 31 Cb 0.48 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.24 3k5x n VAL 31 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3k5x n ARG 32 N -0.36 -2.97 -1.36 7.34 0.63 -0.62 -1.32 116.66 118.00 3k5x n ARG 32 Ca 0.04 0.36 -0.12 0.00 -0.92 0.00 0.00 57.85 57.20 3k5x n ARG 32 Cb 0.62 -4.48 -0.05 0.00 0.45 0.00 0.00 32.46 29.00 3k5x n ARG 32 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3k5x n TYR 33 N -4.42 0.00 -2.63 -0.14 4.01 -0.63 -4.92 117.16 108.43 3k5x n TYR 33 Ca -0.26 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.05 3k5x n TYR 33 Cb 0.66 -2.30 -0.01 0.00 -0.31 0.00 0.00 39.34 37.38 3k5x n TYR 33 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k5x s ASP 34 N -2.84 6.76 0.55 7.72 -1.08 -0.43 -4.81 116.67 122.53 3k5x s ASP 34 Ca 0.00 -2.20 0.25 0.00 -0.52 0.00 0.00 52.55 50.08 3k5x s ASP 34 Cb 0.00 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.37 3k5x s ASP 34 CO 0.00 -1.22 2.05 -0.07 0.52 0.00 0.00 175.17 176.46 3k5x h LEU 35 N 12.24 0.00 -1.41 -1.34 3.38 -1.91 -0.90 115.31 125.37 3k5x h LEU 35 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 3k5x h LEU 35 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3k5x h LEU 35 CO 1.41 0.00 -0.24 0.44 0.09 0.00 0.00 178.44 180.15 3k5x h ASP 36 N 0.00 0.00 1.28 -0.43 3.32 -1.99 -0.66 116.42 117.94 3k5x h ASP 36 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3k5x h ASP 36 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3k5x h ASP 36 CO -0.00 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3k5x n ALA 37 N -2.30 2.12 -2.80 3.45 0.00 -0.34 -3.63 120.51 117.00 3k5x n ALA 37 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3k5x n ALA 37 Cb 0.37 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.41 3k5x n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k5x n ARG 38 N -2.26 1.68 -1.53 0.00 5.12 -0.91 -5.09 116.66 113.66 3k5x n ARG 38 Ca 0.05 -3.48 -0.51 0.00 -1.93 0.00 0.00 57.85 51.97 3k5x n ARG 38 Cb 0.38 -1.57 -0.07 0.00 -1.16 0.00 0.00 32.46 30.04 3k5x n ARG 38 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3k5x n ASP 39 N -0.53 2.43 0.00 0.55 -0.08 -0.30 -4.81 116.55 113.82 3k5x n ASP 39 Ca 0.08 0.61 0.09 0.00 -1.51 0.00 0.00 54.79 54.06 3k5x n ASP 39 Cb 0.80 -1.27 0.53 0.00 2.34 0.00 0.00 41.12 43.53 3k5x n ASP 39 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3k5x n ILE 40 N 6.45 0.00 1.31 5.18 -5.35 -1.26 -1.54 119.36 124.16 3k5x n ILE 40 Ca 0.35 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.97 3k5x n ILE 40 Cb 0.23 -0.50 0.51 0.00 -1.74 0.00 0.00 39.64 38.15 3k5x n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k5x n ALA 41 N -0.87 2.90 -2.65 -1.28 0.00 -1.26 -0.90 120.51 116.44 3k5x n ALA 41 Ca 0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 3k5x n ALA 41 Cb 0.06 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 3k5x n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k5x s ALA 42 N -2.53 3.40 -0.33 0.00 0.00 -0.59 -4.93 121.76 116.79 3k5x s ALA 42 Ca 0.26 -1.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 3k5x s ALA 42 Cb 0.20 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.45 3k5x s ALA 42 CO 0.50 -0.10 1.42 0.34 0.00 0.00 0.00 175.76 177.93 3k5x s ASP 43 N -3.75 6.46 -0.20 0.00 3.68 -1.26 -4.75 116.67 116.85 3k5x s ASP 43 Ca 0.28 1.13 0.16 0.00 2.13 0.00 0.00 52.55 56.25 3k5x s ASP 43 Cb 0.08 -2.54 0.57 0.00 -1.45 0.00 0.00 42.92 39.58 3k5x s ASP 43 CO 0.14 -1.27 1.47 0.00 0.13 0.00 0.00 175.17 175.64 3k5x n GLN 44 N 7.71 3.08 0.08 4.34 1.13 -1.26 -4.72 117.38 127.74 3k5x n GLN 44 Ca 0.16 -2.91 0.20 0.00 -1.94 0.00 0.00 57.00 52.52 3k5x n GLN 44 Cb 0.47 -1.90 0.75 0.00 0.11 0.00 0.00 30.24 29.67 3k5x n GLN 44 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3k5x h SER 45 N 1.99 0.00 1.61 1.08 0.02 -1.90 0.15 113.55 116.50 3k5x h SER 45 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3k5x h SER 45 Cb 1.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3k5x h SER 45 CO 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.97 3k5x h ALA 46 N 1.57 1.00 0.00 3.77 0.00 -2.02 -3.38 119.26 120.20 3k5x h ALA 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k5x h ALA 46 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3k5x h ALA 46 CO -0.00 0.00 -0.84 0.72 0.00 0.00 0.00 179.25 179.12 3k5x n HIS 47 N -2.92 0.00 -4.24 0.00 8.25 -0.33 -5.11 115.22 110.88 3k5x n HIS 47 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 3k5x n HIS 47 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 3k5x n HIS 47 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k5x s LEU 48 N -3.51 2.49 0.35 2.41 1.43 0.39 -5.01 118.68 117.23 3k5x s LEU 48 Ca 0.00 -1.03 0.24 0.00 -1.03 0.00 0.00 54.13 52.30 3k5x s LEU 48 Cb 0.00 -0.28 0.37 0.00 0.03 0.00 0.00 46.19 46.31 3k5x s LEU 48 CO 0.00 -0.38 1.55 0.45 0.23 0.00 0.00 176.35 178.20 3k5x h HIS 49 N 2.79 0.00 -4.55 0.29 3.86 -1.90 -3.37 115.15 112.27 3k5x h HIS 49 Ca -0.36 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.15 3k5x h HIS 49 Cb 1.19 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.36 3k5x h HIS 49 CO 0.63 0.00 -0.89 0.99 0.86 0.00 0.00 177.93 179.52 3k5x s THR 50 N -3.21 2.04 0.10 2.45 2.01 -1.26 -2.10 115.64 115.66 3k5x s THR 50 Ca 0.07 -1.10 -0.26 0.00 0.31 0.00 0.00 61.69 60.71 3k5x s THR 50 Cb 0.07 -1.70 0.08 0.00 0.01 0.00 0.00 72.50 70.96 3k5x s THR 50 CO 0.68 0.58 0.81 1.51 -0.69 0.00 0.00 174.62 177.50 3k5x s ASP 51 N -0.57 -0.37 0.20 3.53 1.47 -1.26 -4.80 116.67 114.87 3k5x s ASP 51 Ca 0.09 -0.14 -0.11 0.00 1.18 0.00 0.00 52.55 53.57 3k5x s ASP 51 Cb -0.10 0.49 0.19 0.00 -0.34 0.00 0.00 42.92 43.16 3k5x s ASP 51 CO -0.01 -0.84 1.81 -0.07 0.68 0.00 0.00 175.17 176.75 3k5x h LEU 52 N 2.00 0.52 -0.66 2.11 3.38 -1.31 -1.56 115.31 119.79 3k5x h LEU 52 Ca -0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3k5x h LEU 52 Cb 1.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3k5x h LEU 52 CO 0.31 0.35 0.29 0.00 0.09 0.00 0.00 178.44 179.48 3k5x h ALA 53 N 1.31 0.86 -0.03 1.53 0.00 -1.90 -1.94 119.26 119.09 3k5x h ALA 53 Ca 0.27 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3k5x h ALA 53 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k5x h ALA 53 CO -0.16 0.45 -0.58 0.00 0.00 0.00 0.00 179.25 178.96 3k5x h ARG 54 N 0.93 0.09 -0.66 0.00 3.08 -1.89 -1.25 114.38 114.67 3k5x h ARG 54 Ca 0.22 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 3k5x h ARG 54 Cb 0.17 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3k5x h ARG 54 CO -0.02 0.65 0.09 -0.07 -1.07 0.00 0.00 179.97 179.55 3k5x h LEU 55 N 0.07 1.07 -0.26 3.04 3.38 -0.98 0.46 115.31 122.10 3k5x h LEU 55 Ca -0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3k5x h LEU 55 Cb 1.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3k5x h LEU 55 CO 0.08 1.07 -0.11 -0.09 0.09 0.00 0.00 178.44 179.48 3k5x h ARG 56 N 1.03 0.53 -0.29 1.13 2.43 -1.13 -1.69 114.38 116.38 3k5x h ARG 56 Ca 0.20 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3k5x h ARG 56 Cb 0.46 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3k5x h ARG 56 CO 0.02 0.77 0.10 0.77 -1.51 0.00 0.00 179.97 180.12 3k5x h SER 57 N 0.27 0.37 0.99 -3.80 0.02 -1.06 -1.97 113.55 108.36 3k5x h SER 57 Ca 0.06 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3k5x h SER 57 Cb 0.60 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3k5x h SER 57 CO 0.03 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 3k5x n GLY 58 N -1.23 -1.46 2.02 -3.77 0.00 0.14 -4.84 105.19 96.05 3k5x n GLY 58 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3k5x n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5x n GLY 59 N 1.30 0.35 3.65 -0.02 0.00 -0.74 -4.13 105.19 105.60 3k5x n GLY 59 Ca 0.06 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3k5x n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5x s VAL 60 N -2.05 4.81 -0.43 1.61 1.01 -0.69 -0.74 120.40 123.92 3k5x s VAL 60 Ca 0.00 1.64 0.16 0.00 0.00 0.00 0.00 61.98 63.78 3k5x s VAL 60 Cb 0.00 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 3k5x s VAL 60 CO 0.00 -0.08 0.53 0.61 0.00 0.00 0.00 175.10 176.15 3k5x n GLY 61 N 3.67 -0.58 3.38 4.51 0.00 0.29 -4.73 105.19 111.74 3k5x n GLY 61 Ca 0.06 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 3k5x n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5x s ALA 62 N -2.74 -1.21 -0.04 4.61 0.00 -0.83 -1.50 121.76 120.05 3k5x s ALA 62 Ca 0.01 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3k5x s ALA 62 Cb 0.11 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3k5x s ALA 62 CO 0.65 -0.24 -0.01 -1.14 0.00 0.00 0.00 175.76 175.02 3k5x s GLN 63 N 0.04 0.49 -0.50 0.00 2.00 0.86 -1.27 119.66 121.27 3k5x s GLN 63 Ca -0.02 0.04 -0.22 0.00 -2.00 0.00 0.00 55.36 53.16 3k5x s GLN 63 Cb -0.03 -0.67 0.04 0.00 0.80 0.00 0.00 33.01 33.15 3k5x s GLN 63 CO 0.02 -0.16 0.80 0.71 -0.50 0.00 0.00 175.29 176.16 3k5x s TYR 64 N 1.20 2.93 -0.14 1.67 2.02 -0.50 -0.72 117.35 123.82 3k5x s TYR 64 Ca -0.07 -0.10 -0.27 0.00 -0.37 0.00 0.00 57.07 56.26 3k5x s TYR 64 Cb -0.13 -3.77 -0.01 0.00 -0.40 0.00 0.00 41.96 37.64 3k5x s TYR 64 CO -0.02 -1.14 0.90 -1.58 -1.57 0.00 0.00 175.55 172.15 3k5x s TRP 65 N 3.36 3.47 0.16 2.71 0.52 0.63 -2.75 118.94 127.04 3k5x s TRP 65 Ca 0.26 1.40 -0.30 0.00 0.02 0.00 0.00 56.10 57.48 3k5x s TRP 65 Cb -0.14 -3.08 -0.07 0.00 -1.15 0.00 0.00 33.47 29.02 3k5x s TRP 65 CO 0.18 -0.22 1.14 0.45 0.02 0.00 0.00 176.95 178.52 3k5x s SER 66 N 1.11 7.19 -0.37 2.95 0.15 -0.15 -1.49 113.70 123.08 3k5x s SER 66 Ca 0.43 2.11 0.06 0.00 0.70 0.00 0.00 55.95 59.25 3k5x s SER 66 Cb -0.17 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.04 3k5x s SER 66 CO 0.15 -0.30 1.53 1.33 1.20 0.00 0.00 173.24 177.15 3k5x n VAL 67 N 2.65 2.78 -1.55 4.45 0.24 -0.08 -4.45 118.33 122.37 3k5x n VAL 67 Ca 0.04 -3.06 -0.40 0.00 -2.04 0.00 0.00 64.34 58.88 3k5x n VAL 67 Cb 0.46 -0.65 0.02 0.00 -1.47 0.00 0.00 33.84 32.20 3k5x n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k5x n TYR 68 N -1.00 0.43 -3.89 6.34 9.36 -1.26 -4.58 117.16 122.55 3k5x n TYR 68 Ca 0.43 0.52 -0.10 0.00 3.32 0.00 0.00 57.90 62.06 3k5x n TYR 68 Cb 1.01 -2.11 -0.09 0.00 -0.63 0.00 0.00 39.34 37.51 3k5x n TYR 68 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3k5x s VAL 69 N -1.45 0.11 0.31 2.97 -7.23 -1.26 -4.80 120.40 109.05 3k5x s VAL 69 Ca 0.67 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 3k5x s VAL 69 Cb -0.51 -0.76 -0.10 0.00 0.56 0.00 0.00 36.38 35.56 3k5x s VAL 69 CO 0.54 -0.51 1.36 -0.13 -0.31 0.00 0.00 175.10 176.05 3k5x s ARG 70 N -2.24 4.31 0.00 4.82 0.52 -1.26 -4.92 118.95 120.18 3k5x s ARG 70 Ca -0.08 2.27 0.26 0.00 -0.52 0.00 0.00 55.73 57.66 3k5x s ARG 70 Cb -0.03 -3.07 0.66 0.00 0.52 0.00 0.00 34.95 33.02 3k5x s ARG 70 CO -0.03 -0.29 1.50 -1.13 0.02 0.00 0.00 175.30 175.38 3k5x n SER 71 N 1.20 0.94 -1.54 0.23 3.41 -1.26 -3.89 113.62 112.71 3k5x n SER 71 Ca 0.02 -0.77 0.09 0.00 -0.26 0.00 0.00 58.87 57.95 3k5x n SER 71 Cb 0.41 0.19 0.35 0.00 -0.26 0.00 0.00 64.21 64.90 3k5x n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3k5x n ASP 72 N -0.84 4.82 -4.15 4.04 5.75 -1.26 -4.92 116.55 120.00 3k5x n ASP 72 Ca 0.10 -2.59 -0.18 0.00 -0.01 0.00 0.00 54.79 52.11 3k5x n ASP 72 Cb 0.35 -0.58 -0.12 0.00 -1.03 0.00 0.00 41.12 39.73 3k5x n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3k5x s LEU 73 N -2.11 2.24 0.97 -2.12 1.43 -1.25 -5.15 118.68 112.69 3k5x s LEU 73 Ca 0.50 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3k5x s LEU 73 Cb 0.34 -0.48 0.17 0.00 0.03 0.00 0.00 46.19 46.25 3k5x s LEU 73 CO 0.21 -0.06 1.15 -2.16 0.23 0.00 0.00 176.35 175.71 3k5x s PRO 74 N -1.55 0.63 -1.01 1.29 0.04 -1.26 -4.31 135.00 128.83 3k5x s PRO 74 Ca -0.02 0.19 -0.04 0.00 0.04 0.00 0.00 61.00 61.17 3k5x s PRO 74 Cb -0.09 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3k5x s PRO 74 CO 0.02 -2.53 0.50 0.41 0.04 0.00 0.00 177.00 175.44 3k5x n GLY 75 N -2.03 -0.10 0.37 0.56 0.00 -1.26 -4.93 105.19 97.80 3k5x n GLY 75 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 3k5x n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5x h ALA 76 N 0.67 1.38 -0.21 4.61 0.00 -1.88 -1.43 119.26 122.41 3k5x h ALA 76 Ca -0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3k5x h ALA 76 Cb 1.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3k5x h ALA 76 CO 0.38 0.56 0.04 0.28 0.00 0.00 0.00 179.25 180.51 3k5x h VAL 77 N 1.19 1.21 -0.58 0.00 2.07 -1.82 0.16 116.25 118.49 3k5x h VAL 77 Ca 0.34 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3k5x h VAL 77 Cb -0.08 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3k5x h VAL 77 CO -0.09 0.22 0.38 0.74 0.02 0.00 0.00 177.57 178.84 3k5x h THR 78 N 0.15 1.14 -0.49 2.57 2.02 -1.88 -1.39 112.91 115.02 3k5x h THR 78 Ca 0.06 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3k5x h THR 78 Cb 0.29 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3k5x h THR 78 CO 0.00 0.14 0.11 0.00 0.37 0.00 0.00 175.52 176.15 3k5x h ALA 79 N 1.22 1.27 -0.54 6.16 0.00 -1.09 -1.76 119.26 124.53 3k5x h ALA 79 Ca 0.21 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3k5x h ALA 79 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3k5x h ALA 79 CO -0.05 0.51 -0.04 1.15 0.00 0.00 0.00 179.25 180.81 3k5x h THR 80 N 0.73 1.26 -0.25 0.00 2.02 -0.33 -0.91 112.91 115.43 3k5x h THR 80 Ca 0.16 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.11 3k5x h THR 80 Cb 0.28 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3k5x h THR 80 CO -0.00 0.41 -0.15 -0.07 0.37 0.00 0.00 175.52 176.08 3k5x h LEU 81 N 0.88 0.41 -0.64 2.58 3.38 -0.76 -0.37 115.31 120.79 3k5x h LEU 81 Ca 0.15 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3k5x h LEU 81 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3k5x h LEU 81 CO 0.03 0.59 -0.48 -0.33 0.09 0.00 0.00 178.44 178.35 3k5x h GLU 82 N 0.39 0.49 -0.41 1.13 5.08 -0.82 -0.43 114.58 120.01 3k5x h GLU 82 Ca 0.07 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3k5x h GLU 82 Cb 0.50 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3k5x h GLU 82 CO 0.03 0.86 -0.07 1.96 -1.00 0.00 0.00 179.01 180.79 3k5x h GLN 83 N 0.39 0.78 -0.69 2.33 1.08 -0.59 -1.07 115.11 117.34 3k5x h GLN 83 Ca 0.02 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 3k5x h GLN 83 Cb 0.98 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.33 3k5x h GLN 83 CO 0.09 0.89 0.29 0.82 -0.95 0.00 0.00 178.83 179.98 3k5x h ILE 84 N 0.60 1.24 -0.88 2.54 2.04 -0.93 -2.23 117.51 119.89 3k5x h ILE 84 Ca 0.11 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 3k5x h ILE 84 Cb 0.59 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3k5x h ILE 84 CO 0.04 0.29 0.55 -0.78 0.00 0.00 0.00 178.15 178.25 3k5x h ASP 85 N 0.97 1.04 -0.53 1.72 3.58 -0.85 -1.20 116.42 121.15 3k5x h ASP 85 Ca 0.23 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 3k5x h ASP 85 Cb 0.18 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3k5x h ASP 85 CO -0.02 0.79 0.32 0.00 -2.88 0.00 0.00 179.24 177.44 3k5x h VAL 87 N 0.72 1.20 -0.67 0.00 2.07 -0.90 -1.13 116.25 117.54 3k5x h VAL 87 Ca 0.19 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3k5x h VAL 87 Cb -0.00 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3k5x h VAL 87 CO -0.03 0.23 0.43 -0.09 0.02 0.00 0.00 177.57 178.13 3k5x h ARG 88 N 0.62 0.89 -0.77 1.57 9.65 -0.88 -1.39 114.38 124.07 3k5x h ARG 88 Ca 0.16 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.92 3k5x h ARG 88 Cb 0.18 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 3k5x h ARG 88 CO -0.01 0.61 0.27 0.00 2.80 0.00 0.00 179.97 183.63 3k5x h ARG 89 N 0.91 1.17 -0.56 0.20 3.08 -0.67 -0.87 114.38 117.63 3k5x h ARG 89 Ca 0.24 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3k5x h ARG 89 Cb -0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3k5x h ARG 89 CO -0.05 0.97 0.21 -0.07 -1.07 0.00 0.00 179.97 179.97 3k5x h LEU 90 N 1.13 0.78 -0.48 3.04 3.38 -0.77 -0.05 115.31 122.34 3k5x h LEU 90 Ca 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3k5x h LEU 90 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k5x h LEU 90 CO -0.01 0.75 0.19 0.40 0.09 0.00 0.00 178.44 179.85 3k5x h ILE 91 N 0.77 1.21 -0.24 1.22 2.04 -0.98 -2.23 117.51 119.30 3k5x h ILE 91 Ca 0.19 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 3k5x h ILE 91 Cb 0.22 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3k5x h ILE 91 CO -0.01 0.24 -0.13 0.44 0.00 0.00 0.00 178.15 178.68 3k5x h ASP 92 N 0.63 0.39 1.44 1.72 3.32 -0.88 -2.90 116.42 120.14 3k5x h ASP 92 Ca 0.16 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3k5x h ASP 92 Cb 0.19 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3k5x h ASP 92 CO -0.01 0.56 -0.24 0.03 -1.72 0.00 0.00 179.24 177.85 3k5x h ARG 93 N 0.38 0.00 -2.12 3.56 3.08 -0.75 -3.37 114.38 115.16 3k5x h ARG 93 Ca 0.07 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.59 3k5x h ARG 93 Cb 0.46 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.10 3k5x h ARG 93 CO 0.03 0.24 -0.90 0.72 -1.07 0.00 0.00 179.97 178.99 3k5x n HIS 94 N -3.22 2.28 0.30 3.04 8.25 -0.86 -4.91 115.22 120.10 3k5x n HIS 94 Ca 0.02 -3.87 0.16 0.00 -0.26 0.00 0.00 57.72 53.77 3k5x n HIS 94 Cb 0.56 -0.45 0.95 0.00 1.12 0.00 0.00 29.99 32.17 3k5x n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3k5x h PRO 95 N 2.98 0.00 0.00 -0.41 0.13 -1.73 0.60 132.00 133.57 3k5x h PRO 95 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 3k5x h PRO 95 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3k5x h PRO 95 CO 0.67 0.02 -0.37 0.78 -0.23 0.00 0.00 178.00 178.87 3k5x h GLY 96 N 0.18 0.00 0.00 1.56 0.00 -1.91 -3.36 103.07 99.55 3k5x h GLY 96 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3k5x h GLY 96 CO 0.00 0.00 -1.49 1.18 0.00 0.00 0.00 176.54 176.24 3k5x n GLU 97 N -3.36 1.87 -4.48 4.80 4.71 -0.83 -4.86 120.64 118.49 3k5x n GLU 97 Ca 0.01 -0.03 -0.29 0.00 -0.01 0.00 0.00 57.16 56.83 3k5x n GLU 97 Cb 0.58 -1.20 -0.13 0.00 -1.01 0.00 0.00 31.44 29.68 3k5x n GLU 97 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3k5x s LEU 98 N -4.24 2.42 -0.03 -4.62 1.43 0.14 -0.63 118.68 113.14 3k5x s LEU 98 Ca -0.04 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3k5x s LEU 98 Cb 0.03 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.94 3k5x s LEU 98 CO 0.33 0.20 0.02 -0.60 0.23 0.00 0.00 176.35 176.54 3k5x s ARG 99 N -1.88 0.16 0.34 1.70 3.52 -0.71 -4.46 118.95 117.62 3k5x s ARG 99 Ca 0.15 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.64 3k5x s ARG 99 Cb -0.10 -0.49 -0.11 0.00 -1.56 0.00 0.00 34.95 32.69 3k5x s ARG 99 CO 0.06 -0.21 1.47 0.00 -0.81 0.00 0.00 175.30 175.81 3k5x s ALA 100 N 1.43 3.59 -0.06 6.12 0.00 -1.26 -0.09 121.76 131.50 3k5x s ALA 100 Ca -0.04 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.42 3k5x s ALA 100 Cb -0.13 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.43 3k5x s ALA 100 CO -0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 175.76 174.74 3k5x s ALA 101 N -0.85 0.84 -0.10 0.00 0.00 -0.55 -4.72 121.76 116.39 3k5x s ALA 101 Ca 0.54 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.38 3k5x s ALA 101 Cb -0.45 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 3k5x s ALA 101 CO 0.57 -0.13 0.17 1.28 0.00 0.00 0.00 175.76 177.64 3k5x n LEU 102 N 4.34 0.09 -4.29 0.00 4.77 -1.26 -4.30 117.00 116.35 3k5x n LEU 102 Ca -0.20 -0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 55.46 3k5x n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3k5x n LEU 102 CO 0.20 0.02 -0.27 0.42 -1.33 0.00 0.00 177.39 176.44 3k5x s THR 103 N -2.11 0.52 0.27 -5.08 -4.23 -1.26 -5.02 115.64 98.74 3k5x s THR 103 Ca -0.01 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3k5x s THR 103 Cb 0.04 -2.53 0.14 0.00 1.34 0.00 0.00 72.50 71.49 3k5x s THR 103 CO 0.24 -0.09 1.80 0.00 -0.54 0.00 0.00 174.62 176.03 3k5x h ALA 104 N 2.46 1.17 -0.73 3.99 0.00 -1.88 -1.79 119.26 122.49 3k5x h ALA 104 Ca -0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3k5x h ALA 104 Cb 1.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3k5x h ALA 104 CO 0.60 0.56 0.33 0.00 0.00 0.00 0.00 179.25 180.74 3k5x h ALA 105 N 1.30 1.21 -0.50 0.00 0.00 -1.96 -1.87 119.26 117.45 3k5x h ALA 105 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3k5x h ALA 105 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3k5x h ALA 105 CO 0.01 0.59 0.10 -0.44 0.00 0.00 0.00 179.25 179.50 3k5x h ASP 106 N 1.04 0.73 -0.44 0.00 3.32 -1.75 -0.48 116.42 118.84 3k5x h ASP 106 Ca 0.25 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3k5x h ASP 106 Cb 0.13 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3k5x h ASP 106 CO -0.03 0.74 0.20 0.24 -1.72 0.00 0.00 179.24 178.67 3k5x h MET 107 N 0.75 0.64 -0.28 3.56 2.86 -0.69 -0.29 114.93 121.48 3k5x h MET 107 Ca 0.16 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 3k5x h MET 107 Cb 0.32 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3k5x h MET 107 CO 0.00 0.56 -0.30 0.93 1.06 0.00 0.00 176.91 179.17 3k5x h GLU 108 N 0.57 0.59 -0.69 1.72 4.39 -1.04 -1.59 114.58 118.53 3k5x h GLU 108 Ca 0.15 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3k5x h GLU 108 Cb 0.14 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3k5x h GLU 108 CO -0.02 0.83 0.25 0.00 -1.16 0.00 0.00 179.01 178.91 3k5x h ALA 109 N 1.16 0.90 -0.39 3.43 0.00 -0.77 -0.57 119.26 123.02 3k5x h ALA 109 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3k5x h ALA 109 Cb 0.78 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3k5x h ALA 109 CO 0.06 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.99 3k5x h ALA 110 N 1.11 0.50 -0.76 0.00 0.00 -0.78 -2.49 119.26 116.84 3k5x h ALA 110 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3k5x h ALA 110 Cb 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3k5x h ALA 110 CO -0.01 0.13 0.41 -0.09 0.00 0.00 0.00 179.25 179.69 3k5x h ARG 111 N 0.48 1.06 -0.17 0.00 2.43 -0.95 -0.60 114.38 116.64 3k5x h ARG 111 Ca 0.13 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3k5x h ARG 111 Cb 0.22 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3k5x h ARG 111 CO -0.01 0.78 -0.16 0.00 -1.51 0.00 0.00 179.97 179.07 3k5x h ALA 112 N 1.39 1.43 -0.22 2.80 0.00 -0.83 -2.74 119.26 121.08 3k5x h ALA 112 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k5x h ALA 112 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3k5x h ALA 112 CO -0.04 0.40 0.00 -0.85 0.00 0.00 0.00 179.25 178.76 3k5x n GLU 113 N -4.24 2.34 -1.95 0.00 0.28 -0.90 -4.97 120.64 111.20 3k5x n GLU 113 Ca -0.01 -1.99 -0.05 0.00 -0.16 0.00 0.00 57.16 54.95 3k5x n GLU 113 Cb 0.30 -1.48 -0.01 0.00 1.43 0.00 0.00 31.44 31.68 3k5x n GLU 113 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k5x n GLY 114 N 1.40 0.25 3.53 -1.84 0.00 -0.44 -5.05 105.19 103.05 3k5x n GLY 114 Ca 0.17 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 3k5x n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5x s ARG 115 N -3.97 1.94 -0.38 1.61 0.52 -0.36 -4.95 118.95 113.36 3k5x s ARG 115 Ca 0.00 -1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 53.73 3k5x s ARG 115 Cb 0.00 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 33.33 3k5x s ARG 115 CO 0.00 0.47 1.10 0.42 0.02 0.00 0.00 175.30 177.31 3k5x s ILE 116 N -1.38 4.39 0.09 1.52 1.01 0.20 -4.05 121.20 122.98 3k5x s ILE 116 Ca 0.21 1.54 -0.31 0.00 0.00 0.00 0.00 60.65 62.09 3k5x s ILE 116 Cb -0.10 -4.49 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 3k5x s ILE 116 CO 0.13 -0.69 1.72 0.00 0.00 0.00 0.00 174.94 176.10 3k5x s ALA 117 N 3.96 3.72 -0.31 9.38 0.00 -0.56 -1.74 121.76 136.21 3k5x s ALA 117 Ca 0.46 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 3k5x s ALA 117 Cb -0.10 -3.72 0.04 0.00 0.00 0.00 0.00 23.12 19.34 3k5x s ALA 117 CO 0.22 -1.14 0.04 -1.12 0.00 0.00 0.00 175.76 173.75 3k5x s SER 118 N 2.50 5.03 0.52 0.00 0.01 0.87 -0.10 113.70 122.53 3k5x s SER 118 Ca 0.76 -1.15 0.05 0.00 1.31 0.00 0.00 55.95 56.92 3k5x s SER 118 Cb -0.42 -1.78 0.02 0.00 0.21 0.00 0.00 66.02 64.05 3k5x s SER 118 CO 0.34 -0.27 0.32 -0.76 0.41 0.00 0.00 173.24 173.27 3k5x s LEU 119 N 1.33 2.71 0.02 2.44 1.02 0.11 -1.48 118.68 124.83 3k5x s LEU 119 Ca -0.03 -1.27 0.03 0.00 0.02 0.00 0.00 54.13 52.88 3k5x s LEU 119 Cb -0.19 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 3k5x s LEU 119 CO 0.00 -0.99 -0.10 -0.04 0.02 0.00 0.00 176.35 175.25 3k5x s MET 120 N -4.17 0.70 -0.04 1.70 -1.94 -1.26 -0.27 119.30 114.01 3k5x s MET 120 Ca 0.31 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 3k5x s MET 120 Cb -0.01 -0.64 0.03 0.00 2.01 0.00 0.00 34.83 36.22 3k5x s MET 120 CO 0.19 0.16 -0.01 0.20 -0.01 0.00 0.00 175.02 175.55 3k5x s GLY 121 N -0.76 0.32 0.23 -0.03 0.00 -0.56 -0.57 107.32 105.96 3k5x s GLY 121 Ca -0.00 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.56 3k5x s GLY 121 CO 0.00 0.65 0.79 0.00 0.00 0.00 0.00 173.10 174.55 3k5x s ALA 122 N 1.15 3.37 -0.68 3.20 0.00 0.22 -0.90 121.76 128.12 3k5x s ALA 122 Ca -0.08 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.21 3k5x s ALA 122 Cb -0.14 -2.95 0.17 0.00 0.00 0.00 0.00 23.12 20.20 3k5x s ALA 122 CO -0.02 0.28 0.48 -2.00 0.00 0.00 0.00 175.76 174.51 3k5x s GLU 123 N -1.75 2.53 0.00 0.00 2.12 -1.26 -0.95 118.70 119.39 3k5x s GLU 123 Ca 0.43 -2.99 0.00 0.00 0.36 0.00 0.00 54.97 52.76 3k5x s GLU 123 Cb -0.19 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.63 3k5x s GLU 123 CO 0.23 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 3k5x n GLY 124 N 2.63 3.84 0.22 -1.50 0.00 -0.12 -4.50 105.19 105.75 3k5x n GLY 124 Ca 0.14 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 45.28 3k5x n GLY 124 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k5x h GLY 125 N 0.00 0.00 2.00 -0.02 0.00 -0.69 -1.41 103.07 102.94 3k5x h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k5x h GLY 125 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 176.54 177.66 3k5x h HIS 126 N 0.00 0.00 0.00 5.60 2.07 -1.90 -1.64 115.15 119.28 3k5x h HIS 126 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k5x h HIS 126 Cb 0.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.04 3k5x h HIS 126 CO 0.00 0.00 0.00 0.43 -3.07 0.00 0.00 177.93 175.29 3k5x n SER 127 N -2.77 0.60 -0.68 3.10 7.64 -0.53 -2.35 113.62 118.62 3k5x n SER 127 Ca -0.01 0.69 0.08 0.00 1.01 0.00 0.00 58.87 60.64 3k5x n SER 127 Cb 0.12 -0.80 0.08 0.00 -1.01 0.00 0.00 64.21 62.60 3k5x n SER 127 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3k5x n ILE 128 N -2.20 0.03 -3.99 0.44 -5.35 -0.61 -4.51 119.36 103.17 3k5x n ILE 128 Ca 0.01 -0.52 -0.27 0.00 -0.27 0.00 0.00 62.75 61.71 3k5x n ILE 128 Cb 0.15 1.32 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 3k5x n ILE 128 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3k5x n ASP 129 N 0.95 -0.70 -2.18 7.28 2.03 -0.99 -0.82 116.55 122.12 3k5x n ASP 129 Ca 0.10 -1.01 -0.12 0.00 0.52 0.00 0.00 54.79 54.29 3k5x n ASP 129 Cb 0.42 -3.02 -0.02 0.00 -0.72 0.00 0.00 41.12 37.79 3k5x n ASP 129 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k5x n ASN 130 N -2.95 -3.64 -4.10 1.67 3.02 -1.26 -4.94 115.26 103.06 3k5x n ASN 130 Ca -0.26 0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.19 3k5x n ASN 130 Cb 0.66 -3.17 -0.16 0.00 -0.61 0.00 0.00 39.78 36.51 3k5x n ASN 130 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3k5x s SER 131 N -2.02 3.60 0.33 6.41 0.15 0.00 -4.56 113.70 117.61 3k5x s SER 131 Ca 0.00 -0.91 0.07 0.00 0.70 0.00 0.00 55.95 55.80 3k5x s SER 131 Cb 0.00 -1.51 0.58 0.00 -1.71 0.00 0.00 66.02 63.38 3k5x s SER 131 CO 0.00 -0.07 1.80 -0.07 1.20 0.00 0.00 173.24 176.10 3k5x h LEU 132 N 7.88 0.31 -1.06 3.45 3.38 -1.84 -1.81 115.31 125.61 3k5x h LEU 132 Ca -0.37 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 3k5x h LEU 132 Cb 1.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3k5x h LEU 132 CO 0.58 0.56 -0.12 0.00 0.09 0.00 0.00 178.44 179.54 3k5x h ALA 133 N 1.47 1.22 -0.27 1.53 0.00 -1.94 -1.00 119.26 120.28 3k5x h ALA 133 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3k5x h ALA 133 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3k5x h ALA 133 CO 0.04 0.51 -0.36 1.15 0.00 0.00 0.00 179.25 180.58 3k5x h THR 134 N 0.49 1.29 -0.46 0.00 2.02 -1.67 -0.30 112.91 114.28 3k5x h THR 134 Ca 0.09 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 3k5x h THR 134 Cb 0.50 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3k5x h THR 134 CO 0.03 0.48 0.28 0.25 0.37 0.00 0.00 175.52 176.93 3k5x h LEU 135 N 0.51 0.56 -1.20 2.58 5.85 -0.66 -0.65 115.31 122.29 3k5x h LEU 135 Ca 0.05 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3k5x h LEU 135 Cb 0.86 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3k5x h LEU 135 CO 0.07 0.45 -0.06 0.03 -0.34 0.00 0.00 178.44 178.60 3k5x h ARG 136 N 0.62 0.48 -0.55 1.25 3.08 -0.82 -1.92 114.38 116.53 3k5x h ARG 136 Ca 0.17 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3k5x h ARG 136 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3k5x h ARG 136 CO -0.03 0.55 -0.05 0.00 -1.07 0.00 0.00 179.97 179.37 3k5x h ALA 137 N 1.49 0.74 -0.81 0.04 0.00 -0.38 -0.82 119.26 119.52 3k5x h ALA 137 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3k5x h ALA 137 Cb 0.39 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3k5x h ALA 137 CO 0.02 0.61 0.35 -0.07 0.00 0.00 0.00 179.25 180.16 3k5x h LEU 138 N 0.88 1.09 -0.54 0.00 3.38 -0.70 -1.10 115.31 118.32 3k5x h LEU 138 Ca 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3k5x h LEU 138 Cb 0.61 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3k5x h LEU 138 CO 0.04 0.95 0.18 0.22 0.09 0.00 0.00 178.44 179.92 3k5x h TYR 139 N 1.17 0.87 -0.23 1.13 3.20 -1.08 -1.26 116.97 120.78 3k5x h TYR 139 Ca 0.27 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3k5x h TYR 139 Cb 0.17 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3k5x h TYR 139 CO 0.02 0.73 0.15 0.00 -1.64 0.00 0.00 178.16 177.42 3k5x h ALA 140 N 1.04 1.87 -0.00 1.82 0.00 -0.51 -0.48 119.26 123.00 3k5x h ALA 140 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k5x h ALA 140 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k5x h ALA 140 CO -0.01 0.12 -0.03 1.28 0.00 0.00 0.00 179.25 180.61 3k5x n LEU 141 N -4.50 0.07 0.00 0.00 4.77 -0.48 -4.91 117.00 111.95 3k5x n LEU 141 Ca 0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3k5x n LEU 141 Cb 0.09 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3k5x n LEU 141 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3k5x n GLY 142 N 1.37 1.00 3.70 -0.72 0.00 -0.19 -5.09 105.19 105.27 3k5x n GLY 142 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3k5x n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5x s VAL 143 N -2.00 3.35 -1.00 1.61 1.01 -0.53 -4.16 120.40 118.68 3k5x s VAL 143 Ca 0.00 0.88 0.08 0.00 0.00 0.00 0.00 61.98 62.94 3k5x s VAL 143 Cb 0.00 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.89 3k5x s VAL 143 CO 0.00 0.03 0.78 0.54 0.00 0.00 0.00 175.10 176.46 3k5x n ARG 144 N 4.68 0.29 -3.52 2.72 5.12 0.27 -4.36 116.66 121.86 3k5x n ARG 144 Ca 0.13 -1.04 -0.14 0.00 -1.93 0.00 0.00 57.85 54.87 3k5x n ARG 144 Cb 0.42 -1.16 -0.05 0.00 -1.16 0.00 0.00 32.46 30.52 3k5x n ARG 144 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 3k5x s TYR 145 N -0.70 -0.52 -0.08 -1.55 -0.85 -1.24 -0.64 117.35 111.78 3k5x s TYR 145 Ca 0.10 0.61 -0.03 0.00 -0.52 0.00 0.00 57.07 57.23 3k5x s TYR 145 Cb 0.07 0.42 0.04 0.00 0.38 0.00 0.00 41.96 42.87 3k5x s TYR 145 CO 0.10 -0.69 0.15 1.41 -1.52 0.00 0.00 175.55 175.00 3k5x s MET 146 N -2.48 0.04 0.05 -3.49 1.75 -0.74 -0.61 119.30 113.83 3k5x s MET 146 Ca -0.05 0.50 -0.31 0.00 -1.25 0.00 0.00 55.69 54.59 3k5x s MET 146 Cb -0.01 -0.26 -0.07 0.00 2.84 0.00 0.00 34.83 37.34 3k5x s MET 146 CO -0.02 -0.27 1.39 0.99 -0.65 0.00 0.00 175.02 176.46 3k5x s THR 147 N 2.00 3.55 0.45 10.11 2.01 -0.13 -1.98 115.64 131.66 3k5x s THR 147 Ca 0.00 1.04 0.12 0.00 0.31 0.00 0.00 61.69 63.16 3k5x s THR 147 Cb -0.12 -3.67 0.24 0.00 0.01 0.00 0.00 72.50 68.96 3k5x s THR 147 CO -0.06 0.04 2.06 -0.07 -0.69 0.00 0.00 174.62 175.91 3k5x h LEU 148 N 7.60 0.19 -8.34 4.42 3.38 -1.65 -0.20 115.31 120.71 3k5x h LEU 148 Ca -0.40 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.40 3k5x h LEU 148 Cb 1.19 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 3k5x h LEU 148 CO 0.88 0.20 -0.43 0.42 0.09 0.00 0.00 178.44 179.59 3k5x s THR 149 N -5.10 0.04 0.00 0.22 -4.23 -1.26 -1.01 115.64 104.30 3k5x s THR 149 Ca -0.06 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3k5x s THR 149 Cb 0.17 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3k5x s THR 149 CO 0.70 -0.17 0.00 1.57 -0.54 0.00 0.00 174.62 176.18 3k5x n HIS 150 N -0.25 0.00 0.46 3.99 -0.00 -1.26 -4.21 115.22 113.95 3k5x n HIS 150 Ca -0.03 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.28 3k5x n HIS 150 Cb 0.64 0.00 0.47 0.00 -0.12 0.00 0.00 29.99 30.97 3k5x n HIS 150 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 3k5x h ASN 151 N 0.00 0.00 -3.08 0.26 2.35 -1.95 -3.44 115.58 109.73 3k5x h ASN 151 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 3k5x h ASN 151 Cb 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.19 3k5x h ASN 151 CO 0.00 0.00 -0.81 -1.81 -1.65 0.00 0.00 177.43 173.16 3k5x s ASP 152 N -4.50 3.40 0.73 5.81 1.01 -1.26 -4.01 116.67 117.86 3k5x s ASP 152 Ca 0.06 -0.89 -0.14 0.00 0.71 0.00 0.00 52.55 52.29 3k5x s ASP 152 Cb 0.10 -0.25 0.04 0.00 1.01 0.00 0.00 42.92 43.82 3k5x s ASP 152 CO 0.48 0.10 1.15 0.20 0.21 0.00 0.00 175.17 177.31 3k5x s ASN 153 N -2.79 4.39 0.34 0.27 0.01 -1.26 -4.53 114.94 111.36 3k5x s ASN 153 Ca 0.22 2.15 0.00 0.00 -0.71 0.00 0.00 52.86 54.52 3k5x s ASN 153 Cb -0.07 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3k5x s ASN 153 CO 0.10 -2.12 0.04 -0.46 -1.51 0.00 0.00 177.10 173.15 3k5x n ASN 154 N -2.89 2.83 0.29 -1.22 0.23 -0.77 -4.95 115.26 108.77 3k5x n ASN 154 Ca 0.12 -2.44 0.16 0.00 -0.53 0.00 0.00 54.58 51.88 3k5x n ASN 154 Cb 0.51 0.20 0.90 0.00 -2.08 0.00 0.00 39.78 39.31 3k5x n ASN 154 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k5x h ALA 155 N 1.11 1.26 0.00 -2.53 0.00 -1.99 -3.25 119.26 113.86 3k5x h ALA 155 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k5x h ALA 155 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k5x h ALA 155 CO 0.45 0.06 0.00 -2.67 0.00 0.00 0.00 179.25 177.09 3k5x n TRP 156 N -3.52 0.00 -3.73 0.00 4.27 -1.26 -4.90 117.44 108.30 3k5x n TRP 156 Ca -0.02 -0.22 -0.13 0.00 -3.89 0.00 0.00 57.50 53.24 3k5x n TRP 156 Cb 0.16 -0.02 -0.09 0.00 -1.36 0.00 0.00 31.31 29.99 3k5x n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3k5x s ALA 157 N -0.43 -0.95 -0.10 -1.67 0.00 -1.23 -1.68 121.76 115.70 3k5x s ALA 157 Ca 0.00 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 3k5x s ALA 157 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3k5x s ALA 157 CO 0.00 -0.22 0.33 -0.51 0.00 0.00 0.00 175.76 175.35 3k5x s ASP 158 N -0.44 6.58 0.19 0.00 1.01 -0.51 -1.85 116.67 121.65 3k5x s ASP 158 Ca -0.06 0.68 -0.10 0.00 0.71 0.00 0.00 52.55 53.79 3k5x s ASP 158 Cb -0.03 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 41.63 3k5x s ASP 158 CO 0.02 0.21 0.51 -0.55 0.21 0.00 0.00 175.17 175.57 3k5x s SER 159 N -0.23 6.65 0.48 0.27 0.15 -1.26 -1.38 113.70 118.39 3k5x s SER 159 Ca 0.20 0.90 0.26 0.00 0.70 0.00 0.00 55.95 58.01 3k5x s SER 159 Cb -0.14 -2.22 1.18 0.00 -1.71 0.00 0.00 66.02 63.13 3k5x s SER 159 CO 0.08 0.00 1.94 0.00 1.20 0.00 0.00 173.24 176.46 3k5x h ALA 160 N 2.91 1.11 -0.80 5.45 0.00 -0.88 -3.03 119.26 124.02 3k5x h ALA 160 Ca -0.47 -0.15 -0.44 0.00 0.00 0.00 0.00 54.91 53.85 3k5x h ALA 160 Cb 1.18 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 3k5x h ALA 160 CO 0.69 0.21 0.41 0.25 0.00 0.00 0.00 179.25 180.80 3k5x n THR 161 N -3.45 3.04 -4.22 0.00 -2.24 -1.26 -4.84 114.28 101.32 3k5x n THR 161 Ca -0.01 -2.36 -0.14 0.00 -2.27 0.00 0.00 64.05 59.27 3k5x n THR 161 Cb 0.35 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.96 3k5x n THR 161 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k5x s ASP 162 N -1.81 0.52 0.67 3.42 -1.08 -1.14 -4.78 116.67 112.46 3k5x s ASP 162 Ca 0.54 -1.47 -0.11 0.00 -0.52 0.00 0.00 52.55 50.99 3k5x s ASP 162 Cb 0.46 0.43 -0.01 0.00 -1.46 0.00 0.00 42.92 42.34 3k5x s ASP 162 CO 0.06 -0.90 1.06 -1.61 0.52 0.00 0.00 175.17 174.29 3k5x s GLU 163 N -3.97 3.17 0.34 4.34 0.41 -1.26 -4.85 118.70 116.88 3k5x s GLU 163 Ca 0.39 0.72 -0.28 0.00 -0.41 0.00 0.00 54.97 55.39 3k5x s GLU 163 Cb 0.06 -2.03 -0.12 0.00 -1.78 0.00 0.00 34.13 30.25 3k5x s GLU 163 CO 0.16 -0.87 1.32 -2.30 -0.49 0.00 0.00 175.26 173.08 3k5x n PRO 164 N -2.94 2.18 0.00 0.39 -0.02 -1.26 -4.82 135.00 128.53 3k5x n PRO 164 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3k5x n PRO 164 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3k5x n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k5x n GLY 165 N 0.88 0.55 0.35 -1.23 0.00 -1.26 -4.91 105.19 99.57 3k5x n GLY 165 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3k5x n GLY 165 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k5x n VAL 166 N -0.22 0.00 -0.40 1.61 0.24 -1.26 -4.94 118.33 113.36 3k5x n VAL 166 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3k5x n VAL 166 Cb 0.00 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 3k5x n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k5x n GLY 167 N 1.31 0.76 0.00 7.63 0.00 -1.26 -4.73 105.19 108.90 3k5x n GLY 167 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3k5x n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5x n GLY 168 N -2.40 1.06 3.58 -0.02 0.00 -1.26 -4.68 105.19 101.47 3k5x n GLY 168 Ca 0.00 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 3k5x n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5x s LEU 169 N 0.00 3.16 0.00 0.99 1.43 -1.26 -1.42 118.68 121.58 3k5x s LEU 169 Ca 0.00 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3k5x s LEU 169 Cb 0.00 -1.69 0.16 0.00 0.03 0.00 0.00 46.19 44.70 3k5x s LEU 169 CO 0.00 0.36 1.04 -1.54 0.23 0.00 0.00 176.35 176.44 3k5x n SER 170 N 2.24 0.69 -0.27 2.29 3.41 -0.68 -4.81 113.62 116.50 3k5x n SER 170 Ca -0.18 -1.75 -0.04 0.00 -0.26 0.00 0.00 58.87 56.64 3k5x n SER 170 Cb 0.53 -0.74 0.07 0.00 -0.26 0.00 0.00 64.21 63.81 3k5x n SER 170 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k5x h ALA 171 N -1.17 0.95 -0.17 7.33 0.00 -1.90 -0.60 119.26 123.69 3k5x h ALA 171 Ca -0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3k5x h ALA 171 Cb 1.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3k5x h ALA 171 CO 0.30 0.32 -0.33 0.35 0.00 0.00 0.00 179.25 179.89 3k5x h PHE 172 N 0.97 0.40 -0.92 0.00 3.57 -1.91 -2.11 116.94 116.94 3k5x h PHE 172 Ca 0.28 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3k5x h PHE 172 Cb -0.07 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 3k5x h PHE 172 CO -0.03 0.65 0.57 0.78 -2.23 0.00 0.00 178.31 178.05 3k5x h GLY 173 N 1.09 1.33 1.66 2.40 0.00 -1.35 0.57 103.07 108.78 3k5x h GLY 173 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3k5x h GLY 173 CO 0.06 0.53 -0.35 3.21 0.00 0.00 0.00 176.54 179.99 3k5x h ARG 174 N 1.27 0.39 -0.56 4.80 3.08 -0.78 -2.28 114.38 120.29 3k5x h ARG 174 Ca 0.33 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 3k5x h ARG 174 Cb -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3k5x h ARG 174 CO -0.06 0.69 0.03 1.49 -1.07 0.00 0.00 179.97 181.05 3k5x h GLU 175 N 0.33 0.95 -0.39 0.04 4.57 -0.60 -0.64 114.58 118.84 3k5x h GLU 175 Ca 0.04 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 3k5x h GLU 175 Cb 0.77 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3k5x h GLU 175 CO 0.06 0.92 0.21 0.28 -1.18 0.00 0.00 179.01 179.30 3k5x h VAL 176 N 0.88 1.16 -0.69 0.32 2.07 -0.54 -0.42 116.25 119.03 3k5x h VAL 176 Ca 0.17 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3k5x h VAL 176 Cb 0.48 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3k5x h VAL 176 CO 0.02 0.16 0.41 0.58 0.02 0.00 0.00 177.57 178.76 3k5x h VAL 177 N 0.50 1.20 -0.78 2.57 2.07 -1.03 0.03 116.25 120.81 3k5x h VAL 177 Ca 0.14 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3k5x h VAL 177 Cb 0.08 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3k5x h VAL 177 CO -0.02 0.21 0.48 0.03 0.02 0.00 0.00 177.57 178.29 3k5x h ARG 178 N 0.94 1.05 -0.33 1.57 3.08 -0.70 -0.02 114.38 119.98 3k5x h ARG 178 Ca 0.25 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 3k5x h ARG 178 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3k5x h ARG 178 CO -0.04 0.74 -0.30 0.93 -1.07 0.00 0.00 179.97 180.22 3k5x h GLU 179 N 1.07 0.69 -0.71 0.04 4.39 -0.60 -0.93 114.58 118.52 3k5x h GLU 179 Ca 0.28 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3k5x h GLU 179 Cb -0.05 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3k5x h GLU 179 CO -0.05 0.91 0.19 0.52 -1.16 0.00 0.00 179.01 179.41 3k5x h MET 180 N 0.59 1.13 -0.53 2.33 2.86 -0.55 0.29 114.93 121.05 3k5x h MET 180 Ca 0.07 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3k5x h MET 180 Cb 0.80 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3k5x h MET 180 CO 0.07 0.98 0.31 -0.91 1.06 0.00 0.00 176.91 178.42 3k5x h ASN 181 N 1.08 0.64 -0.57 1.22 -0.26 -0.63 0.63 115.58 117.69 3k5x h ASN 181 Ca 0.23 -0.07 -0.11 0.00 -0.56 0.00 0.00 56.30 55.79 3k5x h ASN 181 Cb 0.35 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3k5x h ASN 181 CO -0.00 0.52 -0.07 -0.09 -1.06 0.00 0.00 177.43 176.73 3k5x h ARG 182 N 0.70 1.06 -0.12 0.81 2.43 -0.67 -3.11 114.38 115.48 3k5x h ARG 182 Ca 0.19 -0.37 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 3k5x h ARG 182 Cb 0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3k5x h ARG 182 CO -0.03 1.07 -0.55 0.93 -1.51 0.00 0.00 179.97 179.88 3k5x h GLU 183 N 0.95 0.37 0.00 0.20 4.39 -0.74 -3.41 114.58 116.34 3k5x h GLU 183 Ca 0.15 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3k5x h GLU 183 Cb 0.64 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3k5x h GLU 183 CO 0.04 0.82 0.00 0.41 -1.16 0.00 0.00 179.01 179.13 3k5x n GLY 184 N 0.19 1.23 3.70 -3.84 0.00 0.04 -4.94 105.19 101.57 3k5x n GLY 184 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3k5x n GLY 184 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k5x s MET 185 N -0.12 4.27 0.20 1.61 0.00 -0.19 -4.67 119.30 120.39 3k5x s MET 185 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 55.69 55.73 3k5x s MET 185 Cb 0.00 -3.48 -0.09 0.00 0.00 0.00 0.00 34.83 31.26 3k5x s MET 185 CO 0.00 0.07 1.34 -0.51 0.00 0.00 0.00 175.02 175.92 3k5x s LEU 186 N 0.93 4.41 -0.27 4.11 1.43 0.19 -4.37 118.68 125.11 3k5x s LEU 186 Ca 0.23 2.44 -0.27 0.00 -1.03 0.00 0.00 54.13 55.50 3k5x s LEU 186 Cb -0.15 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.47 3k5x s LEU 186 CO 0.09 -0.57 0.98 -0.69 0.23 0.00 0.00 176.35 176.39 3k5x s VAL 187 N 0.17 4.67 -0.24 -1.59 1.01 -1.26 -1.79 120.40 121.36 3k5x s VAL 187 Ca 0.58 1.73 -0.09 0.00 0.00 0.00 0.00 61.98 64.19 3k5x s VAL 187 Cb -0.37 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 3k5x s VAL 187 CO 0.38 -0.27 0.12 -0.62 0.00 0.00 0.00 175.10 174.72 3k5x s ASP 188 N 1.43 5.70 -0.06 3.32 2.15 -0.84 -0.92 116.67 127.45 3k5x s ASP 188 Ca 0.41 -0.02 0.19 0.00 0.43 0.00 0.00 52.55 53.56 3k5x s ASP 188 Cb -0.14 -2.03 0.64 0.00 -0.30 0.00 0.00 42.92 41.10 3k5x s ASP 188 CO 0.10 0.03 1.55 0.18 -0.17 0.00 0.00 175.17 176.86 3k5x n LEU 189 N 4.54 4.24 -4.75 -1.34 4.77 0.88 -1.97 117.00 123.38 3k5x n LEU 189 Ca -0.15 -2.25 -0.32 0.00 -0.03 0.00 0.00 56.01 53.25 3k5x n LEU 189 Cb 0.52 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 41.20 3k5x n LEU 189 CO 0.33 0.87 0.72 -0.44 -1.33 0.00 0.00 177.39 177.54 3k5x s SER 190 N -1.00 4.31 0.00 -1.43 0.01 -1.26 -3.22 113.70 111.12 3k5x s SER 190 Ca 0.47 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.72 3k5x s SER 190 Cb 0.28 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3k5x s SER 190 CO 0.26 -2.17 0.00 1.41 0.41 0.00 0.00 173.24 173.16 3k5x n HIS 191 N -3.32 0.00 -1.97 2.43 8.25 -1.26 -4.62 115.22 114.73 3k5x n HIS 191 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.25 3k5x n HIS 191 Cb 0.52 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3k5x n HIS 191 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3k5x s VAL 192 N -0.17 4.52 0.69 1.59 -7.23 -1.20 -0.46 120.40 118.14 3k5x s VAL 192 Ca 0.00 0.93 -0.14 0.00 -1.81 0.00 0.00 61.98 60.96 3k5x s VAL 192 Cb 0.00 -3.74 0.02 0.00 0.56 0.00 0.00 36.38 33.22 3k5x s VAL 192 CO 0.00 -0.96 1.11 0.00 -0.31 0.00 0.00 175.10 174.94 3k5x s ALA 193 N -2.98 2.40 0.39 1.32 0.00 -0.48 -3.88 121.76 118.53 3k5x s ALA 193 Ca 0.57 0.48 0.09 0.00 0.00 0.00 0.00 51.96 53.10 3k5x s ALA 193 Cb -0.11 -3.31 0.85 0.00 0.00 0.00 0.00 23.12 20.54 3k5x s ALA 193 CO 0.47 -1.42 1.95 0.00 0.00 0.00 0.00 175.76 176.77 3k5x h ALA 194 N -0.28 1.82 -0.54 0.00 0.00 -1.90 -0.02 119.26 118.34 3k5x h ALA 194 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3k5x h ALA 194 Cb 1.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3k5x h ALA 194 CO 0.53 0.04 0.26 1.79 0.00 0.00 0.00 179.25 181.87 3k5x h THR 195 N 0.63 1.20 -0.66 0.00 1.35 -1.91 -1.76 112.91 111.77 3k5x h THR 195 Ca 0.32 -0.58 -0.05 0.00 -0.55 0.00 0.00 66.41 65.55 3k5x h THR 195 Cb 0.41 0.58 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 3k5x h THR 195 CO -0.11 0.23 0.20 0.74 -0.25 0.00 0.00 175.52 176.33 3k5x h THR 196 N 0.73 1.25 -0.30 6.82 2.02 -1.34 -1.15 112.91 120.93 3k5x h THR 196 Ca 0.19 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.52 3k5x h THR 196 Cb 0.13 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3k5x h THR 196 CO -0.02 0.33 0.17 0.24 0.37 0.00 0.00 175.52 176.60 3k5x h MET 197 N 0.98 0.33 -0.54 6.66 0.00 -0.61 0.32 114.93 122.07 3k5x h MET 197 Ca 0.21 -0.02 -0.10 0.00 0.00 0.00 0.00 59.70 59.80 3k5x h MET 197 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 31.60 31.80 3k5x h MET 197 CO -0.01 0.22 -0.04 0.00 0.00 0.00 0.00 176.91 177.08 3k5x h ARG 198 N 0.34 0.97 -0.72 1.72 3.08 -1.04 -1.16 114.38 117.57 3k5x h ARG 198 Ca 0.12 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 3k5x h ARG 198 Cb 0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3k5x h ARG 198 CO -0.07 1.00 0.20 -0.44 -1.07 0.00 0.00 179.97 179.59 3k5x h ASP 199 N 0.85 1.08 -0.59 7.04 3.32 -0.98 -0.85 116.42 126.29 3k5x h ASP 199 Ca 0.15 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 3k5x h ASP 199 Cb 0.59 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3k5x h ASP 199 CO 0.04 1.02 -0.05 0.00 -1.72 0.00 0.00 179.24 178.53 3k5x h ALA 200 N 1.10 0.80 -0.08 3.45 0.00 -0.75 -1.80 119.26 121.98 3k5x h ALA 200 Ca 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3k5x h ALA 200 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3k5x h ALA 200 CO -0.00 0.68 -0.40 -0.07 0.00 0.00 0.00 179.25 179.46 3k5x h LEU 201 N 0.96 0.18 -0.44 0.00 3.38 -0.95 0.10 115.31 118.55 3k5x h LEU 201 Ca 0.16 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 3k5x h LEU 201 Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k5x h LEU 201 CO 0.04 0.57 -0.32 0.44 0.09 0.00 0.00 178.44 179.26 3k5x h ASP 202 N 0.15 1.01 0.18 -0.43 3.32 -0.88 -3.35 116.42 116.42 3k5x h ASP 202 Ca 0.01 -0.43 -0.29 0.00 0.02 0.00 0.00 57.03 56.34 3k5x h ASP 202 Cb 0.78 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.06 3k5x h ASP 202 CO 0.06 1.23 -1.38 0.74 -1.72 0.00 0.00 179.24 178.17 3k5x h THR 203 N 0.81 1.18 -3.27 0.35 2.02 -1.11 -3.47 112.91 109.42 3k5x h THR 203 Ca 0.08 -2.54 -0.53 0.00 0.77 0.00 0.00 66.41 64.20 3k5x h THR 203 Cb 0.91 2.93 0.06 0.00 -1.74 0.00 0.00 68.15 70.30 3k5x h THR 203 CO 0.08 0.77 0.82 -0.55 0.37 0.00 0.00 175.52 177.01 3k5x s SER 204 N -7.24 6.56 0.00 4.18 0.15 0.33 -4.90 113.70 112.79 3k5x s SER 204 Ca -0.15 2.74 0.21 0.00 0.70 0.00 0.00 55.95 59.45 3k5x s SER 204 Cb 0.04 -2.62 0.49 0.00 -1.71 0.00 0.00 66.02 62.22 3k5x s SER 204 CO 0.85 -0.78 1.42 0.35 1.20 0.00 0.00 173.24 176.28 3k5x n THR 205 N 2.58 0.77 -4.26 6.45 -2.24 -1.26 -4.94 114.28 111.38 3k5x n THR 205 Ca 0.08 -0.89 -0.18 0.00 -2.27 0.00 0.00 64.05 60.80 3k5x n THR 205 Cb 0.39 0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 3k5x n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5x s ALA 206 N -1.18 1.56 0.32 6.98 0.00 -1.26 -4.96 121.76 123.22 3k5x s ALA 206 Ca 0.40 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 3k5x s ALA 206 Cb 0.22 -0.06 -0.12 0.00 0.00 0.00 0.00 23.12 23.16 3k5x s ALA 206 CO 0.30 0.07 1.50 -2.30 0.00 0.00 0.00 175.76 175.32 3k5x n PRO 207 N 0.32 2.53 -3.53 0.00 -0.02 -1.24 -4.94 135.00 128.12 3k5x n PRO 207 Ca -0.14 0.89 -0.20 0.00 -2.02 0.00 0.00 63.50 62.03 3k5x n PRO 207 Cb 0.58 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 3k5x n PRO 207 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k5x s VAL 208 N -0.52 2.97 0.23 -1.45 -7.23 -1.26 -4.57 120.40 108.58 3k5x s VAL 208 Ca 0.60 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 3k5x s VAL 208 Cb -0.52 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 3k5x s VAL 208 CO 0.55 -0.05 0.08 0.27 -0.31 0.00 0.00 175.10 175.65 3k5x s ILE 209 N -2.40 0.52 -0.30 -0.62 -4.36 -0.10 -1.76 121.20 112.18 3k5x s ILE 209 Ca 0.47 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 3k5x s ILE 209 Cb -0.05 -2.52 0.09 0.00 1.25 0.00 0.00 42.46 41.23 3k5x s ILE 209 CO 0.28 -0.10 0.06 -0.36 0.24 0.00 0.00 174.94 175.07 3k5x s PHE 210 N -3.78 2.17 0.39 1.37 0.08 -0.78 -0.08 117.98 117.33 3k5x s PHE 210 Ca 0.35 -1.93 0.22 0.00 0.12 0.00 0.00 56.93 55.68 3k5x s PHE 210 Cb 0.07 -1.89 1.16 0.00 -0.57 0.00 0.00 43.02 41.79 3k5x s PHE 210 CO 0.11 -0.86 1.98 0.66 -0.10 0.00 0.00 175.22 177.02 3k5x h SER 211 N 7.98 0.00 -0.92 1.36 4.64 -1.87 0.12 113.55 124.87 3k5x h SER 211 Ca -0.12 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 3k5x h SER 211 Cb 1.03 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.96 3k5x h SER 211 CO 0.46 0.20 -0.45 -1.38 -0.87 0.00 0.00 176.83 174.79 3k5x s HIS 212 N -4.22 -1.51 -0.02 4.77 0.00 -1.23 -3.93 115.29 109.14 3k5x s HIS 212 Ca -0.03 -0.39 -0.10 0.00 -3.00 0.00 0.00 55.06 51.54 3k5x s HIS 212 Cb 0.14 0.29 0.01 0.00 -4.00 0.00 0.00 32.58 29.02 3k5x s HIS 212 CO 0.64 -1.16 0.23 -1.12 -1.00 0.00 0.00 174.74 172.33 3k5x s SER 213 N 1.05 -0.11 0.00 7.38 0.01 -0.80 -4.75 113.70 116.48 3k5x s SER 213 Ca 0.27 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.58 3k5x s SER 213 Cb 0.01 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 3k5x s SER 213 CO -0.06 -0.34 0.00 -1.20 0.41 0.00 0.00 173.24 172.05 3k5x n SER 214 N 1.68 1.20 -4.66 2.44 7.64 -1.26 -3.51 113.62 117.15 3k5x n SER 214 Ca -0.20 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.30 3k5x n SER 214 Cb 0.56 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 3k5x n SER 214 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3k5x s SER 215 N 0.52 6.38 0.28 6.43 0.15 -1.26 -0.10 113.70 126.09 3k5x s SER 215 Ca 0.00 0.44 0.11 0.00 0.70 0.00 0.00 55.95 57.20 3k5x s SER 215 Cb 0.00 -2.22 0.37 0.00 -1.71 0.00 0.00 66.02 62.46 3k5x s SER 215 CO 0.00 -0.08 1.62 -0.09 1.20 0.00 0.00 173.24 175.89 3k5x h ARG 216 N 7.51 0.00 -0.35 5.44 2.43 -1.31 -0.88 114.38 127.21 3k5x h ARG 216 Ca -0.35 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 3k5x h ARG 216 Cb 1.16 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3k5x h ARG 216 CO 0.70 0.61 -0.16 0.00 -1.51 0.00 0.00 179.97 179.61 3k5x h ALA 217 N 1.39 1.07 0.18 2.80 0.00 -1.94 -2.35 119.26 120.42 3k5x h ALA 217 Ca -0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 3k5x h ALA 217 Cb 1.08 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.76 3k5x h ALA 217 CO 0.08 0.57 -1.35 0.28 0.00 0.00 0.00 179.25 178.82 3k5x h VAL 218 N 0.57 1.30 -2.85 0.00 2.07 -1.89 -3.43 116.25 112.02 3k5x h VAL 218 Ca 0.10 -2.62 -0.45 0.00 0.82 0.00 0.00 66.70 64.54 3k5x h VAL 218 Cb 0.60 2.87 -0.40 0.00 -1.52 0.00 0.00 31.29 32.84 3k5x h VAL 218 CO 0.04 0.79 -0.74 0.00 0.02 0.00 0.00 177.57 177.68 3k5x s ASP 220 N 2.17 5.29 -0.12 0.00 2.15 -0.90 -4.05 116.67 121.21 3k5x s ASP 220 Ca 0.05 0.10 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 3k5x s ASP 220 Cb -0.16 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 3k5x s ASP 220 CO -0.19 -2.42 0.34 -2.28 -0.17 0.00 0.00 175.17 170.45 3k5x s HIS 221 N 9.09 -0.36 0.63 -5.34 2.46 -1.26 -5.05 115.29 115.45 3k5x s HIS 221 Ca 0.66 0.87 0.33 0.00 0.47 0.00 0.00 55.06 57.40 3k5x s HIS 221 Cb -0.11 0.12 1.87 0.00 -0.13 0.00 0.00 32.58 34.33 3k5x s HIS 221 CO 0.16 -0.19 2.14 -1.00 -2.47 0.00 0.00 174.74 173.39 3k5x h PRO 222 N 5.54 0.00 0.00 2.88 0.13 -1.90 -1.20 132.00 137.44 3k5x h PRO 222 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3k5x h PRO 222 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k5x h PRO 222 CO 0.30 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.61 3k5x n ARG 223 N -3.43 0.07 -3.01 0.86 5.12 -1.26 -4.81 116.66 110.20 3k5x n ARG 223 Ca -0.01 0.13 -0.21 0.00 -1.93 0.00 0.00 57.85 55.83 3k5x n ARG 223 Cb 0.26 -1.59 0.01 0.00 -1.16 0.00 0.00 32.46 29.98 3k5x n ARG 223 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3k5x s ASN 224 N -3.39 5.73 -0.14 0.55 0.01 -0.46 -4.39 114.94 112.85 3k5x s ASN 224 Ca 0.11 0.09 -0.15 0.00 -0.71 0.00 0.00 52.86 52.20 3k5x s ASN 224 Cb 0.15 -1.29 -0.05 0.00 0.41 0.00 0.00 41.25 40.47 3k5x s ASN 224 CO 0.47 -0.75 0.35 -0.63 -1.51 0.00 0.00 177.10 175.03 3k5x s ILE 225 N -2.51 5.27 0.53 0.60 1.01 0.86 -4.56 121.20 122.38 3k5x s ILE 225 Ca 0.50 0.68 -0.20 0.00 0.00 0.00 0.00 60.65 61.63 3k5x s ILE 225 Cb -0.10 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 3k5x s ILE 225 CO 0.36 0.37 1.11 -2.84 0.00 0.00 0.00 174.94 173.95 3k5x s PRO 226 N 0.48 3.48 0.29 2.79 0.02 -1.26 -1.25 135.00 139.55 3k5x s PRO 226 Ca 0.20 1.56 0.01 0.00 0.02 0.00 0.00 61.00 62.78 3k5x s PRO 226 Cb -0.14 -2.05 0.53 0.00 0.02 0.00 0.00 34.50 32.87 3k5x s PRO 226 CO 0.06 -0.73 1.88 -0.44 -0.33 0.00 0.00 177.00 177.44 3k5x h ASP 227 N 1.33 0.92 0.12 2.53 3.32 -1.98 -1.46 116.42 121.20 3k5x h ASP 227 Ca -0.50 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3k5x h ASP 227 Cb 1.25 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 3k5x h ASP 227 CO 0.58 0.56 -0.09 -2.24 -1.72 0.00 0.00 179.24 176.32 3k5x h ASP 228 N 1.03 0.00 0.21 6.45 2.03 -2.00 0.19 116.42 124.33 3k5x h ASP 228 Ca 0.43 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.45 3k5x h ASP 228 Cb 0.31 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.85 3k5x h ASP 228 CO -0.19 0.09 -1.25 0.58 -1.03 0.00 0.00 179.24 177.45 3k5x h VAL 229 N 0.00 1.35 -0.71 4.15 2.07 -1.67 -3.24 116.25 118.20 3k5x h VAL 229 Ca -0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 3k5x h VAL 229 Cb 0.18 3.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 3k5x h VAL 229 CO 0.01 0.77 0.46 -0.07 0.02 0.00 0.00 177.57 178.76 3k5x h LEU 230 N -0.00 0.83 -1.93 2.57 3.38 -0.67 -1.78 115.31 117.70 3k5x h LEU 230 Ca -0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3k5x h LEU 230 Cb 1.98 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 3k5x h LEU 230 CO 0.23 0.61 -0.10 -0.33 0.09 0.00 0.00 178.44 178.94 3k5x h GLU 231 N 0.97 0.00 0.00 1.13 5.08 -1.03 -2.09 114.58 118.64 3k5x h GLU 231 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3k5x h GLU 231 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3k5x h GLU 231 CO -0.05 0.10 -0.05 0.54 -1.00 0.00 0.00 179.01 178.55 3k5x n ARG 232 N -4.12 0.03 -0.18 2.33 1.74 -0.67 -4.04 116.66 111.75 3k5x n ARG 232 Ca -0.03 0.02 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3k5x n ARG 232 Cb 0.18 -1.53 0.15 0.00 -1.02 0.00 0.00 32.46 30.25 3k5x n ARG 232 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3k5x h LEU 233 N 0.00 0.88 -0.63 0.55 3.38 -1.37 -1.69 115.31 116.43 3k5x h LEU 233 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3k5x h LEU 233 Cb 0.52 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3k5x h LEU 233 CO 0.00 0.83 0.40 0.77 0.09 0.00 0.00 178.44 180.53 3k5x h SER 234 N 0.91 0.74 -0.38 -0.43 4.64 -1.76 0.97 113.55 118.24 3k5x h SER 234 Ca 0.20 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 3k5x h SER 234 Cb 0.28 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3k5x h SER 234 CO -0.01 0.56 -0.20 0.00 -0.87 0.00 0.00 176.83 176.31 3k5x h ALA 235 N 1.21 0.53 0.00 5.18 0.00 -1.77 -3.04 119.26 121.38 3k5x h ALA 235 Ca 0.23 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3k5x h ALA 235 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3k5x h ALA 235 CO -0.05 0.48 -0.56 -0.97 0.00 0.00 0.00 179.25 178.16 3k5x h ASN 236 N 0.59 0.00 0.00 0.00 -0.73 -0.94 -3.47 115.58 111.04 3k5x h ASN 236 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 3k5x h ASN 236 Cb 0.75 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.34 3k5x h ASN 236 CO 0.06 0.56 0.00 0.61 -0.37 0.00 0.00 177.43 178.29 3k5x n GLY 237 N 0.18 0.78 0.00 1.57 0.00 0.33 -3.73 105.19 104.32 3k5x n GLY 237 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k5x n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5x n GLY 238 N -2.12 -0.80 3.33 -0.02 0.00 -1.08 -4.83 105.19 99.68 3k5x n GLY 238 Ca 0.00 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 3k5x n GLY 238 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3k5x s MET 239 N -1.35 0.75 -0.26 1.61 0.23 -0.72 -4.47 119.30 115.10 3k5x s MET 239 Ca 0.00 0.05 -0.07 0.00 -1.03 0.00 0.00 55.69 54.63 3k5x s MET 239 Cb 0.00 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.63 3k5x s MET 239 CO 0.00 -0.21 0.07 0.00 -2.03 0.00 0.00 175.02 172.86 3k5x s ALA 240 N -1.07 3.12 -0.49 3.16 0.00 -0.21 -1.87 121.76 124.39 3k5x s ALA 240 Ca -0.11 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 3k5x s ALA 240 Cb -0.04 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 21.06 3k5x s ALA 240 CO 0.05 -0.62 0.52 -1.64 0.00 0.00 0.00 175.76 174.07 3k5x s MET 241 N 1.58 3.05 0.34 0.00 -1.94 0.43 -1.06 119.30 121.70 3k5x s MET 241 Ca 0.05 -1.13 -0.28 0.00 -1.71 0.00 0.00 55.69 52.62 3k5x s MET 241 Cb -0.16 -4.12 -0.12 0.00 2.01 0.00 0.00 34.83 32.44 3k5x s MET 241 CO 0.03 -1.14 1.32 1.55 -0.01 0.00 0.00 175.02 176.77 3k5x n VAL 242 N 5.42 1.93 -4.18 -6.03 3.14 -0.61 -1.90 118.33 116.10 3k5x n VAL 242 Ca -0.09 -0.48 -0.23 0.00 -2.96 0.00 0.00 64.34 60.57 3k5x n VAL 242 Cb 0.44 -1.62 -0.07 0.00 -1.06 0.00 0.00 33.84 31.54 3k5x n VAL 242 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3k5x s THR 243 N -1.03 3.15 -1.43 1.55 -1.32 -1.23 -0.33 115.64 115.00 3k5x s THR 243 Ca 0.56 -1.78 0.22 0.00 -1.21 0.00 0.00 61.69 59.48 3k5x s THR 243 Cb -0.56 -2.94 -0.14 0.00 -1.51 0.00 0.00 72.50 67.35 3k5x s THR 243 CO 0.62 -0.25 0.98 0.49 -2.21 0.00 0.00 174.62 174.25 3k5x n PHE 244 N -1.06 0.00 -1.35 9.09 3.72 -1.24 -4.80 117.46 121.83 3k5x n PHE 244 Ca -0.04 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.79 3k5x n PHE 244 Cb 0.61 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.05 3k5x n PHE 244 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3k5x n VAL 245 N -0.89 0.08 -0.23 -4.37 0.31 -1.26 -4.45 118.33 107.52 3k5x n VAL 245 Ca 0.06 -0.10 0.03 0.00 -0.01 0.00 0.00 64.34 64.32 3k5x n VAL 245 Cb 0.39 -0.96 0.15 0.00 -0.91 0.00 0.00 33.84 32.51 3k5x n VAL 245 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3k5x h PRO 246 N 10.10 0.32 0.00 5.55 0.11 -1.93 -0.04 132.00 146.12 3k5x h PRO 246 Ca -0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3k5x h PRO 246 Cb 1.38 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3k5x h PRO 246 CO 1.06 0.21 0.00 0.36 -0.21 0.00 0.00 178.00 179.42 3k5x n LYS 247 N -5.08 0.41 -0.02 1.05 2.85 -1.26 -1.48 118.16 114.62 3k5x n LYS 247 Ca 0.12 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.35 3k5x n LYS 247 Cb 0.37 -1.37 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 3k5x n LYS 247 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3k5x n PHE 248 N -0.87 0.00 -0.03 5.58 3.72 -0.12 -4.11 117.46 121.64 3k5x n PHE 248 Ca 0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3k5x n PHE 248 Cb 0.03 -0.21 -0.13 0.00 -0.94 0.00 0.00 39.48 38.23 3k5x n PHE 248 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3k5x n VAL 249 N -2.43 1.18 -3.63 -4.37 0.24 -0.67 -4.76 118.33 103.88 3k5x n VAL 249 Ca -0.08 -0.74 -0.37 0.00 -2.04 0.00 0.00 64.34 61.10 3k5x n VAL 249 Cb 0.62 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 32.29 3k5x n VAL 249 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3k5x s LEU 250 N -5.56 4.02 0.20 1.34 2.96 -0.55 -4.82 118.68 116.27 3k5x s LEU 250 Ca -0.06 0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 3k5x s LEU 250 Cb 0.08 -2.10 0.26 0.00 0.50 0.00 0.00 46.19 44.93 3k5x s LEU 250 CO 0.83 -0.01 1.72 -0.61 -1.32 0.00 0.00 176.35 176.97 3k5x h GLN 251 N 8.06 0.29 -0.48 1.98 5.75 -1.90 -0.20 115.11 128.60 3k5x h GLN 251 Ca -0.36 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.15 3k5x h GLN 251 Cb 1.18 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 3k5x h GLN 251 CO 0.59 0.19 0.32 0.00 -2.65 0.00 0.00 178.83 177.28 3k5x h ALA 252 N 1.43 1.78 -0.08 3.38 0.00 -1.94 -0.96 119.26 122.88 3k5x h ALA 252 Ca 0.29 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 3k5x h ALA 252 Cb 0.40 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3k5x h ALA 252 CO -0.35 0.17 -0.84 0.00 0.00 0.00 0.00 179.25 178.23 3k5x h ALA 253 N 1.72 0.37 -0.28 0.00 0.00 -1.36 -0.14 119.26 119.57 3k5x h ALA 253 Ca 0.19 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3k5x h ALA 253 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k5x h ALA 253 CO -0.05 0.73 0.13 0.28 0.00 0.00 0.00 179.25 180.34 3k5x h VAL 254 N 0.38 1.16 -0.55 0.00 2.07 -0.48 -0.88 116.25 117.96 3k5x h VAL 254 Ca -0.06 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3k5x h VAL 254 Cb 1.46 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3k5x h VAL 254 CO 0.16 0.17 0.10 0.44 0.02 0.00 0.00 177.57 178.45 3k5x h ASP 255 N 0.31 0.87 -0.26 0.57 3.32 -1.18 -1.93 116.42 118.13 3k5x h ASP 255 Ca 0.10 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3k5x h ASP 255 Cb 0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3k5x h ASP 255 CO -0.01 0.90 0.17 -0.25 -1.72 0.00 0.00 179.24 178.33 3k5x h TRP 256 N 0.80 0.32 -0.59 4.55 7.01 -0.84 -0.78 115.95 126.42 3k5x h TRP 256 Ca 0.17 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 3k5x h TRP 256 Cb 0.40 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 3k5x h TRP 256 CO 0.03 0.20 0.19 1.15 -2.79 0.00 0.00 178.44 177.23 3k5x h THR 257 N 0.35 1.22 -0.53 2.65 2.02 -1.06 0.17 112.91 117.74 3k5x h THR 257 Ca 0.09 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.45 3k5x h THR 257 Cb -0.04 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3k5x h THR 257 CO -0.02 0.29 0.07 0.00 0.37 0.00 0.00 175.52 176.23 3k5x h ALA 258 N 1.35 0.70 -0.14 6.16 0.00 -0.95 0.35 119.26 126.73 3k5x h ALA 258 Ca 0.20 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3k5x h ALA 258 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k5x h ALA 258 CO -0.01 0.45 -0.46 0.93 0.00 0.00 0.00 179.25 180.16 3k5x h GLU 259 N 0.76 0.34 -0.39 0.00 5.08 -0.67 -1.04 114.58 118.65 3k5x h GLU 259 Ca 0.16 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3k5x h GLU 259 Cb 0.43 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3k5x h GLU 259 CO 0.01 0.74 -0.06 0.00 -1.00 0.00 0.00 179.01 178.70 3k5x h ALA 260 N 1.24 0.54 -0.61 3.43 0.00 -0.34 -0.71 119.26 122.81 3k5x h ALA 260 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3k5x h ALA 260 Cb 0.92 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3k5x h ALA 260 CO 0.08 0.37 0.22 -0.44 0.00 0.00 0.00 179.25 179.48 3k5x h ASP 261 N 0.55 0.87 -0.75 0.00 3.32 -0.74 -1.37 116.42 118.30 3k5x h ASP 261 Ca 0.10 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3k5x h ASP 261 Cb 0.56 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3k5x h ASP 261 CO 0.03 0.82 0.31 0.44 -1.72 0.00 0.00 179.24 179.12 3k5x h ASP 262 N 0.87 1.03 -0.85 6.45 3.32 -1.03 -2.07 116.42 124.14 3k5x h ASP 262 Ca 0.20 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3k5x h ASP 262 Cb 0.24 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3k5x h ASP 262 CO -0.01 0.91 0.45 -1.13 -1.72 0.00 0.00 179.24 177.74 3k5x h ASN 263 N 1.08 1.08 -0.14 6.45 -1.24 -0.73 0.44 115.58 122.52 3k5x h ASN 263 Ca 0.25 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 3k5x h ASN 263 Cb 0.20 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 3k5x h ASN 263 CO -0.02 0.87 0.08 0.24 -1.29 0.00 0.00 177.43 177.31 3k5x h MET 264 N 1.20 0.20 -0.02 6.67 2.86 -0.81 -2.25 114.93 122.79 3k5x h MET 264 Ca 0.30 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3k5x h MET 264 Cb 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3k5x h MET 264 CO -0.05 0.22 -0.19 0.00 1.06 0.00 0.00 176.91 177.96 3k5x h ARG 265 N 0.13 0.02 0.00 1.72 3.08 -1.02 -1.18 114.38 117.13 3k5x h ARG 265 Ca 0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3k5x h ARG 265 Cb 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3k5x h ARG 265 CO -0.01 0.21 -0.08 0.00 -1.07 0.00 0.00 179.97 179.03 3k5x h ALA 266 N 1.79 1.21 -0.66 0.04 0.00 -0.32 -0.96 119.26 120.36 3k5x h ALA 266 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k5x h ALA 266 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k5x h ALA 266 CO 0.02 0.10 0.00 0.72 0.00 0.00 0.00 179.25 180.09 3k5x n HIS 267 N -3.48 1.24 -1.00 0.00 8.25 -0.53 -4.94 115.22 114.75 3k5x n HIS 267 Ca -0.02 -0.57 -0.00 0.00 -0.26 0.00 0.00 57.72 56.87 3k5x n HIS 267 Cb 0.21 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 3k5x n HIS 267 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k5x n GLY 268 N 1.27 0.43 3.62 -1.41 0.00 -0.37 -5.05 105.19 103.68 3k5x n GLY 268 Ca 0.25 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3k5x n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k5x s PHE 269 N -2.00 2.92 0.35 1.61 0.08 -0.69 -4.99 117.98 115.26 3k5x s PHE 269 Ca 0.00 -0.03 -0.27 0.00 0.12 0.00 0.00 56.93 56.75 3k5x s PHE 269 Cb 0.00 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.77 3k5x s PHE 269 CO 0.00 0.41 1.18 -1.58 -0.10 0.00 0.00 175.22 175.14 3k5x s HIS 270 N -1.09 3.21 -0.03 0.36 5.65 -1.26 -2.77 115.29 119.36 3k5x s HIS 270 Ca 0.19 1.56 0.22 0.00 0.25 0.00 0.00 55.06 57.29 3k5x s HIS 270 Cb -0.11 -3.44 1.22 0.00 -1.18 0.00 0.00 32.58 29.07 3k5x s HIS 270 CO 0.10 -1.24 1.66 1.12 -0.65 0.00 0.00 174.74 175.74 3k5x h HIS 271 N 3.16 0.00 -0.16 3.88 2.07 -1.91 0.18 115.15 122.37 3k5x h HIS 271 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 3k5x h HIS 271 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3k5x h HIS 271 CO 0.56 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.70 3k5x n LEU 272 N -2.32 2.99 -4.70 6.12 4.77 -1.26 -4.96 117.00 117.64 3k5x n LEU 272 Ca -0.01 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.34 3k5x n LEU 272 Cb 0.11 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3k5x n LEU 272 CO 0.10 0.57 1.43 -0.62 -1.33 0.00 0.00 177.39 177.54 3k5x s ASP 273 N -1.63 6.41 -0.14 -1.43 -1.08 0.05 -4.90 116.67 113.95 3k5x s ASP 273 Ca 0.29 2.79 0.16 0.00 -0.52 0.00 0.00 52.55 55.27 3k5x s ASP 273 Cb 0.19 -2.58 0.43 0.00 -1.46 0.00 0.00 42.92 39.50 3k5x s ASP 273 CO 0.28 -0.99 1.33 -1.54 0.52 0.00 0.00 175.17 174.77 3k5x n SER 274 N 4.98 3.37 -4.76 -0.34 3.41 -1.26 -4.69 113.62 114.33 3k5x n SER 274 Ca 0.17 -2.90 -0.31 0.00 -0.26 0.00 0.00 58.87 55.57 3k5x n SER 274 Cb 0.37 -0.47 0.09 0.00 -0.26 0.00 0.00 64.21 63.95 3k5x n SER 274 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k5x s SER 275 N -2.03 4.43 0.35 4.04 1.04 -1.26 -4.76 113.70 115.52 3k5x s SER 275 Ca 0.36 1.86 0.07 0.00 0.48 0.00 0.00 55.95 58.72 3k5x s SER 275 Cb 0.29 -2.53 0.75 0.00 0.10 0.00 0.00 66.02 64.64 3k5x s SER 275 CO 0.08 -2.08 1.90 -0.65 0.98 0.00 0.00 173.24 173.46 3k5x h PRO 276 N -1.11 0.74 -0.47 4.02 0.11 -1.99 0.01 132.00 133.31 3k5x h PRO 276 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3k5x h PRO 276 Cb 1.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3k5x h PRO 276 CO 0.51 0.49 0.01 0.93 -0.21 0.00 0.00 178.00 179.73 3k5x h GLU 277 N 0.76 0.83 -0.52 1.05 3.07 -1.99 -1.98 114.58 115.80 3k5x h GLU 277 Ca 0.40 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 3k5x h GLU 277 Cb 0.51 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3k5x h GLU 277 CO -0.17 0.87 -0.10 0.00 -1.40 0.00 0.00 179.01 178.21 3k5x h ALA 278 N 0.93 0.84 -0.13 3.43 0.00 -1.61 -2.71 119.26 120.00 3k5x h ALA 278 Ca 0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3k5x h ALA 278 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3k5x h ALA 278 CO 0.02 0.66 -0.13 0.52 0.00 0.00 0.00 179.25 180.32 3k5x h MET 279 N 0.86 0.20 -0.47 0.00 2.86 -0.85 -1.88 114.93 115.66 3k5x h MET 279 Ca 0.14 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3k5x h MET 279 Cb 0.65 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3k5x h MET 279 CO 0.04 0.34 0.10 -0.22 1.06 0.00 0.00 176.91 178.23 3k5x h LYS 280 N 0.19 0.76 -0.34 1.72 3.64 -1.05 -0.18 116.57 121.32 3k5x h LYS 280 Ca 0.04 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3k5x h LYS 280 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3k5x h LYS 280 CO 0.02 0.76 0.17 0.28 -2.27 0.00 0.00 179.45 178.41 3k5x h VAL 281 N 0.63 1.16 -0.62 2.00 2.07 -1.23 -1.93 116.25 118.33 3k5x h VAL 281 Ca 0.14 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3k5x h VAL 281 Cb 0.35 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3k5x h VAL 281 CO 0.01 0.17 0.04 -0.74 0.02 0.00 0.00 177.57 177.07 3k5x h HIS 282 N 0.42 1.14 -0.95 1.57 -0.00 -1.21 -2.25 115.15 113.87 3k5x h HIS 282 Ca 0.12 -0.18 0.02 0.00 -0.00 0.00 0.00 60.37 60.33 3k5x h HIS 282 Cb 0.11 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.16 3k5x h HIS 282 CO -0.02 0.98 0.63 0.00 -0.00 0.00 0.00 177.93 179.52 3k5x h ALA 283 N 1.06 1.35 -0.55 5.26 0.00 -0.82 -0.99 119.26 124.56 3k5x h ALA 283 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3k5x h ALA 283 Cb 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3k5x h ALA 283 CO 0.02 0.59 0.04 0.00 0.00 0.00 0.00 179.25 179.90 3k5x h ALA 284 N 1.42 1.02 -0.16 0.00 0.00 -0.98 -1.21 119.26 119.36 3k5x h ALA 284 Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k5x h ALA 284 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3k5x h ALA 284 CO -0.09 0.61 0.02 0.35 0.00 0.00 0.00 179.25 180.14 3k5x h PHE 285 N 0.86 0.28 0.00 0.00 3.57 -0.74 -2.67 116.94 118.25 3k5x h PHE 285 Ca 0.17 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3k5x h PHE 285 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 3k5x h PHE 285 CO 0.03 0.44 -0.15 1.49 -2.23 0.00 0.00 178.31 177.89 3k5x h GLU 286 N 0.04 0.00 -0.55 1.11 4.81 -1.05 0.13 114.58 119.07 3k5x h GLU 286 Ca 0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3k5x h GLU 286 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3k5x h GLU 286 CO 0.00 0.15 0.12 1.49 -0.73 0.00 0.00 179.01 180.05 3k5x h GLU 287 N 0.00 0.90 0.00 1.92 4.57 -0.89 -2.99 114.58 118.09 3k5x h GLU 287 Ca -0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3k5x h GLU 287 Cb 0.35 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3k5x h GLU 287 CO 0.02 0.85 -0.84 2.89 -1.18 0.00 0.00 179.01 180.75 3k5x n ARG 288 N -4.38 0.31 -3.51 1.92 1.85 -0.88 -4.67 116.66 107.31 3k5x n ARG 288 Ca 0.02 0.04 -0.29 0.00 -1.00 0.00 0.00 57.85 56.63 3k5x n ARG 288 Cb 0.25 -1.65 -0.13 0.00 -1.05 0.00 0.00 32.46 29.88 3k5x n ARG 288 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k5x s VAL 289 N -3.19 0.17 0.51 8.89 1.01 0.41 -5.11 120.40 123.07 3k5x s VAL 289 Ca 0.05 -1.47 -0.22 0.00 0.00 0.00 0.00 61.98 60.33 3k5x s VAL 289 Cb 0.14 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 3k5x s VAL 289 CO 0.76 -0.90 1.16 -2.65 0.00 0.00 0.00 175.10 173.47 3k5x n PRO 290 N 4.39 1.47 -2.11 2.72 -0.02 -1.14 -4.22 135.00 136.08 3k5x n PRO 290 Ca 0.06 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3k5x n PRO 290 Cb 0.38 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3k5x n PRO 290 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3k5x s ARG 291 N -2.51 4.25 0.56 -0.52 3.52 -1.26 -4.98 118.95 118.00 3k5x s ARG 291 Ca 0.68 2.10 -0.19 0.00 -0.13 0.00 0.00 55.73 58.20 3k5x s ARG 291 Cb -0.47 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.31 3k5x s ARG 291 CO 0.52 -0.63 1.15 -1.25 -0.81 0.00 0.00 175.30 174.28 3k5x s PRO 292 N 2.42 3.25 -0.14 5.12 0.04 -1.26 -5.03 135.00 139.41 3k5x s PRO 292 Ca 0.67 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 63.37 3k5x s PRO 292 Cb -0.35 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 3k5x s PRO 292 CO 0.29 -0.94 -0.13 0.08 0.04 0.00 0.00 177.00 176.33 3k5x s VAL 293 N -1.74 2.95 0.70 -0.36 1.01 -1.26 -4.85 120.40 116.85 3k5x s VAL 293 Ca 0.74 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 3k5x s VAL 293 Cb -0.25 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 33.94 3k5x s VAL 293 CO 0.29 0.52 1.01 0.00 0.00 0.00 0.00 175.10 176.92 3k5x s ALA 294 N 0.49 3.15 0.35 5.51 0.00 -1.26 -4.92 121.76 125.07 3k5x s ALA 294 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3k5x s ALA 294 Cb -0.16 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3k5x s ALA 294 CO 0.04 -1.26 0.22 0.95 0.00 0.00 0.00 175.76 175.71 3k5x s THR 295 N -3.24 0.18 0.32 0.00 -4.23 -1.26 -0.40 115.64 107.02 3k5x s THR 295 Ca 0.60 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 3k5x s THR 295 Cb -0.11 -2.45 0.24 0.00 1.34 0.00 0.00 72.50 71.52 3k5x s THR 295 CO 0.45 0.00 1.96 0.58 -0.54 0.00 0.00 174.62 177.07 3k5x h VAL 296 N 2.06 1.19 -0.70 2.29 2.07 -1.87 -1.52 116.25 119.76 3k5x h VAL 296 Ca -0.29 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 66.81 3k5x h VAL 296 Cb 1.25 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3k5x h VAL 296 CO 0.44 0.20 0.46 -1.28 0.02 0.00 0.00 177.57 177.41 3k5x h SER 297 N 0.89 0.77 -0.24 0.57 0.87 -1.96 -0.56 113.55 113.89 3k5x h SER 297 Ca 0.23 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3k5x h SER 297 Cb -0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3k5x h SER 297 CO -0.04 0.55 0.14 0.74 -0.53 0.00 0.00 176.83 177.69 3k5x h THR 298 N 0.91 1.02 -0.57 2.23 2.02 -1.67 -0.41 112.91 116.45 3k5x h THR 298 Ca 0.27 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.26 3k5x h THR 298 Cb -0.04 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3k5x h THR 298 CO -0.07 0.05 0.00 0.58 0.37 0.00 0.00 175.52 176.46 3k5x h VAL 299 N 0.29 1.26 -0.35 3.16 2.07 -1.31 -2.62 116.25 118.76 3k5x h VAL 299 Ca 0.10 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3k5x h VAL 299 Cb -0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3k5x h VAL 299 CO -0.05 0.40 0.16 0.00 0.02 0.00 0.00 177.57 178.11 3k5x h ALA 300 N 0.97 1.64 -0.96 1.67 0.00 -0.78 -1.53 119.26 120.26 3k5x h ALA 300 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k5x h ALA 300 Cb 0.54 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3k5x h ALA 300 CO 0.03 0.30 0.62 -0.44 0.00 0.00 0.00 179.25 179.75 3k5x h ASP 301 N 0.48 1.12 -0.24 0.00 3.32 -0.69 0.09 116.42 120.50 3k5x h ASP 301 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3k5x h ASP 301 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3k5x h ASP 301 CO -0.02 0.83 -0.05 0.45 -1.72 0.00 0.00 179.24 178.73 3k5x h HIS 302 N 1.31 0.51 -0.73 4.55 3.86 -1.22 -2.82 115.15 120.61 3k5x h HIS 302 Ca 0.35 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3k5x h HIS 302 Cb -0.12 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 3k5x h HIS 302 CO -0.00 0.68 0.36 -0.07 0.86 0.00 0.00 177.93 179.76 3k5x h LEU 303 N 0.20 0.94 -0.29 2.43 3.38 -1.01 0.53 115.31 121.48 3k5x h LEU 303 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k5x h LEU 303 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3k5x h LEU 303 CO 0.02 0.78 0.19 0.44 0.09 0.00 0.00 178.44 179.97 3k5x h ASP 304 N 1.04 0.34 -0.36 -0.43 3.32 -0.92 0.76 116.42 120.16 3k5x h ASP 304 Ca 0.26 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 3k5x h ASP 304 Cb 0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3k5x h ASP 304 CO -0.04 0.24 -0.27 -0.74 -1.72 0.00 0.00 179.24 176.72 3k5x h HIS 305 N 0.40 0.96 -0.56 4.55 2.76 -1.22 -2.32 115.15 119.72 3k5x h HIS 305 Ca 0.11 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 57.99 3k5x h HIS 305 Cb -0.04 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 3k5x h HIS 305 CO -0.06 1.04 0.27 0.52 -1.30 0.00 0.00 177.93 178.40 3k5x h MET 306 N 0.61 0.78 -0.53 5.26 2.86 -0.71 -1.32 114.93 121.88 3k5x h MET 306 Ca 0.07 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3k5x h MET 306 Cb 0.84 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3k5x h MET 306 CO 0.07 0.60 -0.07 -0.09 1.06 0.00 0.00 176.91 178.49 3k5x h ARG 307 N 0.78 0.98 -0.60 1.72 2.43 -0.69 0.24 114.38 119.23 3k5x h ARG 307 Ca 0.19 -0.35 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3k5x h ARG 307 Cb 0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3k5x h ARG 307 CO -0.03 1.02 0.20 1.49 -1.51 0.00 0.00 179.97 181.14 3k5x h GLU 308 N 0.85 0.93 0.04 0.20 4.81 -0.82 -0.88 114.58 119.69 3k5x h GLU 308 Ca 0.14 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 3k5x h GLU 308 Cb 0.62 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3k5x h GLU 308 CO 0.04 0.82 -1.01 0.28 -0.73 0.00 0.00 179.01 178.41 3k5x h VAL 309 N 0.85 1.16 0.05 0.32 2.07 -1.18 -3.40 116.25 116.12 3k5x h VAL 309 Ca 0.19 -2.29 -0.29 0.00 0.82 0.00 0.00 66.70 65.14 3k5x h VAL 309 Cb 0.27 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 3k5x h VAL 309 CO -0.01 0.51 -1.52 0.00 0.02 0.00 0.00 177.57 176.58 3k5x h ALA 310 N -0.23 0.48 0.00 1.67 0.00 -0.65 -3.39 119.26 117.14 3k5x h ALA 310 Ca -0.25 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.44 3k5x h ALA 310 Cb 1.38 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3k5x h ALA 310 CO -0.07 1.33 0.00 0.41 0.00 0.00 0.00 179.25 180.92 3k5x n GLY 311 N 1.59 2.43 0.31 0.00 0.00 -0.34 -4.39 105.19 104.80 3k5x n GLY 311 Ca -0.14 -1.65 0.17 0.00 0.00 0.00 0.00 46.02 44.40 3k5x n GLY 311 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3k5x h VAL 312 N 0.00 0.38 -0.00 1.61 3.04 -1.89 -1.08 116.25 118.32 3k5x h VAL 312 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3k5x h VAL 312 Cb 0.00 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 3k5x h VAL 312 CO 0.00 0.00 -0.00 0.47 -1.01 0.00 0.00 177.57 177.03 3k5x n ASP 313 N -3.64 0.15 -1.53 3.17 8.00 -1.26 -3.76 116.55 117.67 3k5x n ASP 313 Ca -0.02 -0.94 -0.06 0.00 0.71 0.00 0.00 54.79 54.47 3k5x n ASP 313 Cb 0.13 -0.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.29 3k5x n ASP 313 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3k5x n HIS 314 N -0.93 1.19 -4.26 1.24 8.25 -0.41 -4.86 115.22 115.45 3k5x n HIS 314 Ca 0.22 -1.73 -0.22 0.00 -0.26 0.00 0.00 57.72 55.74 3k5x n HIS 314 Cb 0.15 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 30.87 3k5x n HIS 314 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k5x s LEU 315 N -3.04 2.31 0.00 2.41 1.43 -1.25 -1.05 118.68 119.50 3k5x s LEU 315 Ca 0.41 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3k5x s LEU 315 Cb 0.38 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.84 3k5x s LEU 315 CO -0.04 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3k5x n GLY 316 N 1.02 2.82 2.94 -3.19 0.00 -0.22 -4.38 105.19 104.19 3k5x n GLY 316 Ca -0.19 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 3k5x n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k5x s ILE 317 N -2.60 0.68 -0.39 -0.61 1.01 -1.26 -1.57 121.20 116.47 3k5x s ILE 317 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3k5x s ILE 317 Cb 0.00 -0.66 0.15 0.00 0.01 0.00 0.00 42.46 41.96 3k5x s ILE 317 CO 0.00 0.24 0.27 -0.83 0.00 0.00 0.00 174.94 174.62 3k5x s GLY 318 N 0.65 1.09 0.48 6.18 0.00 0.55 -0.65 107.32 115.61 3k5x s GLY 318 Ca -0.10 -2.18 0.17 0.00 0.00 0.00 0.00 44.72 42.62 3k5x s GLY 318 CO 0.01 2.04 2.01 -1.33 0.00 0.00 0.00 173.10 175.83 3k5x h GLY 319 N 6.45 0.32 -0.81 0.20 0.00 -1.73 -3.33 103.07 104.16 3k5x h GLY 319 Ca 0.13 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 3k5x h GLY 319 CO 0.33 0.06 -0.19 1.34 0.00 0.00 0.00 176.54 178.08 3k5x n ASP 320 N -4.45 -3.53 -4.77 0.19 2.03 -0.28 -3.59 116.55 102.15 3k5x n ASP 320 Ca 0.08 0.10 -0.40 0.00 0.52 0.00 0.00 54.79 55.09 3k5x n ASP 320 Cb 0.39 -2.30 0.01 0.00 -0.72 0.00 0.00 41.12 38.50 3k5x n ASP 320 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3k5x s TYR 321 N -2.37 2.49 -0.27 -0.67 2.02 -1.24 -1.75 117.35 115.56 3k5x s TYR 321 Ca 0.00 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 3k5x s TYR 321 Cb 0.00 -3.94 0.00 0.00 -0.40 0.00 0.00 41.96 37.62 3k5x s TYR 321 CO 0.00 -2.93 0.00 -0.25 -1.57 0.00 0.00 175.55 170.80 3k5x n ASP 322 N -0.05 -5.22 -0.00 2.29 8.00 -1.26 -0.82 116.55 119.49 3k5x n ASP 322 Ca 0.04 0.06 0.02 0.00 0.71 0.00 0.00 54.79 55.62 3k5x n ASP 322 Cb 0.41 -2.94 -0.02 0.00 -0.02 0.00 0.00 41.12 38.55 3k5x n ASP 322 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k5x n GLY 323 N -0.14 0.55 2.98 0.44 0.00 -0.72 -4.45 105.19 103.86 3k5x n GLY 323 Ca -0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3k5x n GLY 323 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k5x s THR 324 N -1.46 0.28 0.21 2.61 -1.32 -1.20 -5.06 115.64 109.70 3k5x s THR 324 Ca 0.01 -0.67 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 3k5x s THR 324 Cb 0.03 -0.34 -0.09 0.00 -1.51 0.00 0.00 72.50 70.59 3k5x s THR 324 CO 0.15 -0.26 1.49 1.55 -2.21 0.00 0.00 174.62 175.34 3k5x h PRO 325 N 5.13 0.22 -6.43 7.08 0.13 -1.95 -3.47 132.00 132.72 3k5x h PRO 325 Ca -0.31 -0.18 -0.64 0.00 -0.87 0.00 0.00 66.00 63.99 3k5x h PRO 325 Cb 1.20 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 3k5x h PRO 325 CO 0.44 0.84 -0.69 -0.06 -0.23 0.00 0.00 178.00 178.30 3k5x s PHE 326 N -3.54 2.84 0.07 1.56 0.08 -1.26 -5.12 117.98 112.62 3k5x s PHE 326 Ca -0.03 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3k5x s PHE 326 Cb 0.11 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 3k5x s PHE 326 CO 0.81 0.47 -0.06 0.95 -0.10 0.00 0.00 175.22 177.29 3k5x s THR 327 N -1.39 0.57 0.55 0.64 -4.23 -1.26 -4.47 115.64 106.05 3k5x s THR 327 Ca 0.24 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 3k5x s THR 327 Cb -0.11 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 3k5x s THR 327 CO 0.16 -0.74 1.08 -2.84 -0.54 0.00 0.00 174.62 171.74 3k5x s PRO 328 N -3.14 3.42 0.32 3.99 0.02 -1.26 -4.71 135.00 133.64 3k5x s PRO 328 Ca 0.04 1.42 -0.29 0.00 0.02 0.00 0.00 61.00 62.19 3k5x s PRO 328 Cb 0.01 -2.03 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 3k5x s PRO 328 CO -0.04 -0.76 1.41 -0.51 -0.33 0.00 0.00 177.00 176.78 3k5x s ASP 329 N -2.16 6.59 0.00 2.53 1.01 0.47 -1.29 116.67 123.82 3k5x s ASP 329 Ca 0.68 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.75 3k5x s ASP 329 Cb -0.19 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.09 3k5x s ASP 329 CO 0.29 -0.70 0.00 0.61 0.21 0.00 0.00 175.17 175.58 3k5x n GLY 330 N 1.14 2.22 2.26 0.21 0.00 -1.26 -2.96 105.19 106.80 3k5x n GLY 330 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3k5x n GLY 330 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k5x n LEU 331 N 0.00 2.85 0.27 0.99 4.77 -0.41 -4.60 117.00 120.86 3k5x n LEU 331 Ca 0.00 -3.64 0.12 0.00 -0.03 0.00 0.00 56.01 52.47 3k5x n LEU 331 Cb 0.00 0.06 0.78 0.00 -2.33 0.00 0.00 43.42 41.93 3k5x n LEU 331 CO 0.00 1.41 1.11 1.23 -1.33 0.00 0.00 177.39 179.81 3k5x h GLY 332 N 2.19 0.00 -0.58 -0.72 0.00 -1.86 -3.38 103.07 98.72 3k5x h GLY 332 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3k5x h GLY 332 CO 0.38 0.00 0.07 2.09 0.00 0.00 0.00 176.54 179.07 3k5x n ASP 333 N -4.16 -1.01 0.00 0.19 5.68 -1.26 -4.90 116.55 111.09 3k5x n ASP 333 Ca -0.02 -1.85 0.02 0.00 -0.50 0.00 0.00 54.79 52.43 3k5x n ASP 333 Cb 0.12 1.72 0.09 0.00 -1.14 0.00 0.00 41.12 41.90 3k5x n ASP 333 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3k5x n VAL 334 N -0.28 1.23 1.44 2.12 0.24 -0.89 -1.71 118.33 120.49 3k5x n VAL 334 Ca -0.03 0.31 0.14 0.00 -2.04 0.00 0.00 64.34 62.72 3k5x n VAL 334 Cb 0.30 -1.25 0.53 0.00 -1.47 0.00 0.00 33.84 31.95 3k5x n VAL 334 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k5x n SER 335 N -1.35 1.04 0.05 -1.34 3.41 -1.22 -4.05 113.62 110.16 3k5x n SER 335 Ca 0.01 -1.10 0.13 0.00 -0.26 0.00 0.00 58.87 57.65 3k5x n SER 335 Cb 0.03 0.03 0.41 0.00 -0.26 0.00 0.00 64.21 64.42 3k5x n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k5x n GLY 336 N 1.23 -1.54 0.32 5.00 0.00 -0.70 -4.08 105.19 105.43 3k5x n GLY 336 Ca 0.16 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.25 3k5x n GLY 336 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k5x h TYR 337 N 0.00 0.70 -0.62 1.61 0.05 -1.75 0.40 116.97 117.37 3k5x h TYR 337 Ca 0.00 0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.95 3k5x h TYR 337 Cb 0.64 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 3k5x h TYR 337 CO 0.00 -0.16 0.42 -1.35 -1.05 0.00 0.00 178.16 176.03 3k5x h PRO 338 N 0.31 0.27 -0.54 4.88 0.11 -1.76 -0.20 132.00 135.07 3k5x h PRO 338 Ca 0.65 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.68 3k5x h PRO 338 Cb 1.38 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3k5x h PRO 338 CO -0.61 0.18 0.08 -0.91 -0.21 0.00 0.00 178.00 176.53 3k5x h ASN 339 N 0.28 0.81 -0.23 -2.05 2.35 -1.20 0.27 115.58 115.81 3k5x h ASN 339 Ca 0.30 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3k5x h ASN 339 Cb 0.78 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3k5x h ASN 339 CO -0.07 0.82 -0.20 0.25 -1.65 0.00 0.00 177.43 176.59 3k5x h LEU 340 N 0.81 0.56 -0.97 1.61 5.85 -1.12 -2.17 115.31 119.88 3k5x h LEU 340 Ca 0.17 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3k5x h LEU 340 Cb 0.37 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3k5x h LEU 340 CO 0.01 0.91 0.39 0.40 -0.34 0.00 0.00 178.44 179.81 3k5x h ILE 341 N 0.22 1.24 -0.63 4.05 1.08 -1.12 -1.43 117.51 120.92 3k5x h ILE 341 Ca 0.04 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.82 3k5x h ILE 341 Cb 0.74 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 3k5x h ILE 341 CO 0.05 0.29 0.29 0.00 -0.69 0.00 0.00 178.15 178.09 3k5x h ALA 342 N 1.31 0.82 -0.67 1.87 0.00 -0.85 -0.57 119.26 121.17 3k5x h ALA 342 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k5x h ALA 342 Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3k5x h ALA 342 CO -0.04 0.40 0.30 1.49 0.00 0.00 0.00 179.25 181.40 3k5x h GLU 343 N 0.88 0.97 -0.46 0.00 4.57 -0.90 -1.24 114.58 118.40 3k5x h GLU 343 Ca 0.22 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 3k5x h GLU 343 Cb 0.14 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3k5x h GLU 343 CO -0.02 0.79 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.49 3k5x h LEU 344 N 0.93 0.76 -0.68 1.64 3.38 -0.90 -1.60 115.31 118.83 3k5x h LEU 344 Ca 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3k5x h LEU 344 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3k5x h LEU 344 CO -0.03 0.84 0.34 -0.07 0.09 0.00 0.00 178.44 179.62 3k5x h LEU 345 N 0.72 0.88 -1.98 1.67 3.38 -0.66 -1.03 115.31 118.30 3k5x h LEU 345 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3k5x h LEU 345 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3k5x h LEU 345 CO 0.02 0.75 -0.08 0.44 0.09 0.00 0.00 178.44 179.66 3k5x h ASP 346 N 0.94 0.00 -0.16 -0.43 3.32 -0.62 -1.35 116.42 118.13 3k5x h ASP 346 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3k5x h ASP 346 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3k5x h ASP 346 CO -0.03 0.08 0.00 0.54 -1.72 0.00 0.00 179.24 178.11 3k5x n ARG 347 N -3.45 1.81 -0.21 3.56 1.74 -0.56 -4.93 116.66 114.62 3k5x n ARG 347 Ca -0.01 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 3k5x n ARG 347 Cb 0.23 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3k5x n ARG 347 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5x n GLY 348 N 1.17 0.76 3.76 -0.13 0.00 -0.51 -5.06 105.19 105.18 3k5x n GLY 348 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3k5x n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k5x s TRP 349 N -2.20 2.98 0.69 1.61 0.52 -0.50 -4.99 118.94 117.06 3k5x s TRP 349 Ca 0.00 1.21 -0.10 0.00 0.02 0.00 0.00 56.10 57.23 3k5x s TRP 349 Cb 0.00 -3.78 0.02 0.00 -1.15 0.00 0.00 33.47 28.56 3k5x s TRP 349 CO 0.00 -2.34 1.07 -1.54 0.02 0.00 0.00 176.95 174.15 3k5x s SER 350 N -0.06 5.37 0.26 2.95 1.04 -1.26 -4.58 113.70 117.43 3k5x s SER 350 Ca 0.54 1.00 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 3k5x s SER 350 Cb -0.41 -1.81 0.33 0.00 0.10 0.00 0.00 66.02 64.23 3k5x s SER 350 CO 0.50 -1.35 1.84 1.56 0.98 0.00 0.00 173.24 176.78 3k5x h GLN 351 N -0.60 1.01 -0.10 4.02 4.20 -1.99 -1.17 115.11 120.48 3k5x h GLN 351 Ca -0.45 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 57.94 3k5x h GLN 351 Cb 1.26 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3k5x h GLN 351 CO 0.63 0.81 -0.60 0.77 -0.67 0.00 0.00 178.83 179.77 3k5x h SER 352 N 0.99 0.39 -0.40 1.46 0.02 -1.99 -1.28 113.55 112.75 3k5x h SER 352 Ca 0.23 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3k5x h SER 352 Cb 0.17 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3k5x h SER 352 CO -0.02 0.90 0.24 0.44 -1.14 0.00 0.00 176.83 177.24 3k5x h ASP 353 N 0.25 0.48 0.15 3.07 3.32 -1.80 -2.35 116.42 119.54 3k5x h ASP 353 Ca -0.01 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3k5x h ASP 353 Cb 1.12 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3k5x h ASP 353 CO 0.10 0.40 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.59 3k5x h LEU 354 N 0.52 0.31 -1.14 1.55 3.38 -1.05 -1.92 115.31 116.95 3k5x h LEU 354 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3k5x h LEU 354 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3k5x h LEU 354 CO -0.03 0.65 -0.43 0.00 0.09 0.00 0.00 178.44 178.73 3k5x h ALA 355 N 1.37 1.27 -0.08 1.53 0.00 -0.97 -0.99 119.26 121.40 3k5x h ALA 355 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3k5x h ALA 355 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3k5x h ALA 355 CO 0.06 0.53 -0.26 0.87 0.00 0.00 0.00 179.25 180.45 3k5x h LYS 356 N 0.00 0.31 -0.56 0.00 1.57 -1.12 -0.15 116.57 116.62 3k5x h LYS 356 Ca -0.00 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3k5x h LYS 356 Cb 0.76 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 3k5x h LYS 356 CO 0.06 0.86 0.33 1.25 -0.57 0.00 0.00 179.45 181.37 3k5x h LEU 357 N -0.18 0.52 0.00 2.94 5.85 -1.11 -1.69 115.31 121.65 3k5x h LEU 357 Ca -0.01 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k5x h LEU 357 Cb 0.89 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3k5x h LEU 357 CO 0.06 0.36 -0.20 0.71 -0.34 0.00 0.00 178.44 179.02 3k5x h THR 358 N 0.64 1.42 0.00 1.05 1.35 -1.25 -3.37 112.91 112.75 3k5x h THR 358 Ca 0.23 -2.14 -0.04 0.00 -0.55 0.00 0.00 66.41 63.92 3k5x h THR 358 Cb 0.05 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3k5x h THR 358 CO -0.11 0.48 -0.68 1.87 -0.25 0.00 0.00 175.52 176.83 3k5x n TRP 359 N -4.60 0.00 -0.37 4.73 -0.00 -0.42 -0.57 117.44 116.21 3k5x n TRP 359 Ca -0.12 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.39 3k5x n TRP 359 Cb 0.45 -0.12 0.15 0.00 -0.00 0.00 0.00 31.31 31.80 3k5x n TRP 359 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3k5x h LYS 360 N -0.16 1.19 -0.37 5.87 1.57 -1.14 -2.83 116.57 120.70 3k5x h LYS 360 Ca -0.05 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3k5x h LYS 360 Cb 0.61 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3k5x h LYS 360 CO -0.03 0.78 0.08 -0.91 -0.57 0.00 0.00 179.45 178.81 3k5x h ASN 361 N 1.22 0.56 -0.74 0.86 2.35 -1.54 -1.79 115.58 116.50 3k5x h ASN 361 Ca 0.41 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3k5x h ASN 361 Cb 0.07 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3k5x h ASN 361 CO -0.15 0.65 0.47 0.00 -1.65 0.00 0.00 177.43 176.76 3k5x h ALA 362 N 0.93 0.94 -0.53 -0.83 0.00 -1.75 -0.80 119.26 117.22 3k5x h ALA 362 Ca 0.11 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3k5x h ALA 362 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k5x h ALA 362 CO 0.00 0.38 -0.13 0.28 0.00 0.00 0.00 179.25 179.78 3k5x h VAL 363 N 1.01 1.27 -0.41 0.00 2.07 -1.42 -2.17 116.25 116.60 3k5x h VAL 363 Ca 0.27 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3k5x h VAL 363 Cb -0.08 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3k5x h VAL 363 CO -0.05 0.45 0.22 -0.09 0.02 0.00 0.00 177.57 178.12 3k5x h ARG 364 N 0.89 0.57 -0.60 1.57 2.43 -0.95 -1.36 114.38 116.93 3k5x h ARG 364 Ca 0.13 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3k5x h ARG 364 Cb 0.71 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3k5x h ARG 364 CO 0.05 0.46 0.24 0.28 -1.51 0.00 0.00 179.97 179.50 3k5x h VAL 365 N 0.53 1.23 -0.43 0.20 2.07 -1.05 0.16 116.25 118.96 3k5x h VAL 365 Ca 0.14 -0.71 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3k5x h VAL 365 Cb 0.06 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3k5x h VAL 365 CO -0.02 0.28 -0.24 0.25 0.02 0.00 0.00 177.57 177.86 3k5x h LEU 366 N 0.83 0.89 -0.89 2.57 5.85 -1.27 -1.70 115.31 121.60 3k5x h LEU 366 Ca 0.20 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3k5x h LEU 366 Cb 0.20 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3k5x h LEU 366 CO -0.02 1.09 0.50 -0.78 -0.34 0.00 0.00 178.44 178.89 3k5x h ASP 367 N 0.75 1.09 -0.74 1.25 3.58 -0.93 -1.83 116.42 119.59 3k5x h ASP 367 Ca 0.10 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 3k5x h ASP 367 Cb 0.78 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 3k5x h ASP 367 CO 0.06 0.86 0.31 0.00 -2.88 0.00 0.00 179.24 177.60 3k5x h ALA 368 N 1.27 0.96 -0.84 -0.78 0.00 -0.60 -0.39 119.26 118.89 3k5x h ALA 368 Ca 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k5x h ALA 368 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3k5x h ALA 368 CO -0.05 0.57 0.45 0.00 0.00 0.00 0.00 179.25 180.21 3k5x h ALA 369 N 1.15 1.22 -0.62 0.00 0.00 -0.80 -0.12 119.26 120.09 3k5x h ALA 369 Ca 0.25 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3k5x h ALA 369 Cb 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3k5x h ALA 369 CO -0.02 0.63 0.07 0.93 0.00 0.00 0.00 179.25 180.85 3k5x h GLU 370 N 1.17 1.05 -0.25 0.00 5.08 -0.75 -0.86 114.58 120.02 3k5x h GLU 370 Ca 0.29 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3k5x h GLU 370 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3k5x h GLU 370 CO -0.05 0.99 0.05 0.22 -1.00 0.00 0.00 179.01 179.23 3k5x h ASP 371 N 0.96 0.39 -0.79 1.42 3.58 -0.49 -0.81 116.42 120.68 3k5x h ASP 371 Ca 0.18 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 3k5x h ASP 371 Cb 0.48 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 3k5x h ASP 371 CO 0.02 0.53 0.32 0.58 -2.88 0.00 0.00 179.24 177.80 3k5x h VAL 372 N 0.23 1.26 -0.77 2.25 2.07 -0.94 -2.65 116.25 117.71 3k5x h VAL 372 Ca 0.08 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3k5x h VAL 372 Cb 0.30 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3k5x h VAL 372 CO 0.00 0.33 0.42 -1.28 0.02 0.00 0.00 177.57 177.06 3k5x h SER 373 N 1.14 0.96 -0.68 0.57 0.87 -0.89 -1.72 113.55 113.80 3k5x h SER 373 Ca 0.26 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3k5x h SER 373 Cb 0.21 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 3k5x h SER 373 CO -0.02 0.79 0.39 0.03 -0.53 0.00 0.00 176.83 177.48 3k5x h ARG 374 N 1.07 0.70 -0.28 2.24 3.08 -0.80 0.11 114.38 120.49 3k5x h ARG 374 Ca 0.27 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3k5x h ARG 374 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3k5x h ARG 374 CO -0.04 0.46 -0.03 0.78 -1.07 0.00 0.00 179.97 180.07 3k5x h GLY 375 N 0.72 0.56 1.42 0.04 0.00 -1.26 -2.72 103.07 101.82 3k5x h GLY 375 Ca 0.30 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 3k5x h GLY 375 CO -0.18 0.40 -0.41 1.41 0.00 0.00 0.00 176.54 177.76 3k5x h LEU 376 N 0.29 0.68 -1.28 3.11 3.38 -1.01 -1.89 115.31 118.59 3k5x h LEU 376 Ca 0.08 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3k5x h LEU 376 Cb 0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3k5x h LEU 376 CO 0.02 1.01 -0.35 0.03 0.09 0.00 0.00 178.44 179.23 3k5x h ARG 377 N 0.52 0.00 0.00 1.13 3.08 -0.80 -1.98 114.38 116.34 3k5x h ARG 377 Ca 0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3k5x h ARG 377 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3k5x h ARG 377 CO 0.08 0.35 -0.63 0.00 -1.07 0.00 0.00 179.97 178.71 3k5x h ALA 378 N 1.65 0.69 0.03 0.04 0.00 -1.32 -3.35 119.26 116.99 3k5x h ALA 378 Ca -0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 3k5x h ALA 378 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3k5x h ALA 378 CO 0.05 0.58 -1.33 0.00 0.00 0.00 0.00 179.25 178.55 3k5x h ALA 379 N 1.56 0.46 -2.90 0.00 0.00 -0.90 -3.49 119.26 114.00 3k5x h ALA 379 Ca -0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 3k5x h ALA 379 Cb 1.36 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 3k5x h ALA 379 CO 0.05 1.33 0.02 -0.98 0.00 0.00 0.00 179.25 179.68 3k5x s ARG 380 N -2.66 1.64 0.70 0.00 1.70 -0.78 -5.09 118.95 114.45 3k5x s ARG 380 Ca -0.03 -1.14 -0.02 0.00 -0.47 0.00 0.00 55.73 54.07 3k5x s ARG 380 Cb 0.09 0.53 0.10 0.00 -0.57 0.00 0.00 34.95 35.10 3k5x s ARG 380 CO 0.83 -0.71 0.97 0.20 -1.08 0.00 0.00 175.30 175.51 3k5x s GLY 381 N -2.98 1.77 0.72 3.88 0.00 -1.26 -4.51 107.32 104.94 3k5x s GLY 381 Ca 0.18 -1.51 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 3k5x s GLY 381 CO 0.08 -1.01 1.13 2.56 0.00 0.00 0.00 173.10 175.86 3k5x s PRO 382 N -5.12 2.37 0.26 2.90 0.04 -1.26 -5.00 135.00 129.19 3k5x s PRO 382 Ca 0.64 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 3k5x s PRO 382 Cb -0.07 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3k5x s PRO 382 CO 0.44 -1.59 0.91 0.45 0.04 0.00 0.00 177.00 177.25 3k5x s SER 383 N -2.61 7.50 -0.08 6.66 0.15 -1.26 -4.95 113.70 119.11 3k5x s SER 383 Ca 0.68 1.86 0.12 0.00 0.70 0.00 0.00 55.95 59.30 3k5x s SER 383 Cb -0.22 -2.58 0.31 0.00 -1.71 0.00 0.00 66.02 61.81 3k5x s SER 383 CO 0.47 0.09 1.23 -3.20 1.20 0.00 0.00 173.24 173.03 3k5x n ASN 384 N 1.19 2.89 -4.77 5.45 5.15 -1.26 -4.82 115.26 119.10 3k5x n ASN 384 Ca -0.01 -2.54 -0.35 0.00 -0.60 0.00 0.00 54.58 51.07 3k5x n ASN 384 Cb 0.48 -0.32 0.02 0.00 -0.53 0.00 0.00 39.78 39.43 3k5x n ASN 384 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k5x s ALA 385 N -1.96 2.61 0.30 5.20 0.00 -1.26 -5.06 121.76 121.59 3k5x s ALA 385 Ca 0.26 0.82 0.10 0.00 0.00 0.00 0.00 51.96 53.14 3k5x s ALA 385 Cb 0.20 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3k5x s ALA 385 CO 0.08 -0.97 -0.05 0.95 0.00 0.00 0.00 175.76 175.77 3k5x s THR 386 N -1.83 2.86 0.32 0.00 -4.23 -1.26 -4.72 115.64 106.78 3k5x s THR 386 Ca 0.73 -2.06 0.15 0.00 -1.18 0.00 0.00 61.69 59.33 3k5x s THR 386 Cb -0.25 -2.69 0.11 0.00 1.34 0.00 0.00 72.50 71.02 3k5x s THR 386 CO 0.31 -0.31 1.81 -0.29 -0.54 0.00 0.00 174.62 175.60 3k5x h ILE 387 N 1.95 1.13 -0.41 2.99 2.10 -1.98 -2.53 117.51 120.76 3k5x h ILE 387 Ca -0.43 -1.34 -0.06 0.00 1.08 0.00 0.00 64.86 64.12 3k5x h ILE 387 Cb 1.25 1.75 -0.02 0.00 -1.09 0.00 0.00 36.82 38.72 3k5x h ILE 387 CO 0.63 0.36 0.02 -0.33 -1.08 0.00 0.00 178.15 177.76 3k5x h GLU 388 N 0.00 0.71 -0.33 2.19 3.07 -1.95 0.18 114.58 118.45 3k5x h GLU 388 Ca -0.00 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.61 3k5x h GLU 388 Cb 0.72 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3k5x h GLU 388 CO 0.05 0.78 0.09 1.96 -1.40 0.00 0.00 179.01 180.49 3k5x h GLN 389 N 0.55 0.53 0.09 2.33 4.20 -1.90 -3.31 115.11 117.59 3k5x h GLN 389 Ca 0.12 -0.12 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 3k5x h GLN 389 Cb 0.44 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3k5x h GLN 389 CO 0.02 0.58 -1.51 -0.07 -0.67 0.00 0.00 178.83 177.18 3k5x h LEU 390 N 0.38 0.28 -1.66 1.46 3.38 -1.44 -3.50 115.31 114.21 3k5x h LEU 390 Ca 0.11 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3k5x h LEU 390 Cb 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k5x h LEU 390 CO 0.00 1.34 0.00 0.47 0.09 0.00 0.00 178.44 180.34