#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4x n LYS 2 N 0.00 1.06 -4.24 2.12 4.81 -1.26 -4.98 118.16 115.67 3i4x n LYS 2 Ca 0.00 0.37 -0.23 0.00 -0.87 0.00 0.00 58.31 57.58 3i4x n LYS 2 Cb 0.00 -1.73 -0.07 0.00 0.02 0.00 0.00 35.03 33.25 3i4x n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i4x s ALA 3 N -0.74 3.28 0.45 3.14 0.00 -1.26 -5.10 121.76 121.52 3i4x s ALA 3 Ca 0.65 -1.57 -0.24 0.00 0.00 0.00 0.00 51.96 50.80 3i4x s ALA 3 Cb -0.80 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 3i4x s ALA 3 CO 0.57 0.28 1.15 0.00 0.00 0.00 0.00 175.76 177.76 3i4x n ALA 4 N -0.89 0.81 -3.61 0.00 0.00 -1.26 -5.01 120.51 110.54 3i4x n ALA 4 Ca -0.07 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 3i4x n ALA 4 Cb 0.58 -2.19 -0.16 0.00 0.00 0.00 0.00 19.45 17.68 3i4x n ALA 4 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i4x s ASN 5 N -0.70 1.56 0.58 0.00 3.84 -1.26 -4.29 114.94 114.66 3i4x s ASN 5 Ca 0.64 -0.18 0.28 0.00 0.21 0.00 0.00 52.86 53.81 3i4x s ASN 5 Cb -0.51 0.01 1.51 0.00 -0.55 0.00 0.00 41.25 41.70 3i4x s ASN 5 CO 0.56 -0.30 1.96 0.00 -2.79 0.00 0.00 177.10 176.53 3i4x h ALA 6 N 8.39 2.18 0.00 1.71 0.00 -1.38 0.24 119.26 130.40 3i4x h ALA 6 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i4x h ALA 6 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i4x h ALA 6 CO 0.23 -0.63 0.00 0.43 0.00 0.00 0.00 179.25 179.28 3i4x n SER 7 N -3.87 0.00 -0.31 0.00 7.64 -1.26 -1.14 113.62 114.69 3i4x n SER 7 Ca 0.07 0.27 0.12 0.00 1.01 0.00 0.00 58.87 60.35 3i4x n SER 7 Cb 0.59 -0.35 0.26 0.00 -1.01 0.00 0.00 64.21 63.70 3i4x n SER 7 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i4x n SER 8 N -1.35 1.31 -4.67 6.43 3.41 0.85 -4.77 113.62 114.83 3i4x n SER 8 Ca 0.03 -1.07 -0.47 0.00 -0.26 0.00 0.00 58.87 57.10 3i4x n SER 8 Cb 0.07 0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 3i4x n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4x n ALA 9 N -0.49 1.00 -0.17 7.33 0.00 -0.29 -4.84 120.51 123.06 3i4x n ALA 9 Ca 0.11 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 3i4x n ALA 9 Cb 0.38 -2.38 0.01 0.00 0.00 0.00 0.00 19.45 17.45 3i4x n ALA 9 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i4x h GLU 10 N 7.06 0.75 -0.71 0.00 4.81 -1.91 -1.58 114.58 123.01 3i4x h GLU 10 Ca -0.46 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 3i4x h GLU 10 Cb 1.27 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 3i4x h GLU 10 CO 0.91 0.71 0.40 0.00 -0.73 0.00 0.00 179.01 180.29 3i4x h ALA 11 N 1.01 1.37 -0.47 2.92 0.00 -1.94 0.28 119.26 122.43 3i4x h ALA 11 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i4x h ALA 11 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i4x h ALA 11 CO -0.00 0.52 0.26 -0.92 0.00 0.00 0.00 179.25 179.11 3i4x h TYR 12 N 0.98 0.65 -0.26 0.00 3.20 -1.72 -1.60 116.97 118.21 3i4x h TYR 12 Ca 0.25 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.92 3i4x h TYR 12 Cb 0.00 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3i4x h TYR 12 CO 0.01 0.48 -0.56 0.00 -1.64 0.00 0.00 178.16 176.44 3i4x h ARG 13 N 0.62 0.82 -0.11 1.82 3.08 -0.29 -1.72 114.38 118.61 3i4x h ARG 13 Ca 0.17 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3i4x h ARG 13 Cb 0.05 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3i4x h ARG 13 CO -0.03 1.16 0.02 0.28 -1.07 0.00 0.00 179.97 180.33 3i4x h VAL 14 N 0.62 1.21 -0.81 2.04 2.07 -0.46 -2.67 116.25 118.26 3i4x h VAL 14 Ca 0.01 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3i4x h VAL 14 Cb 1.16 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3i4x h VAL 14 CO 0.12 0.19 0.38 -0.07 0.02 0.00 0.00 177.57 178.21 3i4x h LEU 15 N -0.05 1.06 -1.35 2.57 3.38 -1.29 -0.57 115.31 119.06 3i4x h LEU 15 Ca 0.03 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.00 3i4x h LEU 15 Cb 0.28 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3i4x h LEU 15 CO 0.00 0.90 0.54 0.28 0.09 0.00 0.00 178.44 180.25 3i4x h SER 16 N 1.15 0.62 1.66 -0.43 0.02 -1.24 0.75 113.55 116.08 3i4x h SER 16 Ca 0.28 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3i4x h SER 16 Cb 0.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3i4x h SER 16 CO -0.03 0.34 0.00 0.03 -1.14 0.00 0.00 176.83 176.03 3i4x h ARG 17 N 0.68 0.00 0.00 3.45 3.08 -0.78 -3.33 114.38 117.47 3i4x h ARG 17 Ca 0.40 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.10 3i4x h ARG 17 Cb 0.60 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 3i4x h ARG 17 CO -0.16 0.00 -2.19 0.00 -1.07 0.00 0.00 179.97 176.55 3i4x n ALA 18 N -2.02 1.49 -2.03 0.04 0.00 0.07 -5.00 120.51 113.05 3i4x n ALA 18 Ca 0.04 -1.16 -0.40 0.00 0.00 0.00 0.00 53.44 51.92 3i4x n ALA 18 Cb 0.46 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 3i4x n ALA 18 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i4x s PHE 19 N -2.52 3.89 -0.09 0.00 0.08 -0.11 -5.03 117.98 114.20 3i4x s PHE 19 Ca -0.09 1.75 -0.22 0.00 0.12 0.00 0.00 56.93 58.49 3i4x s PHE 19 Cb 0.07 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 3i4x s PHE 19 CO 0.82 0.39 0.66 0.50 -0.10 0.00 0.00 175.22 177.49 3i4x s ARG 20 N -0.72 4.40 -0.13 0.44 3.52 -1.26 -5.00 118.95 120.21 3i4x s ARG 20 Ca 0.41 0.79 0.03 0.00 -0.13 0.00 0.00 55.73 56.82 3i4x s ARG 20 Cb -0.24 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3i4x s ARG 20 CO 0.29 0.06 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.55 3i4x s PHE 21 N 0.86 2.60 -1.52 5.12 0.08 -1.26 -5.02 117.98 118.85 3i4x s PHE 21 Ca 0.35 -1.25 0.23 0.00 0.12 0.00 0.00 56.93 56.38 3i4x s PHE 21 Cb -0.17 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 3i4x s PHE 21 CO 0.16 -0.56 1.10 -0.25 -0.10 0.00 0.00 175.22 175.57 3i4x n ASP 22 N 3.94 1.39 -4.10 1.36 8.00 -1.26 -4.91 116.55 120.97 3i4x n ASP 22 Ca -0.20 -1.14 -0.08 0.00 0.71 0.00 0.00 54.79 54.08 3i4x n ASP 22 Cb 0.52 0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 42.14 3i4x n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i4x s ASN 23 N -2.73 0.37 0.21 -2.24 2.20 -1.26 -5.05 114.94 106.44 3i4x s ASN 23 Ca 0.14 -1.08 -0.08 0.00 -0.94 0.00 0.00 52.86 50.91 3i4x s ASN 23 Cb 0.17 0.26 0.16 0.00 -2.00 0.00 0.00 41.25 39.84 3i4x s ASN 23 CO 0.69 -0.68 1.76 -0.08 -2.94 0.00 0.00 177.10 175.86 3i4x h GLU 24 N 2.97 1.17 -0.46 3.55 4.57 -1.99 -2.76 114.58 121.63 3i4x h GLU 24 Ca -0.34 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.60 3i4x h GLU 24 Cb 1.17 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 3i4x h GLU 24 CO 0.61 0.97 0.26 -0.44 -1.18 0.00 0.00 179.01 179.24 3i4x h ASP 25 N 1.13 0.58 -0.42 1.04 3.32 -1.97 0.11 116.42 120.22 3i4x h ASP 25 Ca 0.25 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3i4x h ASP 25 Cb 0.27 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3i4x h ASP 25 CO -0.01 0.49 0.12 1.56 -1.72 0.00 0.00 179.24 179.68 3i4x h GLN 26 N 0.61 0.66 -0.71 3.56 4.20 -1.86 0.10 115.11 121.68 3i4x h GLN 26 Ca 0.16 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3i4x h GLN 26 Cb 0.04 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3i4x h GLN 26 CO -0.03 0.66 0.45 -0.22 -0.67 0.00 0.00 178.83 179.03 3i4x h LYS 27 N 0.54 0.87 -0.32 1.46 3.64 -1.15 0.11 116.57 121.72 3i4x h LYS 27 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3i4x h LYS 27 Cb 0.29 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3i4x h LYS 27 CO -0.00 0.57 0.02 -0.07 -2.27 0.00 0.00 179.45 177.71 3i4x h LEU 28 N 0.89 0.53 -0.54 5.20 3.38 -0.43 -1.38 115.31 122.96 3i4x h LEU 28 Ca 0.28 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3i4x h LEU 28 Cb -0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3i4x h LEU 28 CO -0.09 0.69 0.22 -0.50 0.09 0.00 0.00 178.44 178.84 3i4x h TRP 29 N 0.36 0.39 0.01 1.13 4.06 -0.40 0.24 115.95 121.74 3i4x h TRP 29 Ca 0.09 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3i4x h TRP 29 Cb 0.40 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3i4x h TRP 29 CO 0.03 0.14 -0.01 2.35 -3.56 0.00 0.00 178.44 177.39 3i4x h TRP 30 N 0.42 -0.03 0.00 0.49 2.91 -0.54 -1.81 115.95 117.39 3i4x h TRP 30 Ca 0.26 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.20 3i4x h TRP 30 Cb 0.26 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 3i4x h TRP 30 CO -0.14 -0.02 -0.38 0.45 -1.03 0.00 0.00 178.44 177.31 3i4x h HIS 31 N -0.03 0.00 -0.42 2.65 3.86 -0.75 -0.25 115.15 120.21 3i4x h HIS 31 Ca 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 3i4x h HIS 31 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3i4x h HIS 31 CO -0.09 0.38 -0.30 1.03 0.86 0.00 0.00 177.93 179.81 3i4x h SER 32 N 0.00 0.98 0.00 2.45 0.87 -0.28 -3.40 113.55 114.18 3i4x h SER 32 Ca -0.00 -0.41 -0.22 0.00 -1.23 0.00 0.00 61.79 59.92 3i4x h SER 32 Cb 0.87 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 3i4x h SER 32 CO 0.05 1.20 -1.84 0.35 -0.53 0.00 0.00 176.83 176.07 3i4x n THR 33 N -4.08 0.84 0.04 2.23 -2.24 -0.70 -0.96 114.28 109.40 3i4x n THR 33 Ca -0.01 -0.51 0.01 0.00 -2.27 0.00 0.00 64.05 61.27 3i4x n THR 33 Cb 0.50 -0.70 0.33 0.00 -2.10 0.00 0.00 70.33 68.37 3i4x n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4x h ALA 34 N 0.57 1.43 -0.27 6.98 0.00 -1.24 -1.74 119.26 124.99 3i4x h ALA 34 Ca -0.33 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.41 3i4x h ALA 34 Cb 1.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3i4x h ALA 34 CO 0.01 0.40 0.13 -1.35 0.00 0.00 0.00 179.25 178.44 3i4x h PRO 35 N 0.42 0.27 -0.41 0.00 0.11 -1.78 0.49 132.00 131.10 3i4x h PRO 35 Ca 0.09 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 3i4x h PRO 35 Cb 0.32 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3i4x h PRO 35 CO 0.01 0.18 -0.04 1.98 -0.21 0.00 0.00 178.00 179.92 3i4x h MET 36 N 0.28 0.75 -0.03 1.05 1.85 -1.79 -0.29 114.93 116.75 3i4x h MET 36 Ca 0.11 -0.26 0.01 0.00 -0.61 0.00 0.00 59.70 58.96 3i4x h MET 36 Cb 0.04 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 3i4x h MET 36 CO -0.08 0.85 -0.05 0.35 -0.40 0.00 0.00 176.91 177.57 3i4x h PHE 37 N 0.57 -0.13 -0.53 1.39 3.04 -1.01 0.43 116.94 120.71 3i4x h PHE 37 Ca 0.11 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.96 3i4x h PHE 37 Cb 0.54 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 3i4x h PHE 37 CO 0.04 -0.09 -0.09 0.00 -2.02 0.00 0.00 178.31 176.16 3i4x h ALA 38 N 0.93 0.84 -0.42 2.41 0.00 0.17 -1.21 119.26 121.97 3i4x h ALA 38 Ca 0.03 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3i4x h ALA 38 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3i4x h ALA 38 CO -0.08 0.66 -0.13 -0.22 0.00 0.00 0.00 179.25 179.48 3i4x h LYS 39 N 0.87 0.78 -0.35 0.00 1.63 -0.82 -1.53 116.57 117.15 3i4x h LYS 39 Ca 0.14 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 3i4x h LYS 39 Cb 0.64 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3i4x h LYS 39 CO 0.04 0.87 0.04 1.98 -3.45 0.00 0.00 179.45 178.94 3i4x h MET 40 N 0.70 0.59 -0.60 1.90 4.05 0.33 -1.43 114.93 120.47 3i4x h MET 40 Ca 0.11 -0.17 0.08 0.00 -0.28 0.00 0.00 59.70 59.45 3i4x h MET 40 Cb 0.62 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.29 3i4x h MET 40 CO 0.04 0.67 0.25 -0.07 0.23 0.00 0.00 176.91 178.04 3i4x h LEU 41 N 0.42 0.29 -0.19 3.39 3.38 -1.04 -0.20 115.31 121.35 3i4x h LEU 41 Ca 0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i4x h LEU 41 Cb 0.38 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3i4x h LEU 41 CO 0.01 0.18 0.10 -0.33 0.09 0.00 0.00 178.44 178.49 3i4x h GLU 42 N 0.46 0.27 0.00 1.13 5.08 -1.11 -0.91 114.58 119.50 3i4x h GLU 42 Ca 0.30 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3i4x h GLU 42 Cb 0.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i4x h GLU 42 CO -0.27 0.27 -0.11 1.79 -1.00 0.00 0.00 179.01 179.68 3i4x h THR 43 N 0.20 0.22 -0.09 1.13 1.35 -0.96 -1.53 112.91 113.23 3i4x h THR 43 Ca 0.07 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3i4x h THR 43 Cb 0.08 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3i4x h THR 43 CO -0.01 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 3i4x n ALA 44 N -2.14 2.54 -2.52 6.62 0.00 -0.11 -4.90 120.51 120.00 3i4x n ALA 44 Ca 0.02 -0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 3i4x n ALA 44 Cb 0.50 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.82 3i4x n ALA 44 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i4x n ASN 45 N -0.27 -4.72 -4.76 0.00 3.02 -0.58 -4.85 115.26 103.10 3i4x n ASN 45 Ca 0.11 -0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 3i4x n ASN 45 Cb 0.15 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.56 3i4x n ASN 45 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i4x s TYR 46 N -2.87 3.17 0.87 3.10 1.51 -0.39 -5.00 117.35 117.74 3i4x s TYR 46 Ca 0.10 1.38 -0.12 0.00 -1.01 0.00 0.00 57.07 57.42 3i4x s TYR 46 Cb -0.04 -3.62 0.11 0.00 -0.11 0.00 0.00 41.96 38.30 3i4x s TYR 46 CO 0.12 -1.75 1.13 0.25 -1.11 0.00 0.00 175.55 174.20 3i4x n THR 47 N 1.40 0.95 -0.15 -0.71 -2.24 -1.26 -4.70 114.28 107.57 3i4x n THR 47 Ca 0.02 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 3i4x n THR 47 Cb 0.42 -1.07 0.06 0.00 -2.10 0.00 0.00 70.33 67.64 3i4x n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i4x h THR 48 N -1.42 0.79 -0.74 4.28 2.02 -1.99 -0.31 112.91 115.55 3i4x h THR 48 Ca -0.45 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3i4x h THR 48 Cb 1.28 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3i4x h THR 48 CO 0.43 0.05 0.49 -0.65 0.37 0.00 0.00 175.52 176.21 3i4x h PRO 49 N 0.29 0.92 -0.38 6.66 0.11 -2.00 -1.84 132.00 135.76 3i4x h PRO 49 Ca 0.23 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.14 3i4x h PRO 49 Cb 0.27 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3i4x h PRO 49 CO -0.27 0.61 -0.35 0.00 -0.21 0.00 0.00 178.00 177.77 3i4x h GLN 51 N 0.73 -0.08 -0.09 0.00 4.20 -0.51 -0.58 115.11 118.77 3i4x h GLN 51 Ca 0.07 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3i4x h GLN 51 Cb 0.93 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3i4x h GLN 51 CO 0.09 -0.05 0.05 1.88 -0.67 0.00 0.00 178.83 180.13 3i4x h TYR 52 N -0.08 0.10 -0.27 2.96 0.05 -1.19 -2.05 116.97 116.49 3i4x h TYR 52 Ca 0.15 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.97 3i4x h TYR 52 Cb 0.31 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 3i4x h TYR 52 CO -0.32 0.06 0.02 0.37 -1.05 0.00 0.00 178.16 177.24 3i4x h GLN 53 N 0.11 0.10 -0.16 4.88 4.15 -0.06 -0.04 115.11 124.09 3i4x h GLN 53 Ca 0.04 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 3i4x h GLN 53 Cb -0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3i4x h GLN 53 CO -0.02 0.07 -0.58 1.88 -1.93 0.00 0.00 178.83 178.25 3i4x h TYR 54 N 0.10 0.66 -0.17 3.99 0.05 -1.05 -2.00 116.97 118.55 3i4x h TYR 54 Ca 0.13 -0.24 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 3i4x h TYR 54 Cb 0.15 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3i4x h TYR 54 CO -0.19 0.97 -0.53 -0.07 -1.05 0.00 0.00 178.16 177.29 3i4x h LEU 55 N 0.39 0.54 -0.12 3.88 3.38 -1.07 -1.58 115.31 120.72 3i4x h LEU 55 Ca 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3i4x h LEU 55 Cb 1.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i4x h LEU 55 CO 0.11 0.97 -0.01 0.40 0.09 0.00 0.00 178.44 179.99 3i4x h ILE 56 N 0.38 1.27 -0.58 1.22 2.04 -0.84 -0.01 117.51 120.99 3i4x h ILE 56 Ca 0.01 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3i4x h ILE 56 Cb 1.05 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 3i4x h ILE 56 CO 0.10 0.25 0.34 0.74 0.00 0.00 0.00 178.15 179.57 3i4x h THR 57 N -0.06 1.03 0.14 -0.27 2.02 -1.35 0.31 112.91 114.72 3i4x h THR 57 Ca 0.03 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3i4x h THR 57 Cb 0.39 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3i4x h THR 57 CO 0.01 0.12 -0.30 0.22 0.37 0.00 0.00 175.52 175.94 3i4x h TYR 58 N 0.66 -0.81 -0.46 3.16 3.20 -1.22 0.49 116.97 121.98 3i4x h TYR 58 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3i4x h TYR 58 Cb 0.06 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3i4x h TYR 58 CO -0.07 -0.41 0.30 -0.22 -1.64 0.00 0.00 178.16 176.12 3i4x h LYS 59 N -0.53 0.61 0.09 1.82 3.11 -0.61 0.11 116.57 121.17 3i4x h LYS 59 Ca 0.03 -0.04 -0.29 0.00 -2.81 0.00 0.00 60.65 57.54 3i4x h LYS 59 Cb 0.55 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 3i4x h LYS 59 CO -0.17 0.42 -1.45 0.93 -2.81 0.00 0.00 179.45 176.37 3i4x h GLU 60 N 0.62 0.19 0.00 1.90 5.08 -0.21 -3.32 114.58 118.84 3i4x h GLU 60 Ca 0.17 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 3i4x h GLU 60 Cb -0.05 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3i4x h GLU 60 CO -0.04 1.04 -1.94 0.00 -1.00 0.00 0.00 179.01 177.07 3i4x n VAL 62 N -2.36 0.83 -0.33 0.00 0.31 0.09 -4.53 118.33 112.35 3i4x n VAL 62 Ca -0.15 -0.25 0.10 0.00 -0.01 0.00 0.00 64.34 64.03 3i4x n VAL 62 Cb 0.75 -1.42 0.27 0.00 -0.91 0.00 0.00 33.84 32.53 3i4x n VAL 62 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3i4x h ILE 63 N -0.33 0.71 0.00 2.52 2.04 -0.99 0.38 117.51 121.84 3i4x h ILE 63 Ca -0.36 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3i4x h ILE 63 Cb 1.40 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3i4x h ILE 63 CO -0.16 0.13 0.00 -2.65 0.00 0.00 0.00 178.15 175.46 3i4x n PRO 64 N -4.83 0.08 -0.59 2.37 -0.02 -1.26 -1.21 135.00 129.55 3i4x n PRO 64 Ca 0.20 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 3i4x n PRO 64 Cb 0.51 -1.69 0.34 0.00 -0.02 0.00 0.00 33.50 32.63 3i4x n PRO 64 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i4x n SER 65 N -1.86 4.62 -1.13 2.55 7.64 0.13 -4.45 113.62 121.12 3i4x n SER 65 Ca 0.02 -2.51 0.11 0.00 1.01 0.00 0.00 58.87 57.50 3i4x n SER 65 Cb 0.13 -0.56 0.26 0.00 -1.01 0.00 0.00 64.21 63.04 3i4x n SER 65 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i4x n LEU 66 N 0.88 3.34 0.00 -3.43 4.77 -0.35 -0.41 117.00 121.80 3i4x n LEU 66 Ca 0.24 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 3i4x n LEU 66 Cb 0.88 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3i4x n LEU 66 CO 0.22 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3i4x n GLY 67 N 1.50 -0.85 3.71 -0.72 0.00 -1.26 -4.83 105.19 102.73 3i4x n GLY 67 Ca 0.20 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3i4x n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4x s TYR 69 N -2.20 2.78 0.11 0.00 5.04 -1.26 -4.91 117.35 116.91 3i4x s TYR 69 Ca 0.72 0.55 -0.31 0.00 -2.44 0.00 0.00 57.07 55.59 3i4x s TYR 69 Cb -0.27 -3.88 -0.08 0.00 0.35 0.00 0.00 41.96 38.08 3i4x s TYR 69 CO 0.50 -3.38 1.38 -2.14 -1.34 0.00 0.00 175.55 170.57 3i4x s PRO 70 N 1.93 4.33 0.13 4.97 0.02 -1.26 -5.01 135.00 140.11 3i4x s PRO 70 Ca 0.70 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 63.75 3i4x s PRO 70 Cb -0.40 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.82 3i4x s PRO 70 CO 0.31 -0.43 0.09 0.95 -0.33 0.00 0.00 177.00 177.59 3i4x s THR 71 N 1.14 0.10 -1.54 0.99 -4.23 -1.26 -5.04 115.64 105.80 3i4x s THR 71 Ca 0.64 -1.84 0.29 0.00 -1.18 0.00 0.00 61.69 59.60 3i4x s THR 71 Cb -0.36 -2.01 0.48 0.00 1.34 0.00 0.00 72.50 71.95 3i4x s THR 71 CO 0.30 -0.45 1.94 0.59 -0.54 0.00 0.00 174.62 176.47 3i4x n ASN 72 N -0.11 0.25 0.01 3.99 3.02 -1.26 -4.05 115.26 117.11 3i4x n ASN 72 Ca -0.06 -0.38 0.11 0.00 -0.03 0.00 0.00 54.58 54.22 3i4x n ASN 72 Cb 0.64 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 3i4x n ASN 72 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3i4x n SER 73 N -1.12 0.65 -4.10 6.41 3.41 -1.26 -4.93 113.62 112.68 3i4x n SER 73 Ca 0.14 -0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 58.11 3i4x n SER 73 Cb 0.26 1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 65.22 3i4x n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4x s ALA 74 N -3.17 0.72 0.43 7.33 0.00 -1.26 -5.13 121.76 120.69 3i4x s ALA 74 Ca 0.03 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 50.76 3i4x s ALA 74 Cb 0.15 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.27 3i4x s ALA 74 CO 0.85 -0.10 1.27 -2.30 0.00 0.00 0.00 175.76 175.48 3i4x n PRO 75 N 0.90 1.89 -3.82 0.00 -0.02 -1.26 -4.65 135.00 128.04 3i4x n PRO 75 Ca -0.19 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3i4x n PRO 75 Cb 0.57 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 3i4x n PRO 75 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i4x s ARG 76 N -2.26 0.79 0.03 -0.52 1.70 -1.26 -4.98 118.95 112.45 3i4x s ARG 76 Ca 0.62 -0.71 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 3i4x s ARG 76 Cb -0.50 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.16 3i4x s ARG 76 CO 0.57 -0.25 1.22 -0.46 -1.08 0.00 0.00 175.30 175.31 3i4x s TRP 77 N -3.04 3.33 -0.36 5.89 -0.11 -1.26 -4.98 118.94 118.40 3i4x s TRP 77 Ca -0.01 1.23 -0.19 0.00 1.22 0.00 0.00 56.10 58.35 3i4x s TRP 77 Cb 0.01 -3.45 0.00 0.00 -1.50 0.00 0.00 33.47 28.53 3i4x s TRP 77 CO -0.06 -1.41 0.57 -0.51 -4.62 0.00 0.00 176.95 170.91 3i4x s LEU 78 N 1.42 4.33 0.08 5.86 1.43 -1.26 -4.80 118.68 125.73 3i4x s LEU 78 Ca 0.59 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.51 3i4x s LEU 78 Cb -0.29 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.19 3i4x s LEU 78 CO 0.27 -0.55 0.58 -0.55 0.23 0.00 0.00 176.35 176.34 3i4x s SER 79 N 1.79 7.07 0.31 2.29 0.15 0.34 -4.32 113.70 121.34 3i4x s SER 79 Ca 0.21 1.28 0.24 0.00 0.70 0.00 0.00 55.95 58.38 3i4x s SER 79 Cb -0.15 -2.36 1.10 0.00 -1.71 0.00 0.00 66.02 62.90 3i4x s SER 79 CO 0.14 0.27 1.73 -0.29 1.20 0.00 0.00 173.24 176.29 3i4x h ILE 80 N 3.50 0.00 -0.68 6.45 6.09 -1.90 -3.27 117.51 127.70 3i4x h ILE 80 Ca -0.49 -0.18 0.10 0.00 -1.37 0.00 0.00 64.86 62.92 3i4x h ILE 80 Cb 1.21 0.86 -0.08 0.00 0.47 0.00 0.00 36.82 39.29 3i4x h ILE 80 CO 0.64 0.00 0.29 0.25 -3.07 0.00 0.00 178.15 176.26 3i4x h LEU 81 N 0.00 0.33 -8.78 2.19 5.85 -1.91 -3.44 115.31 109.55 3i4x h LEU 81 Ca 0.00 0.08 -0.42 0.00 0.84 0.00 0.00 57.88 58.38 3i4x h LEU 81 Cb 0.26 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 41.17 3i4x h LEU 81 CO 0.00 0.18 -0.74 0.42 -0.34 0.00 0.00 178.44 177.96 3i4x s THR 82 N -6.06 1.53 0.55 1.05 -4.23 -1.23 -5.02 115.64 102.21 3i4x s THR 82 Ca -0.13 -2.07 0.21 0.00 -1.18 0.00 0.00 61.69 58.53 3i4x s THR 82 Cb 0.18 -1.89 0.30 0.00 1.34 0.00 0.00 72.50 72.43 3i4x s THR 82 CO 0.76 -0.59 2.18 0.03 -0.54 0.00 0.00 174.62 176.46 3i4x h ARG 83 N 2.82 0.00 -0.02 3.99 2.47 -1.86 -0.34 114.38 121.45 3i4x h ARG 83 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3i4x h ARG 83 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3i4x h ARG 83 CO 0.60 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.79 3i4x n TYR 84 N -4.28 0.01 -1.03 3.04 4.01 -1.26 0.43 117.16 118.08 3i4x n TYR 84 Ca -0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 57.90 57.70 3i4x n TYR 84 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 3i4x n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i4x n GLY 85 N 1.07 0.33 3.77 2.72 0.00 -0.14 -4.73 105.19 108.21 3i4x n GLY 85 Ca 0.21 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3i4x n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4x s THR 86 N -1.55 3.83 -0.29 2.61 -4.23 -1.26 -0.50 115.64 114.25 3i4x s THR 86 Ca 0.00 1.66 0.03 0.00 -1.18 0.00 0.00 61.69 62.19 3i4x s THR 86 Cb 0.00 -3.98 0.43 0.00 1.34 0.00 0.00 72.50 70.29 3i4x s THR 86 CO 0.00 0.25 1.58 -0.81 -0.54 0.00 0.00 174.62 175.11 3i4x n PRO 87 N 0.80 1.82 -3.74 3.99 -0.04 -1.26 -3.90 135.00 132.67 3i4x n PRO 87 Ca 0.01 -1.92 -0.12 0.00 -0.04 0.00 0.00 63.50 61.43 3i4x n PRO 87 Cb 0.48 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 3i4x n PRO 87 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i4x s PHE 88 N -2.10 -0.40 -0.22 0.54 5.36 -1.26 -1.64 117.98 118.26 3i4x s PHE 88 Ca 0.36 0.94 -0.14 0.00 -0.96 0.00 0.00 56.93 57.13 3i4x s PHE 88 Cb 0.31 0.14 0.06 0.00 -0.34 0.00 0.00 43.02 43.19 3i4x s PHE 88 CO 0.07 -0.22 0.54 -2.00 -1.46 0.00 0.00 175.22 172.15 3i4x s GLU 89 N 0.68 0.55 0.22 10.12 2.12 -0.40 -4.58 118.70 127.41 3i4x s GLU 89 Ca -0.04 0.93 -0.09 0.00 0.36 0.00 0.00 54.97 56.14 3i4x s GLU 89 Cb -0.05 0.11 -0.07 0.00 0.26 0.00 0.00 34.13 34.37 3i4x s GLU 89 CO -0.04 -0.14 0.52 -0.51 -0.54 0.00 0.00 175.26 174.55 3i4x s LEU 90 N 1.24 4.18 0.01 2.70 1.43 -1.25 -0.53 118.68 126.45 3i4x s LEU 90 Ca -0.08 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 3i4x s LEU 90 Cb -0.06 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 3i4x s LEU 90 CO -0.12 -0.06 -0.06 -0.94 0.23 0.00 0.00 176.35 175.40 3i4x s SER 91 N -2.40 0.74 -0.29 2.29 1.04 0.03 -1.93 113.70 113.18 3i4x s SER 91 Ca 0.46 -0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 3i4x s SER 91 Cb -0.11 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 3i4x s SER 91 CO 0.22 -0.00 0.09 -0.22 0.98 0.00 0.00 173.24 174.31 3i4x s LEU 92 N -0.54 3.80 -0.76 2.42 2.96 -0.51 -0.77 118.68 125.27 3i4x s LEU 92 Ca -0.01 -0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 53.11 3i4x s LEU 92 Cb -0.04 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3i4x s LEU 92 CO -0.00 -0.15 1.56 0.21 -1.32 0.00 0.00 176.35 176.65 3i4x s ASN 93 N 1.56 5.82 0.42 3.68 3.04 0.19 -1.40 114.94 128.24 3i4x s ASN 93 Ca 0.04 -0.38 0.15 0.00 0.04 0.00 0.00 52.86 52.71 3i4x s ASN 93 Cb -0.17 -2.55 0.91 0.00 -1.54 0.00 0.00 41.25 37.90 3i4x s ASN 93 CO 0.04 -2.06 1.91 0.00 -3.04 0.00 0.00 177.10 173.95 3i4x h SER 95 N 0.00 0.00 -0.03 0.00 4.64 -1.83 -3.24 113.55 113.09 3i4x h SER 95 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i4x h SER 95 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3i4x h SER 95 CO 0.04 0.51 0.00 0.59 -0.87 0.00 0.00 176.83 177.10 3i4x n ASN 96 N -3.43 1.58 -3.84 4.97 3.02 -1.09 -5.00 115.26 111.47 3i4x n ASN 96 Ca 0.00 -1.45 -0.27 0.00 -0.03 0.00 0.00 54.58 52.84 3i4x n ASN 96 Cb 0.64 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.82 3i4x n ASN 96 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3i4x n SER 97 N -0.04 -3.18 -4.54 6.41 7.64 0.26 -4.99 113.62 115.18 3i4x n SER 97 Ca 0.02 -0.81 -0.34 0.00 1.01 0.00 0.00 58.87 58.75 3i4x n SER 97 Cb 0.15 -3.91 -0.12 0.00 -1.01 0.00 0.00 64.21 59.32 3i4x n SER 97 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i4x s ILE 98 N -3.48 3.97 -0.10 0.44 -1.09 -0.89 -4.84 121.20 115.23 3i4x s ILE 98 Ca 0.38 -0.34 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 3i4x s ILE 98 Cb -0.19 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 3i4x s ILE 98 CO 0.83 0.52 0.34 -0.69 -1.23 0.00 0.00 174.94 174.70 3i4x s VAL 99 N 0.06 5.22 0.17 2.92 1.01 -1.26 0.53 120.40 129.04 3i4x s VAL 99 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.67 3i4x s VAL 99 Cb -0.13 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3i4x s VAL 99 CO 0.03 0.47 -0.04 -0.13 0.00 0.00 0.00 175.10 175.43 3i4x s ARG 100 N -0.22 1.10 0.08 2.72 3.00 0.05 -1.65 118.95 124.03 3i4x s ARG 100 Ca 0.20 -1.51 -0.12 0.00 0.00 0.00 0.00 55.73 54.30 3i4x s ARG 100 Cb -0.14 -0.43 0.01 0.00 0.00 0.00 0.00 34.95 34.39 3i4x s ARG 100 CO 0.08 -0.05 0.27 1.52 0.00 0.00 0.00 175.30 177.12 3i4x s TYR 101 N -3.51 -0.01 0.03 -0.53 -0.85 -0.71 -0.79 117.35 110.98 3i4x s TYR 101 Ca 0.21 -0.28 0.07 0.00 -0.52 0.00 0.00 57.07 56.55 3i4x s TYR 101 Cb 0.05 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.42 3i4x s TYR 101 CO 0.03 -0.55 -0.20 0.99 -1.52 0.00 0.00 175.55 174.29 3i4x s THR 102 N -3.30 1.63 0.08 -3.49 2.01 0.31 -0.55 115.64 112.32 3i4x s THR 102 Ca 0.00 -1.13 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 3i4x s THR 102 Cb 0.02 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 3i4x s THR 102 CO -0.08 0.24 0.09 0.72 -0.69 0.00 0.00 174.62 174.90 3i4x s PHE 103 N -0.75 0.37 -0.35 4.92 -0.12 0.27 -1.27 117.98 121.07 3i4x s PHE 103 Ca 0.07 -0.85 -0.09 0.00 -0.05 0.00 0.00 56.93 56.02 3i4x s PHE 103 Cb -0.09 -0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.10 3i4x s PHE 103 CO 0.01 -0.48 0.15 -2.00 -0.05 0.00 0.00 175.22 172.85 3i4x s GLU 104 N -3.91 2.84 0.22 1.99 2.12 -0.65 -0.72 118.70 120.58 3i4x s GLU 104 Ca 0.08 -1.05 -0.32 0.00 0.36 0.00 0.00 54.97 54.04 3i4x s GLU 104 Cb 0.06 -3.59 -0.14 0.00 0.26 0.00 0.00 34.13 30.73 3i4x s GLU 104 CO -0.09 -0.63 1.42 -2.30 -0.54 0.00 0.00 175.26 173.12 3i4x n PRO 105 N 4.92 1.98 -3.91 4.30 -0.02 -1.26 -4.75 135.00 136.27 3i4x n PRO 105 Ca -0.12 0.71 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 3i4x n PRO 105 Cb 0.46 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 3i4x n PRO 105 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i4x s ILE 106 N 0.13 0.09 0.01 4.25 1.01 0.45 -4.56 121.20 122.57 3i4x s ILE 106 Ca 0.71 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3i4x s ILE 106 Cb -0.68 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 3i4x s ILE 106 CO 0.47 0.06 0.00 -0.46 0.00 0.00 0.00 174.94 175.02 3i4x n ASN 107 N 3.47 0.47 0.20 3.58 0.23 -1.26 -4.14 115.26 117.80 3i4x n ASN 107 Ca -0.18 -1.03 0.15 0.00 -0.53 0.00 0.00 54.58 52.98 3i4x n ASN 107 Cb 0.56 0.02 0.76 0.00 -2.08 0.00 0.00 39.78 39.04 3i4x n ASN 107 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3i4x h GLN 108 N 0.00 0.00 0.00 -3.83 3.07 -2.01 -1.31 115.11 111.03 3i4x h GLN 108 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3i4x h GLN 108 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3i4x h GLN 108 CO 0.01 0.00 -0.62 0.72 0.09 0.00 0.00 178.83 179.03 3i4x n HIS 109 N -4.14 0.15 -1.66 0.06 8.25 -1.26 -4.79 115.22 111.82 3i4x n HIS 109 Ca 0.01 0.04 -0.48 0.00 -0.26 0.00 0.00 57.72 57.03 3i4x n HIS 109 Cb 0.27 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 3i4x n HIS 109 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i4x n THR 110 N -1.69 0.17 -0.92 1.59 -1.04 -0.50 -1.45 114.28 110.45 3i4x n THR 110 Ca 0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3i4x n THR 110 Cb 0.37 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3i4x n THR 110 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i4x n GLY 111 N 3.59 0.56 4.02 3.41 0.00 -0.05 -4.94 105.19 111.77 3i4x n GLY 111 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3i4x n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4x s THR 112 N -2.52 2.27 -1.13 2.61 -4.23 -0.52 -4.78 115.64 107.33 3i4x s THR 112 Ca 0.00 -0.86 0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3i4x s THR 112 Cb 0.00 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.58 3i4x s THR 112 CO 0.00 0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.56 3i4x n ASP 113 N -2.39 0.00 0.12 3.99 5.68 -1.26 -1.13 116.55 121.57 3i4x n ASP 113 Ca 0.14 0.38 0.07 0.00 -0.50 0.00 0.00 54.79 54.87 3i4x n ASP 113 Cb 0.61 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 40.18 3i4x n ASP 113 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3i4x h LYS 114 N 0.00 0.00 -0.88 0.11 1.57 -1.94 -3.39 116.57 112.05 3i4x h LYS 114 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 3i4x h LYS 114 Cb 0.19 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.24 3i4x h LYS 114 CO 0.00 0.19 -0.77 -3.47 -0.57 0.00 0.00 179.45 174.83 3i4x n ASP 115 N -2.95 -1.39 0.29 0.86 2.03 -0.73 -5.00 116.55 109.66 3i4x n ASP 115 Ca -0.01 -3.14 0.17 0.00 0.52 0.00 0.00 54.79 52.32 3i4x n ASP 115 Cb 0.66 0.77 0.85 0.00 -0.72 0.00 0.00 41.12 42.68 3i4x n ASP 115 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3i4x h PRO 116 N 3.71 0.00 -0.29 -0.67 0.13 -1.33 0.10 132.00 133.65 3i4x h PRO 116 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3i4x h PRO 116 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3i4x h PRO 116 CO 0.36 0.06 0.00 1.19 -0.23 0.00 0.00 178.00 179.38 3i4x n PHE 117 N -3.36 0.56 -3.57 1.56 3.72 -1.26 -4.24 117.46 110.87 3i4x n PHE 117 Ca -0.02 -0.62 -0.19 0.00 -0.05 0.00 0.00 57.45 56.57 3i4x n PHE 117 Cb 0.21 -0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 3i4x n PHE 117 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3i4x n ASN 118 N 0.12 -1.75 0.00 4.37 5.15 -0.76 -4.14 115.26 118.26 3i4x n ASN 118 Ca 0.14 -0.73 0.10 0.00 -0.60 0.00 0.00 54.58 53.49 3i4x n ASN 118 Cb 0.55 -4.55 -0.07 0.00 -0.53 0.00 0.00 39.78 35.18 3i4x n ASN 118 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3i4x n THR 119 N -4.18 0.02 -0.08 -0.44 5.66 -1.26 -4.37 114.28 109.62 3i4x n THR 119 Ca -0.29 -0.09 -0.07 0.00 -3.05 0.00 0.00 64.05 60.56 3i4x n THR 119 Cb 0.67 0.71 -0.16 0.00 -1.55 0.00 0.00 70.33 70.01 3i4x n THR 119 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i4x n HIS 120 N -1.64 0.00 0.27 1.09 8.25 -1.26 -4.62 115.22 117.31 3i4x n HIS 120 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3i4x n HIS 120 Cb 0.37 -0.89 0.79 0.00 1.12 0.00 0.00 29.99 31.38 3i4x n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4x h ALA 121 N 1.10 1.76 -0.19 -1.41 0.00 -1.85 -2.19 119.26 116.47 3i4x h ALA 121 Ca -0.45 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3i4x h ALA 121 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 3i4x h ALA 121 CO 0.02 -0.02 0.13 0.97 0.00 0.00 0.00 179.25 180.35 3i4x h ILE 122 N 0.00 1.03 -0.55 0.00 2.10 -1.82 -2.02 117.51 116.25 3i4x h ILE 122 Ca 0.01 -0.08 -0.06 0.00 1.08 0.00 0.00 64.86 65.81 3i4x h ILE 122 Cb 0.04 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 36.53 3i4x h ILE 122 CO -0.00 0.04 0.09 -0.50 -1.08 0.00 0.00 178.15 176.70 3i4x h TRP 123 N 0.23 0.92 -0.39 2.19 4.06 -1.73 -1.71 115.95 119.52 3i4x h TRP 123 Ca 0.07 -0.11 -0.13 0.00 2.06 0.00 0.00 58.89 60.78 3i4x h TRP 123 Cb 0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 3i4x h TRP 123 CO -0.00 0.79 -0.29 1.49 -3.56 0.00 0.00 178.44 176.87 3i4x h GLU 124 N 0.83 0.85 -0.64 0.49 4.81 -1.53 -1.00 114.58 118.39 3i4x h GLU 124 Ca 0.17 -0.38 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 3i4x h GLU 124 Cb 0.37 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3i4x h GLU 124 CO 0.01 1.02 0.05 0.77 -0.73 0.00 0.00 179.01 180.13 3i4x h SER 125 N 0.72 1.06 -0.73 1.04 0.02 -1.32 -2.88 113.55 111.46 3i4x h SER 125 Ca 0.08 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3i4x h SER 125 Cb 0.84 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3i4x h SER 125 CO 0.07 1.08 0.43 -0.07 -1.14 0.00 0.00 176.83 177.20 3i4x h LEU 126 N 1.01 0.88 -0.88 5.07 3.38 -1.15 -2.06 115.31 121.56 3i4x h LEU 126 Ca 0.19 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.24 3i4x h LEU 126 Cb 0.50 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 3i4x h LEU 126 CO 0.02 0.69 0.47 -0.61 0.09 0.00 0.00 178.44 179.11 3i4x h GLN 127 N 0.99 0.63 0.00 1.13 4.15 -0.98 0.28 115.11 121.31 3i4x h GLN 127 Ca 0.26 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.49 3i4x h GLN 127 Cb -0.02 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3i4x h GLN 127 CO -0.05 0.42 -0.72 0.45 -1.93 0.00 0.00 178.83 177.00 3i4x h HIS 128 N 0.65 0.00 0.16 3.99 3.86 -1.20 -3.35 115.15 119.25 3i4x h HIS 128 Ca 0.49 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.36 3i4x h HIS 128 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3i4x h HIS 128 CO -0.08 0.72 -1.73 -0.07 0.86 0.00 0.00 177.93 177.63 3i4x h LEU 129 N 0.00 0.53 -0.83 2.43 3.38 -0.77 -3.39 115.31 116.66 3i4x h LEU 129 Ca -0.01 -0.82 0.21 0.00 0.09 0.00 0.00 57.88 57.35 3i4x h LEU 129 Cb 1.42 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 3i4x h LEU 129 CO 0.09 1.70 0.18 -0.07 0.09 0.00 0.00 178.44 180.43 3i4x h LEU 130 N 0.09 -0.07 -0.21 1.67 4.07 -0.62 0.40 115.31 120.65 3i4x h LEU 130 Ca -0.33 0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3i4x h LEU 130 Cb 2.07 0.27 0.00 0.00 1.08 0.00 0.00 40.66 44.09 3i4x h LEU 130 CO 0.16 -0.14 0.00 -2.65 -1.08 0.00 0.00 178.44 174.73 3i4x n PRO 131 N -5.24 0.06 0.13 1.13 -0.02 -1.26 -2.78 135.00 127.02 3i4x n PRO 131 Ca 0.19 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3i4x n PRO 131 Cb 0.60 -1.61 0.04 0.00 -0.02 0.00 0.00 33.50 32.52 3i4x n PRO 131 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i4x h LEU 132 N 0.00 0.00 -6.89 2.45 3.38 -1.16 -3.44 115.31 109.65 3i4x h LEU 132 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3i4x h LEU 132 Cb 0.27 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.62 3i4x h LEU 132 CO 0.00 0.08 -0.77 -0.70 0.09 0.00 0.00 178.44 177.14 3i4x s GLU 133 N -3.25 0.19 0.48 1.13 2.56 -1.12 -4.97 118.70 113.72 3i4x s GLU 133 Ca 0.02 -0.43 0.24 0.00 0.00 0.00 0.00 54.97 54.80 3i4x s GLU 133 Cb 0.08 -1.41 1.28 0.00 2.00 0.00 0.00 34.13 36.08 3i4x s GLU 133 CO 0.75 -0.91 1.89 1.57 -0.56 0.00 0.00 175.26 178.00 3i4x h LYS 134 N 8.39 0.19 0.00 4.30 2.10 -1.86 -2.28 116.57 127.41 3i4x h LYS 134 Ca -0.18 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 3i4x h LYS 134 Cb 1.05 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3i4x h LYS 134 CO 0.40 0.13 0.00 0.66 -2.00 0.00 0.00 179.45 178.63 3i4x h SER 135 N 0.20 0.00 -2.23 7.07 4.64 -1.93 -3.45 113.55 117.84 3i4x h SER 135 Ca 0.42 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.17 3i4x h SER 135 Cb 1.36 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.48 3i4x h SER 135 CO -0.09 0.00 1.05 -0.38 -0.87 0.00 0.00 176.83 176.54 3i4x n ILE 136 N -2.30 0.43 -4.95 0.95 5.41 -0.86 -4.16 119.36 113.87 3i4x n ILE 136 Ca 0.05 -0.08 -0.27 0.00 1.00 0.00 0.00 62.75 63.45 3i4x n ILE 136 Cb 0.38 -1.92 -0.16 0.00 -0.71 0.00 0.00 39.64 37.24 3i4x n ILE 136 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i4x s ASP 137 N 3.10 2.33 0.00 4.38 -1.08 -0.09 -4.90 116.67 120.40 3i4x s ASP 137 Ca 0.87 -0.37 0.12 0.00 -0.52 0.00 0.00 52.55 52.65 3i4x s ASP 137 Cb -0.61 -0.39 0.22 0.00 -1.46 0.00 0.00 42.92 40.68 3i4x s ASP 137 CO 0.44 0.22 1.09 0.18 0.52 0.00 0.00 175.17 177.61 3i4x n LEU 138 N 2.77 2.53 0.06 -1.34 4.77 -1.26 -3.60 117.00 120.92 3i4x n LEU 138 Ca -0.16 -1.51 -0.12 0.00 -0.03 0.00 0.00 56.01 54.19 3i4x n LEU 138 Cb 0.53 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3i4x n LEU 138 CO 0.24 0.57 0.64 -0.08 -1.33 0.00 0.00 177.39 177.43 3i4x h GLU 139 N 2.30 -0.46 -0.35 3.23 4.81 -1.96 0.20 114.58 122.35 3i4x h GLU 139 Ca 0.00 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3i4x h GLU 139 Cb 0.63 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3i4x h GLU 139 CO 0.00 -0.31 -0.33 -1.49 -0.73 0.00 0.00 179.01 176.16 3i4x h TRP 140 N -0.48 0.90 -0.51 0.92 4.06 -1.89 -2.74 115.95 116.22 3i4x h TRP 140 Ca 0.06 -0.24 0.09 0.00 2.06 0.00 0.00 58.89 60.86 3i4x h TRP 140 Cb 0.57 -0.20 -0.08 0.00 -1.00 0.00 0.00 29.16 28.45 3i4x h TRP 140 CO -0.35 0.99 0.06 0.35 -3.56 0.00 0.00 178.44 175.93 3i4x h PHE 141 N 0.65 0.08 -0.66 0.49 3.57 -1.64 -0.51 116.94 118.92 3i4x h PHE 141 Ca 0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3i4x h PHE 141 Cb 0.86 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3i4x h PHE 141 CO 0.05 -0.06 0.24 0.00 -2.23 0.00 0.00 178.31 176.31 3i4x h ARG 142 N 0.18 1.00 0.75 1.11 3.08 -0.50 0.72 114.38 120.72 3i4x h ARG 142 Ca 0.26 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3i4x h ARG 142 Cb 0.38 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.28 3i4x h ARG 142 CO -0.38 0.85 -0.36 1.25 -1.07 0.00 0.00 179.97 180.27 3i4x h HIS 143 N 0.94 -0.93 -0.54 3.04 2.76 -1.06 -1.25 115.15 118.11 3i4x h HIS 143 Ca 0.22 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 3i4x h HIS 143 Cb 0.24 0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 3i4x h HIS 143 CO 0.02 -0.57 0.18 0.74 -1.30 0.00 0.00 177.93 176.99 3i4x h PHE 144 N -1.02 0.82 -0.62 5.26 0.04 -1.00 -1.64 116.94 118.78 3i4x h PHE 144 Ca -0.10 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.53 3i4x h PHE 144 Cb 0.77 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3i4x h PHE 144 CO -0.02 0.66 0.09 -0.22 -0.60 0.00 0.00 178.31 178.23 3i4x h LYS 145 N 0.79 1.02 -0.30 1.51 1.63 -0.83 0.12 116.57 120.51 3i4x h LYS 145 Ca 0.18 -0.27 -0.08 0.00 -0.85 0.00 0.00 60.65 59.63 3i4x h LYS 145 Cb 0.22 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3i4x h LYS 145 CO -0.01 0.95 -0.14 1.25 -3.45 0.00 0.00 179.45 178.04 3i4x h HIS 146 N 0.96 0.72 0.00 1.91 2.76 -0.92 -2.59 115.15 117.99 3i4x h HIS 146 Ca 0.19 -0.18 -0.14 0.00 -2.20 0.00 0.00 60.37 58.04 3i4x h HIS 146 Cb 0.43 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3i4x h HIS 146 CO 0.03 0.86 -0.68 -0.44 -1.30 0.00 0.00 177.93 176.40 3i4x h ASP 147 N 0.38 0.00 0.00 3.26 3.32 -1.01 -3.38 116.42 118.98 3i4x h ASP 147 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i4x h ASP 147 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3i4x h ASP 147 CO 0.04 0.68 0.00 0.18 -1.72 0.00 0.00 179.24 178.42 3i4x n LEU 148 N -3.31 0.68 -4.45 1.55 4.77 0.39 -5.01 117.00 111.62 3i4x n LEU 148 Ca 0.01 -0.80 -0.23 0.00 -0.03 0.00 0.00 56.01 54.97 3i4x n LEU 148 Cb 0.79 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 3i4x n LEU 148 CO 0.43 0.17 -0.45 0.42 -1.33 0.00 0.00 177.39 176.63 3i4x s THR 149 N -0.23 2.21 0.27 -5.08 -4.23 -0.98 -3.76 115.64 103.84 3i4x s THR 149 Ca 0.00 -2.31 -0.30 0.00 -1.18 0.00 0.00 61.69 57.90 3i4x s THR 149 Cb 0.00 -2.30 -0.11 0.00 1.34 0.00 0.00 72.50 71.44 3i4x s THR 149 CO 0.00 -0.41 1.53 -0.76 -0.54 0.00 0.00 174.62 174.43 3i4x s LEU 150 N -3.47 4.36 0.00 4.79 1.43 -1.26 -4.83 118.68 119.70 3i4x s LEU 150 Ca 0.29 2.82 -0.11 0.00 -1.03 0.00 0.00 54.13 56.10 3i4x s LEU 150 Cb -0.02 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.76 3i4x s LEU 150 CO 0.13 -0.82 1.17 -0.46 0.23 0.00 0.00 176.35 176.60 3i4x n ASN 151 N 2.25 0.48 -0.26 2.29 0.23 -1.26 -4.85 115.26 114.14 3i4x n ASN 151 Ca 0.08 -1.66 -0.06 0.00 -0.53 0.00 0.00 54.58 52.41 3i4x n ASN 151 Cb 0.39 -0.86 0.07 0.00 -2.08 0.00 0.00 39.78 37.30 3i4x n ASN 151 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3i4x h SER 152 N -1.31 1.07 -0.01 0.53 0.02 -1.98 -0.69 113.55 111.18 3i4x h SER 152 Ca -0.38 -0.19 -0.25 0.00 -0.84 0.00 0.00 61.79 60.13 3i4x h SER 152 Cb 1.14 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 63.42 3i4x h SER 152 CO 0.30 0.98 -0.95 1.05 -1.14 0.00 0.00 176.83 177.07 3i4x h GLU 153 N 1.10 0.70 -0.92 3.45 4.11 -1.99 -1.65 114.58 119.38 3i4x h GLU 153 Ca 0.24 -0.69 0.02 0.00 0.07 0.00 0.00 59.36 59.00 3i4x h GLU 153 Cb 0.29 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3i4x h GLU 153 CO -0.01 1.28 0.61 0.93 0.07 0.00 0.00 179.01 181.89 3i4x h GLU 154 N 0.43 1.17 -0.26 1.06 5.08 -1.92 -0.97 114.58 119.16 3i4x h GLU 154 Ca -0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3i4x h GLU 154 Cb 1.60 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3i4x h GLU 154 CO 0.19 0.77 0.11 0.77 -1.00 0.00 0.00 179.01 179.85 3i4x h SER 155 N 1.20 0.35 -0.03 1.42 0.02 -1.00 0.11 113.55 115.63 3i4x h SER 155 Ca 0.35 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3i4x h SER 155 Cb -0.07 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3i4x h SER 155 CO -0.09 0.41 -0.34 0.00 -1.14 0.00 0.00 176.83 175.67 3i4x h ALA 156 N 0.96 0.98 -0.20 3.77 0.00 -0.96 0.19 119.26 124.00 3i4x h ALA 156 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3i4x h ALA 156 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i4x h ALA 156 CO -0.01 0.61 0.05 0.35 0.00 0.00 0.00 179.25 180.25 3i4x h PHE 157 N 0.43 0.34 -0.00 0.00 3.57 -0.90 -1.70 116.94 118.68 3i4x h PHE 157 Ca 0.05 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3i4x h PHE 157 Cb 0.80 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3i4x h PHE 157 CO 0.03 0.44 -0.58 1.25 -2.23 0.00 0.00 178.31 177.21 3i4x h LEU 158 N 0.14 0.00 -0.50 0.59 5.85 -0.55 -2.02 115.31 118.83 3i4x h LEU 158 Ca 0.06 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3i4x h LEU 158 Cb 0.27 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3i4x h LEU 158 CO 0.00 0.58 -0.11 0.00 -0.34 0.00 0.00 178.44 178.57 3i4x h ALA 159 N 1.42 0.69 -0.31 1.25 0.00 -0.38 -0.87 119.26 121.06 3i4x h ALA 159 Ca -0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3i4x h ALA 159 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i4x h ALA 159 CO 0.08 0.59 -0.23 1.25 0.00 0.00 0.00 179.25 180.94 3i4x h HIS 160 N 0.82 0.66 -0.93 0.00 -0.00 -1.21 -3.07 115.15 111.42 3i4x h HIS 160 Ca 0.13 -0.14 -0.57 0.00 -0.00 0.00 0.00 60.37 59.79 3i4x h HIS 160 Cb 0.67 -0.16 -0.29 0.00 -0.00 0.00 0.00 27.41 27.63 3i4x h HIS 160 CO 0.05 0.77 0.60 0.09 -0.00 0.00 0.00 177.93 179.43 3i4x n ASN 161 N -4.12 5.61 0.00 3.26 3.02 -0.77 -4.75 115.26 117.51 3i4x n ASN 161 Ca -0.00 -3.72 0.14 0.00 -0.03 0.00 0.00 54.58 50.96 3i4x n ASN 161 Cb 0.41 -0.85 0.77 0.00 -0.61 0.00 0.00 39.78 39.49 3i4x n ASN 161 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3i4x n ASP 162 N -1.01 0.00 -0.33 6.41 3.85 -0.36 -1.16 116.55 123.95 3i4x n ASP 162 Ca 0.58 -0.55 0.23 0.00 -0.71 0.00 0.00 54.79 54.34 3i4x n ASP 162 Cb 1.09 -0.12 0.50 0.00 -1.35 0.00 0.00 41.12 41.23 3i4x n ASP 162 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3i4x h ARG 163 N 0.00 0.40 -0.77 0.11 0.11 -1.85 -0.94 114.38 111.43 3i4x h ARG 163 Ca 0.00 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 60.11 3i4x h ARG 163 Cb 0.11 -0.09 -0.05 0.00 1.11 0.00 0.00 29.97 31.05 3i4x h ARG 163 CO 0.00 0.26 0.51 -0.07 0.10 0.00 0.00 179.97 180.77 3i4x h LEU 164 N 0.41 0.76 -0.20 0.08 3.38 -1.50 -3.16 115.31 115.09 3i4x h LEU 164 Ca 0.61 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3i4x h LEU 164 Cb 1.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3i4x h LEU 164 CO -0.33 0.51 -0.51 1.33 0.09 0.00 0.00 178.44 179.52 3i4x n VAL 165 N -4.47 0.00 0.00 1.22 0.24 -0.78 -5.03 118.33 109.51 3i4x n VAL 165 Ca 0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3i4x n VAL 165 Cb 0.18 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 3i4x n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4x n GLY 166 N 1.23 2.97 1.30 7.63 0.00 -0.43 -0.59 105.19 117.29 3i4x n GLY 166 Ca 0.03 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.29 3i4x n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4x n GLY 167 N 0.00 2.42 3.73 -0.02 0.00 -1.26 -4.97 105.19 105.09 3i4x n GLY 167 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3i4x n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4x s THR 168 N -1.92 2.11 0.19 2.61 2.01 0.24 -4.87 115.64 116.01 3i4x s THR 168 Ca 0.29 0.09 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 3i4x s THR 168 Cb 0.23 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.58 3i4x s THR 168 CO 0.08 0.01 1.51 -0.63 -0.69 0.00 0.00 174.62 174.90 3i4x s ILE 169 N 0.82 2.71 -1.37 1.82 -1.09 -1.26 -4.91 121.20 117.92 3i4x s ILE 169 Ca 0.71 0.54 0.22 0.00 -2.23 0.00 0.00 60.65 59.89 3i4x s ILE 169 Cb -0.48 -3.34 -0.09 0.00 -1.58 0.00 0.00 42.46 36.96 3i4x s ILE 169 CO 0.37 0.06 1.08 0.54 -1.23 0.00 0.00 174.94 175.75 3i4x n ARG 170 N 3.42 0.43 -1.32 2.79 1.74 -1.26 -4.96 116.66 117.49 3i4x n ARG 170 Ca 0.11 -0.34 -0.52 0.00 -0.77 0.00 0.00 57.85 56.34 3i4x n ARG 170 Cb 0.39 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.27 3i4x n ARG 170 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i4x n THR 171 N -0.99 0.00 -0.06 0.55 -1.04 -1.26 -4.81 114.28 106.67 3i4x n THR 171 Ca 0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 3i4x n THR 171 Cb 0.37 -0.29 -0.13 0.00 -1.82 0.00 0.00 70.33 68.47 3i4x n THR 171 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4x n GLN 172 N 2.63 0.68 -3.52 -2.82 1.13 -1.26 -4.63 117.38 109.59 3i4x n GLN 172 Ca 0.22 0.32 -0.13 0.00 -1.94 0.00 0.00 57.00 55.46 3i4x n GLN 172 Cb -0.02 -1.66 -0.04 0.00 0.11 0.00 0.00 30.24 28.63 3i4x n GLN 172 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3i4x s ASN 173 N -6.95 -0.50 0.14 1.08 6.03 -1.26 -0.74 114.94 112.74 3i4x s ASN 173 Ca -0.28 0.13 -0.00 0.00 -1.03 0.00 0.00 52.86 51.68 3i4x s ASN 173 Cb 0.08 0.54 -0.04 0.00 -3.03 0.00 0.00 41.25 38.79 3i4x s ASN 173 CO 0.67 -0.81 0.04 -0.54 -2.03 0.00 0.00 177.10 174.43 3i4x s LYS 174 N -2.90 0.98 0.13 3.55 1.02 -0.19 -4.47 119.74 117.86 3i4x s LYS 174 Ca -0.03 -1.47 0.07 0.00 0.02 0.00 0.00 55.97 54.56 3i4x s LYS 174 Cb -0.00 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 3i4x s LYS 174 CO -0.05 -0.22 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.48 3i4x s LEU 175 N -3.09 2.39 0.03 3.17 1.43 0.10 -1.48 118.68 121.23 3i4x s LEU 175 Ca 0.24 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3i4x s LEU 175 Cb 0.07 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3i4x s LEU 175 CO 0.02 -0.07 -0.03 0.00 0.23 0.00 0.00 176.35 176.50 3i4x s ALA 176 N -1.88 0.24 -0.08 4.21 0.00 0.07 -0.56 121.76 123.77 3i4x s ALA 176 Ca 0.10 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.37 3i4x s ALA 176 Cb -0.06 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 3i4x s ALA 176 CO 0.04 -0.19 -0.22 -0.51 0.00 0.00 0.00 175.76 174.88 3i4x s LEU 177 N -1.78 2.02 -0.25 0.00 1.02 0.29 -0.74 118.68 119.24 3i4x s LEU 177 Ca -0.11 -0.49 -0.12 0.00 0.02 0.00 0.00 54.13 53.43 3i4x s LEU 177 Cb -0.06 -1.28 -0.05 0.00 0.02 0.00 0.00 46.19 44.82 3i4x s LEU 177 CO -0.03 0.17 0.23 -1.81 0.02 0.00 0.00 176.35 174.93 3i4x s ASP 178 N 0.18 6.16 -0.43 2.29 1.01 -0.17 -1.74 116.67 123.97 3i4x s ASP 178 Ca -0.12 0.17 -0.16 0.00 0.71 0.00 0.00 52.55 53.15 3i4x s ASP 178 Cb -0.16 -2.14 0.03 0.00 1.01 0.00 0.00 42.92 41.67 3i4x s ASP 178 CO 0.06 -0.01 0.36 -0.76 0.21 0.00 0.00 175.17 175.03 3i4x s LEU 179 N 1.37 5.17 -0.11 1.23 1.43 -0.66 -1.82 118.68 125.29 3i4x s LEU 179 Ca 0.10 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3i4x s LEU 179 Cb -0.14 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.89 3i4x s LEU 179 CO 0.07 -0.54 0.28 -1.59 0.23 0.00 0.00 176.35 174.80 3i4x s LYS 180 N 1.81 0.29 -0.80 1.70 -2.85 -0.80 -4.28 119.74 114.80 3i4x s LYS 180 Ca 0.07 0.47 -0.01 0.00 -1.00 0.00 0.00 55.97 55.49 3i4x s LYS 180 Cb -0.20 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.62 3i4x s LYS 180 CO 0.10 -0.09 0.16 -0.25 0.10 0.00 0.00 175.35 175.38 3i4x n ASP 181 N 3.48 -3.59 0.00 0.03 8.00 -1.26 -1.17 116.55 122.05 3i4x n ASP 181 Ca -0.18 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3i4x n ASP 181 Cb 0.56 -2.64 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 3i4x n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4x n GLY 182 N -1.07 0.23 2.45 0.44 0.00 -1.26 -4.96 105.19 101.02 3i4x n GLY 182 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 3i4x n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4x n ARG 183 N -0.86 0.79 -3.91 1.61 1.74 -0.32 -5.10 116.66 110.61 3i4x n ARG 183 Ca 0.00 -2.51 -0.10 0.00 -0.77 0.00 0.00 57.85 54.47 3i4x n ARG 183 Cb 0.27 1.20 -0.10 0.00 -1.02 0.00 0.00 32.46 32.81 3i4x n ARG 183 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3i4x s PHE 184 N -2.57 0.15 -0.09 -1.55 -0.12 -1.26 -1.91 117.98 110.63 3i4x s PHE 184 Ca 0.11 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3i4x s PHE 184 Cb 0.01 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 3i4x s PHE 184 CO 0.08 -0.33 -0.05 0.00 -0.05 0.00 0.00 175.22 174.87 3i4x s ALA 185 N -2.12 3.03 -0.10 1.99 0.00 -0.76 -4.94 121.76 118.86 3i4x s ALA 185 Ca -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3i4x s ALA 185 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3i4x s ALA 185 CO -0.02 0.49 0.10 -1.17 0.00 0.00 0.00 175.76 175.15 3i4x s LEU 186 N -0.53 4.14 0.10 0.00 2.96 -1.26 -1.00 118.68 123.09 3i4x s LEU 186 Ca 0.08 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 3i4x s LEU 186 Cb -0.12 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3i4x s LEU 186 CO 0.02 0.39 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.79 3i4x s LYS 187 N -1.03 0.90 0.17 1.98 1.02 0.09 -0.21 119.74 122.66 3i4x s LYS 187 Ca 0.15 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 55.06 3i4x s LYS 187 Cb -0.12 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 3i4x s LYS 187 CO 0.04 0.12 -0.18 -0.08 -0.92 0.00 0.00 175.35 174.34 3i4x s THR 188 N -2.21 1.81 -0.05 2.17 -1.32 -0.45 -0.75 115.64 114.85 3i4x s THR 188 Ca 0.06 -1.97 0.03 0.00 -1.21 0.00 0.00 61.69 58.60 3i4x s THR 188 Cb -0.04 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 3i4x s THR 188 CO 0.01 -0.36 -0.14 -0.31 -2.21 0.00 0.00 174.62 171.61 3i4x s TYR 189 N -2.21 1.50 -0.06 9.09 2.02 -0.55 -2.48 117.35 124.66 3i4x s TYR 189 Ca 0.17 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 3i4x s TYR 189 Cb -0.05 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3i4x s TYR 189 CO 0.07 -0.21 -0.16 0.42 -1.57 0.00 0.00 175.55 174.10 3i4x s ILE 190 N 0.33 1.38 -0.47 2.71 1.01 0.10 -1.02 121.20 125.23 3i4x s ILE 190 Ca -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3i4x s ILE 190 Cb -0.13 -1.22 0.13 0.00 0.01 0.00 0.00 42.46 41.25 3i4x s ILE 190 CO 0.03 0.41 0.26 -0.31 0.00 0.00 0.00 174.94 175.33 3i4x s TYR 191 N 0.38 3.52 -2.00 3.97 2.02 0.08 -1.61 117.35 123.71 3i4x s TYR 191 Ca -0.11 -2.62 0.14 0.00 -0.37 0.00 0.00 57.07 54.11 3i4x s TYR 191 Cb -0.14 -3.16 0.86 0.00 -0.40 0.00 0.00 41.96 39.12 3i4x s TYR 191 CO 0.04 -0.91 1.50 -2.30 -1.57 0.00 0.00 175.55 172.30 3i4x n PRO 192 N 4.12 0.93 -0.20 -1.71 -0.02 -1.25 -4.32 135.00 132.55 3i4x n PRO 192 Ca 0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3i4x n PRO 192 Cb 0.40 -1.24 0.07 0.00 -0.02 0.00 0.00 33.50 32.71 3i4x n PRO 192 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i4x h ALA 193 N 3.34 0.48 0.00 3.55 0.00 -1.86 0.55 119.26 125.32 3i4x h ALA 193 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3i4x h ALA 193 Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3i4x h ALA 193 CO 0.00 -0.42 -0.93 -0.07 0.00 0.00 0.00 179.25 177.83 3i4x h LEU 194 N 0.05 0.01 -1.13 0.00 3.38 -1.93 -1.70 115.31 113.98 3i4x h LEU 194 Ca 0.30 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.27 3i4x h LEU 194 Cb 0.47 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3i4x h LEU 194 CO -0.57 0.94 0.59 0.50 0.09 0.00 0.00 178.44 179.99 3i4x h LYS 195 N 0.00 1.15 -0.48 1.13 1.63 -1.60 -1.20 116.57 117.21 3i4x h LYS 195 Ca -0.01 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 3i4x h LYS 195 Cb 1.65 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 33.00 3i4x h LYS 195 CO 0.12 0.76 0.11 0.00 -3.45 0.00 0.00 179.45 177.00 3i4x h ALA 196 N 1.45 0.63 0.01 5.00 0.00 0.56 -1.13 119.26 125.78 3i4x h ALA 196 Ca 0.33 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i4x h ALA 196 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3i4x h ALA 196 CO -0.08 0.32 -0.11 0.28 0.00 0.00 0.00 179.25 179.66 3i4x h VAL 197 N 0.65 0.72 -0.00 0.00 2.07 -0.53 -0.18 116.25 118.98 3i4x h VAL 197 Ca 0.15 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 3i4x h VAL 197 Cb 0.33 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3i4x h VAL 197 CO 0.00 0.00 -0.65 -0.37 0.02 0.00 0.00 177.57 176.58 3i4x h VAL 198 N -0.19 1.46 0.00 2.57 -1.51 -1.19 -3.06 116.25 114.33 3i4x h VAL 198 Ca 0.04 -2.21 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 3i4x h VAL 198 Cb 0.24 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3i4x h VAL 198 CO -0.11 0.63 -0.53 0.71 -1.23 0.00 0.00 177.57 177.05 3i4x h THR 199 N 0.01 0.00 -0.28 7.19 1.35 -1.00 -3.47 112.91 116.71 3i4x h THR 199 Ca -0.01 -0.52 -0.12 0.00 -0.55 0.00 0.00 66.41 65.21 3i4x h THR 199 Cb 1.15 1.17 -0.05 0.00 -1.73 0.00 0.00 68.15 68.69 3i4x h THR 199 CO 0.08 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 175.85 3i4x n GLY 200 N 1.32 0.82 3.97 5.82 0.00 -0.10 -5.03 105.19 111.99 3i4x n GLY 200 Ca 0.04 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 3i4x n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4x s LYS 201 N -2.20 3.08 0.41 1.61 1.02 -1.08 -5.04 119.74 117.55 3i4x s LYS 201 Ca 0.00 -1.04 -0.08 0.00 0.02 0.00 0.00 55.97 54.87 3i4x s LYS 201 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 3i4x s LYS 201 CO 0.00 0.09 0.75 0.95 -0.92 0.00 0.00 175.35 176.22 3i4x s THR 202 N -2.18 4.86 0.29 2.17 -4.23 -1.26 -4.49 115.64 110.79 3i4x s THR 202 Ca 0.44 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 61.38 3i4x s THR 202 Cb -0.09 -3.77 0.29 0.00 1.34 0.00 0.00 72.50 70.26 3i4x s THR 202 CO 0.30 -0.60 1.82 0.40 -0.54 0.00 0.00 174.62 176.00 3i4x h ILE 203 N 0.85 0.87 -0.11 2.99 2.04 -1.90 -1.05 117.51 121.20 3i4x h ILE 203 Ca -0.47 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3i4x h ILE 203 Cb 1.19 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3i4x h ILE 203 CO 0.63 0.17 -0.00 -0.74 0.00 0.00 0.00 178.15 178.21 3i4x h HIS 204 N 0.93 -0.01 -0.48 1.37 2.76 -1.93 0.84 115.15 118.62 3i4x h HIS 204 Ca 0.52 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.67 3i4x h HIS 204 Cb 0.59 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 3i4x h HIS 204 CO -0.01 -0.02 0.19 0.93 -1.30 0.00 0.00 177.93 177.73 3i4x h GLU 205 N 0.03 0.73 0.01 5.26 5.08 -1.79 0.19 114.58 124.09 3i4x h GLU 205 Ca 0.05 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3i4x h GLU 205 Cb 0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3i4x h GLU 205 CO -0.09 0.65 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.34 3i4x h LEU 206 N 0.64 -0.47 0.11 1.33 3.38 -0.98 0.26 115.31 119.57 3i4x h LEU 206 Ca 0.16 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3i4x h LEU 206 Cb 0.20 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3i4x h LEU 206 CO -0.01 -0.23 -0.05 0.58 0.09 0.00 0.00 178.44 178.82 3i4x h VAL 207 N -0.27 1.09 -0.26 1.22 2.07 -0.66 -0.73 116.25 118.71 3i4x h VAL 207 Ca 0.05 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 3i4x h VAL 207 Cb 0.34 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3i4x h VAL 207 CO -0.15 0.20 -0.30 -0.26 0.02 0.00 0.00 177.57 177.07 3i4x h PHE 208 N -0.53 0.62 -0.32 1.57 0.04 -1.01 -1.35 116.94 115.95 3i4x h PHE 208 Ca -0.01 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 3i4x h PHE 208 Cb 0.43 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3i4x h PHE 208 CO 0.05 0.79 0.17 0.78 -0.60 0.00 0.00 178.31 179.50 3i4x h GLY 209 N 1.04 0.48 0.98 -1.45 0.00 -0.39 -0.40 103.07 103.32 3i4x h GLY 209 Ca 0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3i4x h GLY 209 CO 0.06 0.21 0.12 0.23 0.00 0.00 0.00 176.54 177.16 3i4x h SER 210 N 0.40 0.77 -0.42 0.19 0.87 -0.92 -0.47 113.55 113.96 3i4x h SER 210 Ca 0.11 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 3i4x h SER 210 Cb 0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3i4x h SER 210 CO -0.02 0.81 -0.01 0.58 -0.53 0.00 0.00 176.83 177.67 3i4x h VAL 211 N 0.70 1.26 -0.62 2.23 2.07 -1.15 -1.28 116.25 119.46 3i4x h VAL 211 Ca 0.16 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3i4x h VAL 211 Cb 0.34 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3i4x h VAL 211 CO 0.00 0.35 0.31 0.03 0.02 0.00 0.00 177.57 178.29 3i4x h ARG 212 N 0.58 0.56 -0.67 1.57 3.08 -0.94 0.17 114.38 118.73 3i4x h ARG 212 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3i4x h ARG 212 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3i4x h ARG 212 CO 0.02 0.37 0.41 0.00 -1.07 0.00 0.00 179.97 179.70 3i4x h ARG 213 N 0.57 0.90 -0.26 0.04 3.08 -0.98 -2.02 114.38 115.72 3i4x h ARG 213 Ca 0.29 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 3i4x h ARG 213 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3i4x h ARG 213 CO -0.21 0.63 -0.04 1.25 -1.07 0.00 0.00 179.97 180.53 3i4x h LEU 214 N 0.91 0.37 -0.84 3.04 5.85 -0.36 -2.38 115.31 121.90 3i4x h LEU 214 Ca 0.24 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3i4x h LEU 214 Cb -0.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3i4x h LEU 214 CO -0.05 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.52 3i4x n ALA 215 N -2.48 1.55 -0.30 1.25 0.00 0.52 -1.01 120.51 120.04 3i4x n ALA 215 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 3i4x n ALA 215 Cb 0.24 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.39 3i4x n ALA 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i4x h VAL 216 N 0.00 1.23 0.00 0.00 2.07 -1.23 -2.22 116.25 116.09 3i4x h VAL 216 Ca 0.00 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3i4x h VAL 216 Cb 0.30 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3i4x h VAL 216 CO 0.00 0.24 -1.48 0.54 0.02 0.00 0.00 177.57 176.89 3i4x n ARG 217 N -4.46 0.63 -3.59 1.57 1.74 -0.50 -4.54 116.66 107.51 3i4x n ARG 217 Ca 0.08 0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.92 3i4x n ARG 217 Cb 0.06 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 29.69 3i4x n ARG 217 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i4x n GLU 218 N -2.59 1.71 0.24 5.56 -0.58 -0.18 -4.96 120.64 119.84 3i4x n GLU 218 Ca -0.05 -4.23 0.16 0.00 -0.42 0.00 0.00 57.16 52.62 3i4x n GLU 218 Cb 0.65 -2.07 0.85 0.00 -0.57 0.00 0.00 31.44 30.29 3i4x n GLU 218 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i4x h PRO 219 N 4.86 0.00 0.00 3.49 0.11 -1.64 -2.68 132.00 136.14 3i4x h PRO 219 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3i4x h PRO 219 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3i4x h PRO 219 CO 0.68 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.01 3i4x n ARG 220 N -2.60 0.16 0.00 1.05 1.74 -1.26 -2.03 116.66 113.71 3i4x n ARG 220 Ca -0.02 0.29 0.13 0.00 -0.77 0.00 0.00 57.85 57.48 3i4x n ARG 220 Cb 0.06 -1.75 0.35 0.00 -1.02 0.00 0.00 32.46 30.10 3i4x n ARG 220 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i4x n ILE 221 N -2.04 0.00 -0.01 0.55 -5.35 -1.01 -4.32 119.36 107.18 3i4x n ILE 221 Ca 0.04 -0.01 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 3i4x n ILE 221 Cb 0.29 0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.17 3i4x n ILE 221 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3i4x h LEU 222 N 0.06 0.08 -0.47 7.28 5.85 -1.59 -2.14 115.31 124.37 3i4x h LEU 222 Ca 0.00 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3i4x h LEU 222 Cb 0.50 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3i4x h LEU 222 CO 0.00 0.32 0.25 -0.65 -0.34 0.00 0.00 178.44 178.02 3i4x h PRO 223 N -0.17 0.49 -0.03 5.25 0.11 -1.77 0.21 132.00 136.10 3i4x h PRO 223 Ca 0.01 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3i4x h PRO 223 Cb 0.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3i4x h PRO 223 CO 0.00 0.32 -0.50 -1.00 -0.21 0.00 0.00 178.00 176.61 3i4x h PRO 224 N 0.50 0.08 -0.48 1.05 0.13 -1.52 -1.94 132.00 129.81 3i4x h PRO 224 Ca 0.20 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 3i4x h PRO 224 Cb 0.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 3i4x h PRO 224 CO -0.12 0.57 0.23 1.25 -0.23 0.00 0.00 178.00 179.69 3i4x h LEU 225 N 0.06 0.64 -0.38 1.56 5.85 -0.66 -0.56 115.31 121.82 3i4x h LEU 225 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3i4x h LEU 225 Cb 0.92 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3i4x h LEU 225 CO 0.07 0.59 0.25 0.78 -0.34 0.00 0.00 178.44 179.79 3i4x h ASN 226 N 0.64 0.44 -0.44 1.25 2.35 -0.38 -0.54 115.58 118.89 3i4x h ASN 226 Ca 0.17 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3i4x h ASN 226 Cb 0.13 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3i4x h ASN 226 CO -0.02 0.32 0.24 -0.03 -1.65 0.00 0.00 177.43 176.29 3i4x h MET 227 N 0.51 0.61 -0.11 0.81 4.05 -1.10 -0.98 114.93 118.73 3i4x h MET 227 Ca 0.14 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3i4x h MET 227 Cb -0.06 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.58 3i4x h MET 227 CO -0.03 0.49 -0.17 1.25 0.23 0.00 0.00 176.91 178.68 3i4x h LEU 228 N 0.58 -0.52 -1.11 3.39 5.85 -0.86 0.17 115.31 122.81 3i4x h LEU 228 Ca 0.15 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3i4x h LEU 228 Cb 0.05 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3i4x h LEU 228 CO -0.03 -0.22 0.13 -0.08 -0.34 0.00 0.00 178.44 177.90 3i4x h GLU 229 N -0.22 0.76 -0.18 1.25 4.81 -0.87 -0.65 114.58 119.48 3i4x h GLU 229 Ca 0.09 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3i4x h GLU 229 Cb 0.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3i4x h GLU 229 CO -0.24 0.68 0.11 1.49 -0.73 0.00 0.00 179.01 180.33 3i4x h GLU 230 N 0.74 0.24 -0.22 1.92 4.81 -0.90 -0.07 114.58 121.10 3i4x h GLU 230 Ca 0.17 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3i4x h GLU 230 Cb 0.27 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3i4x h GLU 230 CO -0.00 0.19 0.03 -0.92 -0.73 0.00 0.00 179.01 177.57 3i4x h TYR 231 N 0.23 0.04 -0.12 0.92 3.20 -0.57 -0.79 116.97 119.88 3i4x h TYR 231 Ca 0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3i4x h TYR 231 Cb 0.00 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3i4x h TYR 231 CO -0.06 0.00 0.07 0.82 -1.64 0.00 0.00 178.16 177.36 3i4x h ILE 232 N 0.11 1.07 -0.58 1.81 2.04 -0.92 -2.63 117.51 118.40 3i4x h ILE 232 Ca 0.10 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i4x h ILE 232 Cb 0.11 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3i4x h ILE 232 CO -0.15 0.06 0.37 0.03 0.00 0.00 0.00 178.15 178.47 3i4x h ARG 233 N 0.12 0.78 0.00 2.37 3.08 -0.89 -1.22 114.38 118.62 3i4x h ARG 233 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i4x h ARG 233 Cb 0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3i4x h ARG 233 CO -0.01 0.53 -0.00 0.66 -1.07 0.00 0.00 179.97 180.08 3i4x h SER 234 N 0.80 0.00 0.99 7.04 4.64 -0.76 -1.94 113.55 124.32 3i4x h SER 234 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3i4x h SER 234 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3i4x h SER 234 CO -0.04 0.00 -0.30 0.54 -0.87 0.00 0.00 176.83 176.16 3i4x n ARG 235 N -3.10 0.17 0.00 4.77 1.74 -0.46 -5.02 116.66 114.75 3i4x n ARG 235 Ca -0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3i4x n ARG 235 Cb 0.14 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3i4x n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4x n GLY 236 N 1.39 -3.14 0.01 -0.13 0.00 -0.73 -3.83 105.19 98.77 3i4x n GLY 236 Ca 0.05 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.43 3i4x n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4x n SER 237 N -0.55 0.13 -1.20 1.61 3.41 -1.26 -2.57 113.62 113.19 3i4x n SER 237 Ca 0.00 0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.80 3i4x n SER 237 Cb 0.00 -0.31 0.25 0.00 -0.26 0.00 0.00 64.21 63.90 3i4x n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i4x n LYS 238 N -1.41 2.75 -1.69 4.33 5.02 -1.26 -5.02 118.16 120.88 3i4x n LYS 238 Ca 0.09 -2.99 -0.42 0.00 -2.02 0.00 0.00 58.31 52.97 3i4x n LYS 238 Cb 0.32 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3i4x n LYS 238 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i4x n SER 239 N -0.63 2.42 -0.00 4.39 2.88 -1.06 -4.88 113.62 116.73 3i4x n SER 239 Ca 0.29 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 59.11 3i4x n SER 239 Cb 1.04 -1.47 0.61 0.00 -0.75 0.00 0.00 64.21 63.64 3i4x n SER 239 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3i4x n THR 240 N -0.04 0.00 -4.18 2.46 -2.24 -1.26 -4.80 114.28 104.21 3i4x n THR 240 Ca 0.06 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 3i4x n THR 240 Cb 0.38 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 3i4x n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4x s ALA 241 N -2.95 3.51 -0.05 6.98 0.00 -1.26 -1.48 121.76 126.52 3i4x s ALA 241 Ca 0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 3i4x s ALA 241 Cb 0.19 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3i4x s ALA 241 CO 0.53 0.61 0.17 -1.54 0.00 0.00 0.00 175.76 175.53 3i4x s SER 242 N -0.98 -0.13 0.32 0.00 1.04 -0.36 -4.95 113.70 108.64 3i4x s SER 242 Ca 0.14 0.21 -0.29 0.00 0.48 0.00 0.00 55.95 56.50 3i4x s SER 242 Cb -0.12 0.33 -0.11 0.00 0.10 0.00 0.00 66.02 66.23 3i4x s SER 242 CO 0.04 -0.15 1.44 -2.84 0.98 0.00 0.00 173.24 172.71 3i4x s PRO 243 N -0.32 4.21 0.00 4.02 0.02 -1.26 -0.75 135.00 140.92 3i4x s PRO 243 Ca -0.04 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3i4x s PRO 243 Cb -0.03 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3i4x s PRO 243 CO 0.01 -0.43 0.00 -2.13 -0.33 0.00 0.00 177.00 174.12 3i4x n ARG 244 N 1.24 0.38 -3.87 5.54 0.63 0.03 -4.77 116.66 115.85 3i4x n ARG 244 Ca 0.03 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.88 3i4x n ARG 244 Cb 0.40 -0.89 -0.03 0.00 0.45 0.00 0.00 32.46 32.39 3i4x n ARG 244 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 3i4x s LEU 245 N -4.43 -0.13 0.02 6.15 2.34 -1.23 -4.24 118.68 117.17 3i4x s LEU 245 Ca 0.00 -0.65 0.02 0.00 0.06 0.00 0.00 54.13 53.57 3i4x s LEU 245 Cb 0.00 2.49 -0.02 0.00 -0.56 0.00 0.00 46.19 48.10 3i4x s LEU 245 CO 0.00 -1.28 -0.08 0.54 -1.06 0.00 0.00 176.35 174.48 3i4x s VAL 246 N -3.93 0.56 0.11 1.48 0.11 -0.63 -1.21 120.40 116.88 3i4x s VAL 246 Ca 0.13 -0.76 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 3i4x s VAL 246 Cb -0.04 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3i4x s VAL 246 CO 0.06 -0.15 -0.18 -0.55 -3.33 0.00 0.00 175.10 170.95 3i4x s SER 247 N -0.99 2.27 0.07 3.54 0.15 0.15 0.03 113.70 118.91 3i4x s SER 247 Ca -0.04 -0.71 -0.09 0.00 0.70 0.00 0.00 55.95 55.81 3i4x s SER 247 Cb -0.07 -0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 3i4x s SER 247 CO 0.00 -0.02 0.19 0.00 1.20 0.00 0.00 173.24 174.61 3i4x s ASP 249 N -2.61 7.50 -1.17 0.00 1.01 -0.97 -1.34 116.67 119.10 3i4x s ASP 249 Ca 0.02 1.98 -0.05 0.00 0.71 0.00 0.00 52.55 55.21 3i4x s ASP 249 Cb 0.03 -2.61 0.24 0.00 1.01 0.00 0.00 42.92 41.59 3i4x s ASP 249 CO -0.09 0.05 1.87 0.18 0.21 0.00 0.00 175.17 177.39 3i4x n LEU 250 N 1.22 7.10 0.00 1.23 4.32 0.70 -4.76 117.00 126.82 3i4x n LEU 250 Ca -0.01 -5.07 -0.10 0.00 -0.02 0.00 0.00 56.01 50.82 3i4x n LEU 250 Cb 0.47 -1.31 -0.03 0.00 -1.62 0.00 0.00 43.42 40.93 3i4x n LEU 250 CO 0.49 1.81 -0.06 0.35 -1.22 0.00 0.00 177.39 178.76 3i4x n THR 251 N 1.48 0.00 -1.70 -5.08 -2.24 -1.24 -0.92 114.28 104.59 3i4x n THR 251 Ca 0.43 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 3i4x n THR 251 Cb 0.30 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3i4x n THR 251 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i4x n SER 252 N -2.13 2.67 -0.30 3.42 3.41 -1.26 -4.50 113.62 114.94 3i4x n SER 252 Ca 0.00 1.18 0.10 0.00 -0.26 0.00 0.00 58.87 59.89 3i4x n SER 252 Cb 0.27 -1.49 0.27 0.00 -0.26 0.00 0.00 64.21 63.00 3i4x n SER 252 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3i4x h PRO 253 N 2.40 0.47 -0.20 4.33 0.11 -1.94 0.26 132.00 137.43 3i4x h PRO 253 Ca -0.47 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.68 3i4x h PRO 253 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3i4x h PRO 253 CO 0.62 0.31 0.16 0.00 -0.21 0.00 0.00 178.00 178.88 3i4x h ALA 254 N 1.64 2.07 -0.01 -0.75 0.00 -2.03 -1.76 119.26 118.42 3i4x h ALA 254 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3i4x h ALA 254 Cb 0.87 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i4x h ALA 254 CO -0.46 -0.27 -0.34 1.63 0.00 0.00 0.00 179.25 179.81 3i4x n LYS 255 N -4.27 1.64 -3.29 0.00 5.02 0.81 -4.97 118.16 113.11 3i4x n LYS 255 Ca 0.02 -0.83 -0.38 0.00 -2.02 0.00 0.00 58.31 55.10 3i4x n LYS 255 Cb 0.30 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 3i4x n LYS 255 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i4x s SER 256 N -1.93 6.93 0.16 4.39 0.15 -0.50 -4.97 113.70 117.93 3i4x s SER 256 Ca 0.14 1.10 -0.18 0.00 0.70 0.00 0.00 55.95 57.71 3i4x s SER 256 Cb 0.13 -2.33 -0.07 0.00 -1.71 0.00 0.00 66.02 62.04 3i4x s SER 256 CO 0.41 0.17 0.63 -0.13 1.20 0.00 0.00 173.24 175.52 3i4x s ARG 257 N -0.46 4.16 -0.14 5.44 0.52 -1.26 -4.88 118.95 122.33 3i4x s ARG 257 Ca 0.28 0.72 -0.04 0.00 -0.52 0.00 0.00 55.73 56.17 3i4x s ARG 257 Cb -0.18 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 3i4x s ARG 257 CO 0.16 0.49 0.01 0.42 0.02 0.00 0.00 175.30 176.40 3i4x s ILE 258 N -1.39 4.37 -0.09 1.52 1.01 -1.26 -2.29 121.20 123.06 3i4x s ILE 258 Ca 0.38 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.85 3i4x s ILE 258 Cb -0.17 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.41 3i4x s ILE 258 CO 0.20 0.52 -0.15 -0.54 0.00 0.00 0.00 174.94 174.98 3i4x s LYS 259 N -0.07 2.11 -0.20 2.79 1.02 0.13 -1.14 119.74 124.38 3i4x s LYS 259 Ca 0.04 -0.53 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 3i4x s LYS 259 Cb -0.13 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 3i4x s LYS 259 CO 0.02 -0.02 -0.01 0.42 -0.92 0.00 0.00 175.35 174.84 3i4x s ILE 260 N 0.84 3.81 -0.16 2.17 1.01 -0.62 -0.68 121.20 127.58 3i4x s ILE 260 Ca -0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 3i4x s ILE 260 Cb -0.15 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3i4x s ILE 260 CO 0.01 0.43 0.07 -0.31 0.00 0.00 0.00 174.94 175.14 3i4x s TYR 261 N 1.05 3.29 -0.12 3.97 1.51 -0.35 -0.11 117.35 126.59 3i4x s TYR 261 Ca 0.02 0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 56.22 3i4x s TYR 261 Cb -0.14 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 3i4x s TYR 261 CO 0.01 0.28 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.15 3i4x s LEU 262 N 0.04 3.10 0.03 -1.29 1.43 0.76 -0.79 118.68 121.96 3i4x s LEU 262 Ca 0.06 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3i4x s LEU 262 Cb -0.12 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3i4x s LEU 262 CO 0.01 0.23 0.98 -0.22 0.23 0.00 0.00 176.35 177.58 3i4x s LEU 263 N -0.03 4.40 -0.31 1.79 2.96 0.07 -1.46 118.68 126.11 3i4x s LEU 263 Ca -0.00 1.70 0.03 0.00 -0.22 0.00 0.00 54.13 55.64 3i4x s LEU 263 Cb -0.13 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.06 3i4x s LEU 263 CO 0.03 -0.21 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.14 3i4x s GLU 264 N 0.76 1.84 0.33 1.98 2.56 0.37 -1.22 118.70 125.33 3i4x s GLU 264 Ca 0.51 -1.64 0.26 0.00 0.00 0.00 0.00 54.97 54.10 3i4x s GLU 264 Cb -0.22 -3.10 0.85 0.00 2.00 0.00 0.00 34.13 33.67 3i4x s GLU 264 CO 0.28 -0.78 1.76 1.96 -0.56 0.00 0.00 175.26 177.92 3i4x h GLN 265 N 7.71 0.00 -5.78 4.30 4.20 -1.51 0.21 115.11 124.25 3i4x h GLN 265 Ca -0.11 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.98 3i4x h GLN 265 Cb 1.03 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.68 3i4x h GLN 265 CO 0.50 0.00 0.43 1.41 -0.67 0.00 0.00 178.83 180.50 3i4x s MET 266 N -3.28 3.37 -0.67 1.46 1.75 -1.26 0.01 119.30 120.67 3i4x s MET 266 Ca 0.07 -0.20 -0.23 0.00 -1.25 0.00 0.00 55.69 54.07 3i4x s MET 266 Cb 0.09 -3.99 0.06 0.00 2.84 0.00 0.00 34.83 33.84 3i4x s MET 266 CO 0.55 -1.27 1.01 0.08 -0.65 0.00 0.00 175.02 174.74 3i4x s VAL 267 N 3.52 4.24 0.06 10.11 1.01 -0.54 -4.75 120.40 134.03 3i4x s VAL 267 Ca 0.29 -0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 3i4x s VAL 267 Cb -0.13 -4.72 0.06 0.00 0.00 0.00 0.00 36.38 31.59 3i4x s VAL 267 CO 0.21 -1.52 0.57 -0.94 0.00 0.00 0.00 175.10 173.42 3i4x s SER 268 N 3.70 -0.51 0.23 3.32 1.04 -1.26 -0.05 113.70 120.17 3i4x s SER 268 Ca 0.24 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.84 3i4x s SER 268 Cb -0.15 0.53 0.33 0.00 0.10 0.00 0.00 66.02 66.82 3i4x s SER 268 CO 0.11 -0.76 1.81 0.25 0.98 0.00 0.00 173.24 175.63 3i4x h LEU 269 N 2.63 0.63 -0.52 2.42 5.85 -1.99 -1.93 115.31 122.40 3i4x h LEU 269 Ca -0.31 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3i4x h LEU 269 Cb 1.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3i4x h LEU 269 CO 0.40 0.38 0.28 -0.33 -0.34 0.00 0.00 178.44 178.82 3i4x h GLU 270 N 0.75 0.52 -0.68 1.25 3.07 -1.97 0.20 114.58 117.73 3i4x h GLU 270 Ca 0.36 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.15 3i4x h GLU 270 Cb 0.28 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3i4x h GLU 270 CO -0.22 0.34 0.28 0.00 -1.40 0.00 0.00 179.01 178.01 3i4x h ALA 271 N 1.27 0.88 -0.42 3.43 0.00 -1.76 -0.69 119.26 121.97 3i4x h ALA 271 Ca 0.23 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3i4x h ALA 271 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i4x h ALA 271 CO -0.15 0.49 -0.25 1.98 0.00 0.00 0.00 179.25 181.33 3i4x h MET 272 N 0.96 0.87 -0.67 0.00 -1.53 -0.51 -2.33 114.93 111.71 3i4x h MET 272 Ca 0.23 -0.37 -0.05 0.00 -3.44 0.00 0.00 59.70 56.07 3i4x h MET 272 Cb 0.20 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.19 3i4x h MET 272 CO -0.02 1.01 0.23 0.93 0.14 0.00 0.00 176.91 179.21 3i4x h GLU 273 N 0.74 1.03 -0.73 0.39 5.08 -0.39 0.03 114.58 120.74 3i4x h GLU 273 Ca 0.09 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3i4x h GLU 273 Cb 0.79 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3i4x h GLU 273 CO 0.07 0.88 0.47 0.22 -1.00 0.00 0.00 179.01 179.65 3i4x h ASP 274 N 0.97 0.85 -0.36 1.42 3.58 -0.83 -0.46 116.42 121.59 3i4x h ASP 274 Ca 0.22 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 3i4x h ASP 274 Cb 0.26 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3i4x h ASP 274 CO -0.01 0.63 0.14 -0.07 -2.88 0.00 0.00 179.24 177.05 3i4x h LEU 275 N 0.99 0.50 -1.01 2.28 3.38 -1.25 0.45 115.31 120.65 3i4x h LEU 275 Ca 0.27 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3i4x h LEU 275 Cb -0.09 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3i4x h LEU 275 CO -0.06 0.54 0.65 -0.25 0.09 0.00 0.00 178.44 179.42 3i4x h TRP 276 N 0.43 1.22 -0.28 1.13 2.91 -0.03 -2.03 115.95 119.29 3i4x h TRP 276 Ca 0.12 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3i4x h TRP 276 Cb 0.20 -0.40 0.00 0.00 -0.51 0.00 0.00 29.16 28.44 3i4x h TRP 276 CO -0.00 0.67 0.00 0.25 -1.03 0.00 0.00 178.44 178.33 3i4x n THR 277 N -4.47 0.38 -3.99 2.65 -2.24 -0.27 -4.76 114.28 101.58 3i4x n THR 277 Ca 0.15 -0.69 -0.33 0.00 -2.27 0.00 0.00 64.05 60.91 3i4x n THR 277 Cb 0.14 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 3i4x n THR 277 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i4x n LEU 278 N 1.38 -1.69 -3.20 3.22 4.32 -0.03 -0.54 117.00 120.46 3i4x n LEU 278 Ca 0.17 -1.13 -0.20 0.00 -0.02 0.00 0.00 56.01 54.83 3i4x n LEU 278 Cb 0.58 -2.01 0.07 0.00 -1.62 0.00 0.00 43.42 40.45 3i4x n LEU 278 CO 0.15 0.53 0.20 0.61 -1.22 0.00 0.00 177.39 177.66 3i4x n GLY 279 N -2.06 -0.35 2.27 -0.72 0.00 0.14 -2.53 105.19 101.95 3i4x n GLY 279 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i4x n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4x n GLY 280 N -1.72 0.69 0.21 -0.02 0.00 -0.94 -4.91 105.19 98.51 3i4x n GLY 280 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 3i4x n GLY 280 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i4x h ARG 281 N 1.84 0.34 -4.65 1.61 3.08 -0.69 -3.40 114.38 112.52 3i4x h ARG 281 Ca 0.00 -0.16 -0.71 0.00 0.07 0.00 0.00 59.98 59.18 3i4x h ARG 281 Cb 0.00 -0.01 -0.20 0.00 0.08 0.00 0.00 29.97 29.84 3i4x h ARG 281 CO 0.00 0.68 -0.34 1.03 -1.07 0.00 0.00 179.97 180.27 3i4x s ARG 282 N -4.23 3.02 0.00 0.04 0.52 0.30 -4.87 118.95 113.73 3i4x s ARG 282 Ca -0.05 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 3i4x s ARG 282 Cb 0.13 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.63 3i4x s ARG 282 CO 0.78 -0.80 0.58 0.54 0.02 0.00 0.00 175.30 176.43 3i4x n ARG 283 N 5.34 0.25 -1.31 3.54 1.74 -1.26 -4.73 116.66 120.23 3i4x n ARG 283 Ca -0.09 -0.72 -0.32 0.00 -0.77 0.00 0.00 57.85 55.95 3i4x n ARG 283 Cb 0.47 -0.92 0.10 0.00 -1.02 0.00 0.00 32.46 31.09 3i4x n ARG 283 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3i4x s ASP 284 N -0.27 4.28 0.27 0.55 -4.77 -1.26 -4.77 116.67 110.70 3i4x s ASP 284 Ca 0.00 2.05 -0.01 0.00 -3.30 0.00 0.00 52.55 51.30 3i4x s ASP 284 Cb 0.00 -2.55 0.49 0.00 -1.09 0.00 0.00 42.92 39.77 3i4x s ASP 284 CO 0.00 -2.19 1.85 0.00 0.70 0.00 0.00 175.17 175.52 3i4x h ALA 285 N -0.81 1.44 -0.36 2.11 0.00 -1.99 -0.99 119.26 118.66 3i4x h ALA 285 Ca -0.45 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3i4x h ALA 285 Cb 1.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3i4x h ALA 285 CO 0.50 0.27 0.17 1.03 0.00 0.00 0.00 179.25 181.22 3i4x h SER 286 N 1.02 0.48 -0.79 0.00 0.87 -2.00 -0.39 113.55 112.75 3i4x h SER 286 Ca 0.47 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.95 3i4x h SER 286 Cb 0.38 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 3i4x h SER 286 CO -0.24 0.48 0.48 0.74 -0.53 0.00 0.00 176.83 177.76 3i4x h THR 287 N 0.45 1.02 -0.25 2.23 2.02 -1.66 -0.65 112.91 116.08 3i4x h THR 287 Ca 0.12 -0.30 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 3i4x h THR 287 Cb 0.13 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3i4x h THR 287 CO -0.02 0.16 -0.41 -0.07 0.37 0.00 0.00 175.52 175.56 3i4x h LEU 288 N 0.88 0.63 -0.48 2.58 3.38 -0.65 0.32 115.31 121.97 3i4x h LEU 288 Ca 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i4x h LEU 288 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3i4x h LEU 288 CO -0.17 0.97 0.22 -0.33 0.09 0.00 0.00 178.44 179.22 3i4x h GLU 289 N 0.49 0.70 -0.62 1.13 5.08 -0.72 -2.09 114.58 118.55 3i4x h GLU 289 Ca 0.04 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3i4x h GLU 289 Cb 0.92 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 3i4x h GLU 289 CO 0.08 0.60 0.36 0.78 -1.00 0.00 0.00 179.01 179.83 3i4x h GLY 290 N 0.63 0.90 1.00 -3.84 0.00 -0.54 -2.41 103.07 98.81 3i4x h GLY 290 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.26 3i4x h GLY 290 CO -0.02 0.19 0.60 -2.00 0.00 0.00 0.00 176.54 175.32 3i4x h LEU 291 N 0.69 1.00 -1.60 3.11 5.85 -0.11 -0.24 115.31 124.02 3i4x h LEU 291 Ca 0.27 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3i4x h LEU 291 Cb 0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3i4x h LEU 291 CO -0.14 0.70 -0.21 0.77 -0.34 0.00 0.00 178.44 179.22 3i4x h SER 292 N 1.17 0.00 0.71 1.25 4.64 -0.87 -0.96 113.55 119.48 3i4x h SER 292 Ca 0.36 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.42 3i4x h SER 292 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3i4x h SER 292 CO -0.10 0.21 -1.21 -0.07 -0.87 0.00 0.00 176.83 174.79 3i4x h LEU 293 N 0.00 0.33 -0.42 5.97 3.38 -0.94 -2.04 115.31 121.58 3i4x h LEU 293 Ca -0.00 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3i4x h LEU 293 Cb 0.37 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3i4x h LEU 293 CO 0.03 1.28 0.23 0.58 0.09 0.00 0.00 178.44 180.65 3i4x h VAL 294 N 0.06 1.01 -0.71 1.22 2.07 -0.73 -0.56 116.25 118.61 3i4x h VAL 294 Ca -0.11 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3i4x h VAL 294 Cb 1.93 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3i4x h VAL 294 CO 0.18 0.09 0.24 0.03 0.02 0.00 0.00 177.57 178.13 3i4x h ARG 295 N 0.47 1.09 -0.06 1.57 3.08 -1.18 0.18 114.38 119.53 3i4x h ARG 295 Ca 0.17 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i4x h ARG 295 Cb 0.04 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3i4x h ARG 295 CO -0.10 0.92 0.03 1.49 -1.07 0.00 0.00 179.97 181.25 3i4x h GLU 296 N 1.03 0.08 -0.19 0.04 4.81 -1.15 -0.42 114.58 118.78 3i4x h GLU 296 Ca 0.23 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3i4x h GLU 296 Cb 0.28 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3i4x h GLU 296 CO -0.01 0.14 0.02 -0.07 -0.73 0.00 0.00 179.01 178.36 3i4x h LEU 297 N -0.01 -0.03 -0.67 1.64 3.38 -0.85 -0.80 115.31 117.97 3i4x h LEU 297 Ca 0.02 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.16 3i4x h LEU 297 Cb 0.09 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 3i4x h LEU 297 CO -0.00 0.01 -0.12 -0.25 0.09 0.00 0.00 178.44 178.17 3i4x h TRP 298 N 0.09 -0.27 0.00 1.13 2.91 -0.50 0.53 115.95 119.84 3i4x h TRP 298 Ca 0.09 0.06 -0.11 0.00 1.13 0.00 0.00 58.89 60.06 3i4x h TRP 298 Cb 0.10 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 3i4x h TRP 298 CO -0.16 -0.27 -0.51 -0.44 -1.03 0.00 0.00 178.44 176.04 3i4x h ASP 299 N 0.03 0.00 0.02 2.65 3.32 -0.55 -2.12 116.42 119.78 3i4x h ASP 299 Ca 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 3i4x h ASP 299 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3i4x h ASP 299 CO -0.66 0.51 -0.32 -0.07 -1.72 0.00 0.00 179.24 176.98 3i4x h LEU 300 N 0.00 0.23 -0.78 1.55 3.38 -0.47 -3.35 115.31 115.87 3i4x h LEU 300 Ca -0.01 -0.85 -0.13 0.00 0.09 0.00 0.00 57.88 56.98 3i4x h LEU 300 Cb 0.97 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3i4x h LEU 300 CO 0.07 1.06 -0.60 0.40 0.09 0.00 0.00 178.44 179.46 3i4x h ILE 301 N -0.56 1.43 -6.24 1.22 2.04 -0.89 -3.44 117.51 111.06 3i4x h ILE 301 Ca -0.05 -2.05 -0.44 0.00 1.00 0.00 0.00 64.86 63.32 3i4x h ILE 301 Cb 1.13 2.10 0.04 0.00 -0.74 0.00 0.00 36.82 39.35 3i4x h ILE 301 CO 0.06 0.59 -0.89 0.00 0.00 0.00 0.00 178.15 177.91 3i4x n GLN 302 N -3.83 -2.93 -1.72 2.37 6.02 -0.80 -4.94 117.38 111.55 3i4x n GLN 302 Ca -0.01 0.50 -0.38 0.00 -0.01 0.00 0.00 57.00 57.10 3i4x n GLN 302 Cb 0.60 -4.61 0.05 0.00 1.02 0.00 0.00 30.24 27.31 3i4x n GLN 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i4x n LEU 303 N -4.24 5.47 -4.62 1.08 4.77 -1.26 -4.92 117.00 113.27 3i4x n LEU 303 Ca -0.22 0.90 -0.43 0.00 -0.03 0.00 0.00 56.01 56.23 3i4x n LEU 303 Cb 0.65 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 3i4x n LEU 303 CO 0.70 -0.92 1.34 -0.44 -1.33 0.00 0.00 177.39 176.73 3i4x s SER 304 N -1.14 6.38 0.69 -1.43 0.01 -1.26 -4.99 113.70 111.96 3i4x s SER 304 Ca 0.77 1.48 -0.11 0.00 1.31 0.00 0.00 55.95 59.39 3i4x s SER 304 Cb -0.40 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.30 3i4x s SER 304 CO 0.45 -1.28 1.08 -2.16 0.41 0.00 0.00 173.24 171.74 3i4x s PRO 305 N 4.70 2.96 0.00 12.44 0.05 -1.26 -4.86 135.00 149.03 3i4x s PRO 305 Ca 0.69 0.47 0.00 0.00 0.05 0.00 0.00 61.00 62.22 3i4x s PRO 305 Cb -0.23 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.28 3i4x s PRO 305 CO 0.29 -0.96 0.00 0.41 0.05 0.00 0.00 177.00 176.79 3i4x n GLY 306 N -2.95 2.62 3.75 0.56 0.00 0.93 -4.92 105.19 105.18 3i4x n GLY 306 Ca 0.07 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3i4x n GLY 306 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4x s LEU 307 N 0.00 4.36 -0.09 0.99 2.96 -1.26 -1.47 118.68 124.16 3i4x s LEU 307 Ca 0.00 2.88 0.04 0.00 -0.22 0.00 0.00 54.13 56.83 3i4x s LEU 307 Cb 0.00 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 3i4x s LEU 307 CO 0.00 -0.85 -0.23 -0.54 -1.32 0.00 0.00 176.35 173.40 3i4x s LYS 308 N -0.54 2.95 1.07 1.98 -0.14 0.10 -4.92 119.74 120.25 3i4x s LYS 308 Ca 0.62 -0.87 -0.13 0.00 -1.36 0.00 0.00 55.97 54.22 3i4x s LYS 308 Cb -0.46 -2.29 0.23 0.00 -1.68 0.00 0.00 37.83 33.63 3i4x s LYS 308 CO 0.47 0.23 1.07 -1.54 -0.76 0.00 0.00 175.35 174.83 3i4x s SER 309 N 0.21 1.91 0.53 2.83 1.04 -1.26 -4.74 113.70 114.23 3i4x s SER 309 Ca -0.15 1.20 -0.22 0.00 0.48 0.00 0.00 55.95 57.26 3i4x s SER 309 Cb -0.17 -1.87 -0.05 0.00 0.10 0.00 0.00 66.02 64.03 3i4x s SER 309 CO 0.07 -3.58 1.38 -0.31 0.98 0.00 0.00 173.24 171.79 3i4x s TYR 310 N -2.83 2.28 0.86 5.02 2.02 -1.26 -4.59 117.35 118.85 3i4x s TYR 310 Ca 0.67 1.34 -0.10 0.00 -0.37 0.00 0.00 57.07 58.61 3i4x s TYR 310 Cb -0.20 -3.85 0.16 0.00 -0.40 0.00 0.00 41.96 37.68 3i4x s TYR 310 CO 0.59 -2.99 1.19 -1.25 -1.57 0.00 0.00 175.55 171.52 3i4x s PRO 311 N -2.84 1.13 0.50 -1.71 0.04 -1.26 -5.01 135.00 125.85 3i4x s PRO 311 Ca 0.70 -0.62 -0.22 0.00 0.04 0.00 0.00 61.00 60.91 3i4x s PRO 311 Cb -0.42 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 3i4x s PRO 311 CO 0.50 -1.99 0.98 0.00 0.04 0.00 0.00 177.00 176.53 3i4x n ALA 312 N -3.39 0.17 -0.29 8.56 0.00 -1.26 -4.85 120.51 119.45 3i4x n ALA 312 Ca 0.14 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.80 3i4x n ALA 312 Cb 0.60 -2.09 0.31 0.00 0.00 0.00 0.00 19.45 18.27 3i4x n ALA 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i4x h PRO 313 N 1.09 0.83 -3.23 0.00 0.11 -1.95 -3.44 132.00 125.41 3i4x h PRO 313 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3i4x h PRO 313 Cb 1.35 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 3i4x h PRO 313 CO 0.54 0.55 0.10 1.52 -0.21 0.00 0.00 178.00 180.50 3i4x s TYR 314 N -5.80 -0.03 -0.14 0.65 -0.85 -1.26 -4.87 117.35 105.05 3i4x s TYR 314 Ca -0.11 -0.38 -0.02 0.00 -0.52 0.00 0.00 57.07 56.04 3i4x s TYR 314 Cb 0.21 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 43.04 3i4x s TYR 314 CO 0.79 -1.12 -0.08 -0.51 -1.52 0.00 0.00 175.55 173.12 3i4x s LEU 315 N -2.94 3.01 0.79 -3.49 1.43 0.17 -5.00 118.68 112.64 3i4x s LEU 315 Ca 0.14 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 3i4x s LEU 315 Cb -0.04 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.52 3i4x s LEU 315 CO 0.06 0.17 1.02 -2.65 0.23 0.00 0.00 176.35 175.18 3i4x n PRO 316 N 3.52 0.27 -1.71 1.29 -0.02 -1.26 -4.29 135.00 132.79 3i4x n PRO 316 Ca -0.18 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 3i4x n PRO 316 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3i4x n PRO 316 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i4x n LEU 317 N -2.41 4.04 0.00 2.45 4.77 -1.26 -2.16 117.00 122.43 3i4x n LEU 317 Ca 0.13 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 3i4x n LEU 317 Cb 0.50 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3i4x n LEU 317 CO 0.49 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3i4x n GLY 318 N 0.73 2.34 3.67 -0.72 0.00 -1.26 -4.95 105.19 105.00 3i4x n GLY 318 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3i4x n GLY 318 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4x s VAL 319 N -2.40 4.83 0.06 1.61 1.01 -0.92 -5.01 120.40 119.58 3i4x s VAL 319 Ca 0.00 1.74 -0.31 0.00 0.00 0.00 0.00 61.98 63.42 3i4x s VAL 319 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3i4x s VAL 319 CO 0.00 -0.02 1.65 -0.63 0.00 0.00 0.00 175.10 176.10 3i4x s ILE 320 N 2.38 3.11 0.57 2.22 -1.09 -1.26 -4.92 121.20 122.20 3i4x s ILE 320 Ca 0.40 0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 59.14 3i4x s ILE 320 Cb -0.16 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3i4x s ILE 320 CO 0.12 -0.01 1.26 -2.16 -1.23 0.00 0.00 174.94 172.92 3i4x s PRO 321 N 2.77 3.08 -0.39 2.79 0.05 -1.26 -4.97 135.00 137.07 3i4x s PRO 321 Ca 0.74 1.99 0.08 0.00 0.05 0.00 0.00 61.00 63.85 3i4x s PRO 321 Cb -0.39 -2.09 0.25 0.00 0.05 0.00 0.00 34.50 32.32 3i4x s PRO 321 CO 0.32 -1.17 0.52 -3.47 0.05 0.00 0.00 177.00 173.26 3i4x n ASP 322 N -1.30 0.22 -3.65 6.66 2.03 -1.26 -4.96 116.55 114.29 3i4x n ASP 322 Ca 0.12 -2.70 -0.08 0.00 0.52 0.00 0.00 54.79 52.65 3i4x n ASP 322 Cb 0.48 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 3i4x n ASP 322 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3i4x s GLU 323 N -1.19 1.41 0.02 -0.67 -1.05 -1.26 -4.86 118.70 111.09 3i4x s GLU 323 Ca 0.35 -0.68 0.01 0.00 -0.15 0.00 0.00 54.97 54.50 3i4x s GLU 323 Cb 0.17 0.54 -0.01 0.00 -0.44 0.00 0.00 34.13 34.39 3i4x s GLU 323 CO -0.11 -0.63 -0.04 1.03 0.95 0.00 0.00 175.26 176.46 3i4x s ARG 324 N -3.66 0.30 0.31 -4.83 1.81 -1.26 -4.54 118.95 107.07 3i4x s ARG 324 Ca 0.07 -0.45 0.09 0.00 -1.72 0.00 0.00 55.73 53.72 3i4x s ARG 324 Cb -0.03 -0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 3i4x s ARG 324 CO -0.02 0.00 0.06 -0.51 -0.68 0.00 0.00 175.30 174.15 3i4x s LEU 325 N -0.98 3.19 0.68 2.53 1.43 -1.26 -4.83 118.68 119.44 3i4x s LEU 325 Ca -0.09 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 3i4x s LEU 325 Cb -0.07 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3i4x s LEU 325 CO -0.00 -0.16 1.15 -2.65 0.23 0.00 0.00 176.35 174.91 3i4x n PRO 326 N -1.01 0.81 -1.29 1.29 -0.02 -1.26 -4.85 135.00 128.67 3i4x n PRO 326 Ca -0.05 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 3i4x n PRO 326 Cb 0.60 -2.39 0.19 0.00 -0.02 0.00 0.00 33.50 31.89 3i4x n PRO 326 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i4x s LEU 327 N -3.84 1.48 0.04 2.45 1.43 0.75 -4.71 118.68 116.28 3i4x s LEU 327 Ca 0.78 0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3i4x s LEU 327 Cb -0.37 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 3i4x s LEU 327 CO 0.45 -3.28 0.06 -0.04 0.23 0.00 0.00 176.35 173.77 3i4x s MET 328 N -5.25 0.58 -0.01 1.70 -1.94 -1.22 -0.48 119.30 112.69 3i4x s MET 328 Ca 0.67 -0.85 -0.11 0.00 -1.71 0.00 0.00 55.69 53.69 3i4x s MET 328 Cb -0.14 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.94 3i4x s MET 328 CO 0.56 -0.14 0.22 0.00 -0.01 0.00 0.00 175.02 175.65 3i4x s ALA 329 N -2.85 -0.55 0.24 3.03 0.00 -0.53 -0.32 121.76 120.78 3i4x s ALA 329 Ca -0.03 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.16 3i4x s ALA 329 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3i4x s ALA 329 CO -0.06 -0.23 -0.10 0.54 0.00 0.00 0.00 175.76 175.92 3i4x s ASN 330 N -1.25 4.12 -0.16 0.00 2.20 0.63 -0.17 114.94 120.31 3i4x s ASN 330 Ca -0.13 -0.76 0.01 0.00 -0.94 0.00 0.00 52.86 51.04 3i4x s ASN 330 Cb -0.06 -0.62 0.02 0.00 -2.00 0.00 0.00 41.25 38.60 3i4x s ASN 330 CO 0.03 0.05 -0.15 -0.36 -2.94 0.00 0.00 177.10 173.72 3i4x s PHE 331 N -2.18 2.32 -0.11 1.54 0.08 0.84 -1.07 117.98 119.39 3i4x s PHE 331 Ca 0.29 -1.34 -0.20 0.00 0.12 0.00 0.00 56.93 55.80 3i4x s PHE 331 Cb -0.07 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3i4x s PHE 331 CO 0.17 -0.71 0.54 0.99 -0.10 0.00 0.00 175.22 176.11 3i4x s THR 332 N 1.44 5.14 -0.61 0.64 2.01 0.18 -1.58 115.64 122.85 3i4x s THR 332 Ca 0.05 1.10 -0.22 0.00 0.31 0.00 0.00 61.69 62.92 3i4x s THR 332 Cb -0.13 -3.88 0.07 0.00 0.01 0.00 0.00 72.50 68.56 3i4x s THR 332 CO -0.11 0.29 0.89 -0.76 -0.69 0.00 0.00 174.62 174.24 3i4x s LEU 333 N 0.75 4.52 0.20 4.42 1.43 -0.29 -1.17 118.68 128.53 3i4x s LEU 333 Ca 0.29 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.28 3i4x s LEU 333 Cb -0.16 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 3i4x s LEU 333 CO 0.12 -1.29 0.71 -1.00 0.23 0.00 0.00 176.35 175.13 3i4x s HIS 334 N 3.70 3.70 -0.74 0.29 3.76 -1.26 -3.99 115.29 120.75 3i4x s HIS 334 Ca 0.22 1.40 0.26 0.00 -0.15 0.00 0.00 55.06 56.79 3i4x s HIS 334 Cb -0.17 -2.62 0.81 0.00 1.11 0.00 0.00 32.58 31.70 3i4x s HIS 334 CO 0.12 0.38 1.77 1.04 -0.85 0.00 0.00 174.74 177.20 3i4x n GLN 335 N 0.92 0.26 -0.29 1.40 6.02 -1.26 -3.44 117.38 120.99 3i4x n GLN 335 Ca -0.03 0.21 0.08 0.00 -0.01 0.00 0.00 57.00 57.24 3i4x n GLN 335 Cb 0.51 -1.79 0.23 0.00 1.02 0.00 0.00 30.24 30.20 3i4x n GLN 335 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i4x n ASN 336 N -2.24 3.44 -3.73 1.08 4.05 -1.26 -4.82 115.26 111.77 3i4x n ASN 336 Ca 0.06 -2.11 -0.15 0.00 0.45 0.00 0.00 54.58 52.83 3i4x n ASN 336 Cb 0.43 -0.35 -0.16 0.00 1.23 0.00 0.00 39.78 40.93 3i4x n ASN 336 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3i4x s ASP 337 N -1.05 0.21 0.23 1.20 -1.08 -1.22 -5.03 116.67 109.92 3i4x s ASP 337 Ca 0.34 0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.81 3i4x s ASP 337 Cb 0.19 0.08 0.91 0.00 -1.46 0.00 0.00 42.92 42.64 3i4x s ASP 337 CO 0.21 -0.17 1.74 -0.81 0.52 0.00 0.00 175.17 176.66 3i4x n PRO 338 N 4.49 0.22 -3.91 4.34 -0.04 -1.26 -4.35 135.00 134.49 3i4x n PRO 338 Ca -0.21 0.32 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 3i4x n PRO 338 Cb 0.51 -1.83 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 3i4x n PRO 338 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i4x s VAL 339 N -3.21 4.46 0.37 0.52 1.01 -1.26 -2.33 120.40 119.95 3i4x s VAL 339 Ca 0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 3i4x s VAL 339 Cb 0.11 -3.05 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 3i4x s VAL 339 CO 0.48 0.39 1.50 -2.16 0.00 0.00 0.00 175.10 175.31 3i4x s PRO 340 N 1.08 4.11 -0.25 2.72 0.04 -1.26 -4.74 135.00 136.70 3i4x s PRO 340 Ca 0.04 2.58 -0.13 0.00 0.04 0.00 0.00 61.00 63.52 3i4x s PRO 340 Cb -0.14 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 3i4x s PRO 340 CO 0.03 -0.55 0.29 -2.00 0.04 0.00 0.00 177.00 174.82 3i4x s GLU 341 N -1.94 4.06 0.40 4.56 2.12 -0.32 -4.82 118.70 122.76 3i4x s GLU 341 Ca 0.54 -0.06 -0.15 0.00 0.36 0.00 0.00 54.97 55.66 3i4x s GLU 341 Cb -0.47 -3.60 -0.08 0.00 0.26 0.00 0.00 34.13 30.24 3i4x s GLU 341 CO 0.62 -0.12 0.83 -1.25 -0.54 0.00 0.00 175.26 174.80 3i4x s PRO 342 N 1.57 3.97 -0.03 4.30 0.04 -1.26 0.47 135.00 144.05 3i4x s PRO 342 Ca 0.13 0.74 0.01 0.00 0.04 0.00 0.00 61.00 61.92 3i4x s PRO 342 Cb -0.15 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.09 3i4x s PRO 342 CO 0.08 -0.01 -0.03 -1.14 0.04 0.00 0.00 177.00 175.94 3i4x s GLN 343 N -3.48 0.59 0.14 4.56 0.74 -0.24 -4.59 119.66 117.38 3i4x s GLN 343 Ca 0.56 -0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.99 3i4x s GLN 343 Cb -0.10 -0.66 -0.04 0.00 1.10 0.00 0.00 33.01 33.31 3i4x s GLN 343 CO 0.23 -0.09 -0.00 0.14 -0.55 0.00 0.00 175.29 175.02 3i4x s VAL 344 N 0.88 3.82 -0.18 1.34 -7.23 0.11 -0.27 120.40 118.86 3i4x s VAL 344 Ca -0.10 -1.25 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3i4x s VAL 344 Cb -0.13 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.95 3i4x s VAL 344 CO -0.01 -0.01 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.28 3i4x s TYR 345 N -1.54 2.80 -0.46 2.82 2.02 0.56 0.03 117.35 123.58 3i4x s TYR 345 Ca 0.26 -1.60 -0.26 0.00 -0.37 0.00 0.00 57.07 55.10 3i4x s TYR 345 Cb -0.10 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 3i4x s TYR 345 CO 0.18 -0.79 0.98 -0.06 -1.57 0.00 0.00 175.55 174.29 3i4x s PHE 346 N 1.30 2.91 -0.67 2.71 0.08 0.12 -3.37 117.98 121.05 3i4x s PHE 346 Ca 0.05 0.50 -0.21 0.00 0.12 0.00 0.00 56.93 57.38 3i4x s PHE 346 Cb -0.13 -4.07 0.08 0.00 -0.57 0.00 0.00 43.02 38.33 3i4x s PHE 346 CO -0.12 -1.12 0.93 0.99 -0.10 0.00 0.00 175.22 175.79 3i4x s THR 347 N 3.91 4.46 -0.80 0.64 2.01 -1.26 -0.97 115.64 123.63 3i4x s THR 347 Ca 0.40 -0.61 0.24 0.00 0.31 0.00 0.00 61.69 62.03 3i4x s THR 347 Cb -0.09 -4.66 -0.02 0.00 0.01 0.00 0.00 72.50 67.74 3i4x s THR 347 CO 0.27 -1.40 1.27 0.35 -0.69 0.00 0.00 174.62 174.42 3i4x n THR 348 N 5.81 0.15 -1.63 -0.82 -2.24 -1.05 -4.59 114.28 109.91 3i4x n THR 348 Ca -0.02 -0.14 -0.54 0.00 -2.27 0.00 0.00 64.05 61.07 3i4x n THR 348 Cb 0.45 0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 3i4x n THR 348 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3i4x n PHE 349 N -1.79 1.65 0.00 4.78 7.35 -0.94 -0.56 117.46 127.95 3i4x n PHE 349 Ca 0.04 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 3i4x n PHE 349 Cb 0.39 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.86 3i4x n PHE 349 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i4x n GLY 350 N 3.04 1.80 3.88 7.13 0.00 -1.03 -4.49 105.19 115.53 3i4x n GLY 350 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3i4x n GLY 350 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i4x s MET 351 N -0.89 3.67 0.06 1.61 -1.94 0.28 -4.81 119.30 117.28 3i4x s MET 351 Ca 0.00 0.47 -0.32 0.00 -1.71 0.00 0.00 55.69 54.13 3i4x s MET 351 Cb 0.00 -2.30 -0.11 0.00 2.01 0.00 0.00 34.83 34.43 3i4x s MET 351 CO 0.00 -0.23 1.84 -1.71 -0.01 0.00 0.00 175.02 174.91 3i4x n ASN 352 N -1.98 3.78 -0.10 3.03 2.85 -1.26 -4.21 115.26 117.37 3i4x n ASN 352 Ca 0.03 0.98 -0.14 0.00 -0.11 0.00 0.00 54.58 55.34 3i4x n ASN 352 Cb 0.54 -1.48 -0.04 0.00 1.24 0.00 0.00 39.78 40.05 3i4x n ASN 352 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3i4x h ASP 353 N 8.74 0.89 -0.58 1.20 3.32 -1.17 -1.60 116.42 127.22 3i4x h ASP 353 Ca -0.47 -0.49 -0.06 0.00 0.02 0.00 0.00 57.03 56.03 3i4x h ASP 353 Cb 1.24 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3i4x h ASP 353 CO 0.94 1.20 0.14 0.24 -1.72 0.00 0.00 179.24 180.03 3i4x h MET 354 N 0.60 0.98 -0.48 3.56 2.86 -1.78 0.11 114.93 120.79 3i4x h MET 354 Ca 0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3i4x h MET 354 Cb 0.97 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 3i4x h MET 354 CO 0.09 0.88 0.31 0.00 1.06 0.00 0.00 176.91 179.25 3i4x h ALA 355 N 1.21 0.61 -0.56 6.32 0.00 -1.90 -0.22 119.26 124.71 3i4x h ALA 355 Ca 0.20 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3i4x h ALA 355 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3i4x h ALA 355 CO 0.00 0.07 0.03 0.28 0.00 0.00 0.00 179.25 179.63 3i4x h VAL 356 N 0.64 1.26 -0.21 0.00 2.07 -0.90 -0.27 116.25 118.84 3i4x h VAL 356 Ca 0.17 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 3i4x h VAL 356 Cb -0.05 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3i4x h VAL 356 CO -0.04 0.39 -0.18 0.00 0.02 0.00 0.00 177.57 177.76 3i4x h ALA 357 N 0.97 1.29 -0.10 1.67 0.00 -0.59 0.31 119.26 122.82 3i4x h ALA 357 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i4x h ALA 357 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i4x h ALA 357 CO 0.02 0.47 0.02 0.22 0.00 0.00 0.00 179.25 179.98 3i4x h ASP 358 N 0.34 0.16 -0.49 0.00 3.58 -0.56 -0.16 116.42 119.29 3i4x h ASP 358 Ca 0.06 -0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.30 3i4x h ASP 358 Cb 0.52 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 3i4x h ASP 358 CO 0.03 0.37 0.23 0.00 -2.88 0.00 0.00 179.24 177.00 3i4x h ALA 359 N 0.79 0.61 -0.18 -0.78 0.00 -0.51 -1.11 119.26 118.09 3i4x h ALA 359 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3i4x h ALA 359 Cb 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i4x h ALA 359 CO 0.00 -0.13 -0.06 -0.07 0.00 0.00 0.00 179.25 178.99 3i4x h LEU 360 N 0.46 -0.22 -1.11 0.00 3.38 -0.87 -1.01 115.31 115.93 3i4x h LEU 360 Ca 0.22 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 3i4x h LEU 360 Cb 0.14 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i4x h LEU 360 CO -0.17 -0.09 -0.30 0.71 0.09 0.00 0.00 178.44 178.69 3i4x h THR 361 N -0.03 1.26 -0.21 0.22 1.35 -0.59 0.31 112.91 115.22 3i4x h THR 361 Ca 0.09 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 64.68 3i4x h THR 361 Cb 0.17 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3i4x h THR 361 CO -0.21 0.38 0.01 0.74 -0.25 0.00 0.00 175.52 176.19 3i4x h THR 362 N 0.22 1.25 -0.69 6.82 2.02 -1.01 -0.48 112.91 121.03 3i4x h THR 362 Ca 0.03 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.37 3i4x h THR 362 Cb 0.65 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 3i4x h THR 362 CO 0.05 0.26 0.45 0.15 0.37 0.00 0.00 175.52 176.80 3i4x h PHE 363 N 0.14 0.84 -0.42 3.16 3.57 0.21 -1.51 116.94 122.93 3i4x h PHE 363 Ca 0.06 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3i4x h PHE 363 Cb 0.39 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3i4x h PHE 363 CO 0.03 0.51 0.12 0.74 -2.23 0.00 0.00 178.31 177.49 3i4x h PHE 364 N 0.90 0.21 -0.39 0.41 0.04 -0.21 -1.30 116.94 116.61 3i4x h PHE 364 Ca 0.26 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.07 3i4x h PHE 364 Cb -0.06 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 3i4x h PHE 364 CO -0.03 0.07 0.22 0.93 -0.60 0.00 0.00 178.31 178.90 3i4x h GLU 365 N 0.27 0.44 0.00 1.51 5.08 -0.69 -0.11 114.58 121.08 3i4x h GLU 365 Ca 0.20 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3i4x h GLU 365 Cb 0.21 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3i4x h GLU 365 CO -0.22 0.29 -0.15 0.00 -1.00 0.00 0.00 179.01 177.93 3i4x h ARG 366 N 0.45 0.00 -0.00 2.33 3.08 -0.98 -0.38 114.38 118.88 3i4x h ARG 366 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i4x h ARG 366 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3i4x h ARG 366 CO -0.07 0.15 -0.14 0.54 -1.07 0.00 0.00 179.97 179.38 3i4x n ARG 367 N -4.11 0.27 -1.08 0.04 5.12 -0.52 -4.92 116.66 111.47 3i4x n ARG 367 Ca -0.02 -0.08 -0.03 0.00 -1.93 0.00 0.00 57.85 55.79 3i4x n ARG 367 Cb 0.23 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.02 3i4x n ARG 367 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i4x n GLY 368 N 1.41 0.60 2.98 -0.13 0.00 -0.15 -4.95 105.19 104.95 3i4x n GLY 368 Ca 0.10 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3i4x n GLY 368 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i4x n TRP 369 N -2.89 3.63 -0.13 1.61 8.01 -0.17 -4.81 117.44 122.69 3i4x n TRP 369 Ca -0.03 -2.94 -0.04 0.00 -1.31 0.00 0.00 57.50 53.19 3i4x n TRP 369 Cb 0.11 -2.29 0.04 0.00 -2.01 0.00 0.00 31.31 27.16 3i4x n TRP 369 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 3i4x h SER 370 N 6.24 0.02 -0.02 -0.99 0.02 -1.90 -0.60 113.55 116.32 3i4x h SER 370 Ca 0.46 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.47 3i4x h SER 370 Cb 0.69 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3i4x h SER 370 CO 1.66 0.05 -0.03 1.05 -1.14 0.00 0.00 176.83 178.42 3i4x h GLU 371 N 0.23 0.06 -0.47 3.45 9.09 -1.97 -1.38 114.58 123.60 3i4x h GLU 371 Ca 0.21 -0.03 0.08 0.00 0.05 0.00 0.00 59.36 59.67 3i4x h GLU 371 Cb 0.26 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.26 3i4x h GLU 371 CO -0.27 0.56 -0.36 0.52 0.05 0.00 0.00 179.01 179.51 3i4x h MET 372 N -0.44 -0.24 -0.87 1.06 2.86 -1.90 0.14 114.93 115.56 3i4x h MET 372 Ca 0.00 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3i4x h MET 372 Cb 0.55 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.21 3i4x h MET 372 CO 0.01 -0.16 0.56 0.00 1.06 0.00 0.00 176.91 178.38 3i4x h ALA 373 N 0.73 1.55 -0.03 6.32 0.00 -1.04 0.21 119.26 127.01 3i4x h ALA 373 Ca 0.18 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 3i4x h ALA 373 Cb 0.56 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i4x h ALA 373 CO -0.60 0.31 -0.97 0.00 0.00 0.00 0.00 179.25 178.00 3i4x h ARG 374 N 0.97 0.66 0.00 0.00 3.08 -0.05 -3.37 114.38 115.68 3i4x h ARG 374 Ca 0.37 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3i4x h ARG 374 Cb 0.21 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3i4x h ARG 374 CO -0.14 1.26 -1.34 0.25 -1.07 0.00 0.00 179.97 178.93 3i4x n THR 375 N -3.85 0.00 0.26 2.04 -2.24 0.38 -4.73 114.28 106.14 3i4x n THR 375 Ca -0.09 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 3i4x n THR 375 Cb 0.84 0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 69.55 3i4x n THR 375 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3i4x h TYR 376 N 0.00 -0.86 -0.39 4.78 3.20 -1.12 -0.11 116.97 122.47 3i4x h TYR 376 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3i4x h TYR 376 Cb 0.64 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3i4x h TYR 376 CO 0.00 -0.48 0.16 0.93 -1.64 0.00 0.00 178.16 177.13 3i4x h GLU 377 N -0.74 0.58 -0.70 1.82 5.08 -1.85 0.17 114.58 118.93 3i4x h GLU 377 Ca -0.04 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3i4x h GLU 377 Cb 0.64 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3i4x h GLU 377 CO 0.01 0.55 0.45 1.15 -1.00 0.00 0.00 179.01 180.16 3i4x h THR 378 N 0.48 1.11 -0.30 1.13 2.02 -1.82 -0.72 112.91 114.81 3i4x h THR 378 Ca 0.13 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 3i4x h THR 378 Cb 0.19 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3i4x h THR 378 CO -0.01 0.16 -0.24 0.74 0.37 0.00 0.00 175.52 176.54 3i4x h THR 379 N 0.88 1.30 -0.03 3.16 2.02 -0.81 -1.64 112.91 117.78 3i4x h THR 379 Ca 0.28 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 66.09 3i4x h THR 379 Cb -0.01 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3i4x h THR 379 CO -0.10 0.44 -0.05 0.25 0.37 0.00 0.00 175.52 176.43 3i4x h LEU 380 N 0.43 -0.16 -0.92 2.58 5.85 -0.66 -1.89 115.31 120.54 3i4x h LEU 380 Ca 0.05 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3i4x h LEU 380 Cb 0.79 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 3i4x h LEU 380 CO 0.06 -0.08 0.58 0.11 -0.34 0.00 0.00 178.44 178.77 3i4x h LYS 381 N -0.08 0.99 0.00 1.25 1.57 -1.10 -1.44 116.57 117.77 3i4x h LYS 381 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3i4x h LYS 381 Cb 0.12 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3i4x h LYS 381 CO -0.08 0.66 -0.03 0.66 -0.57 0.00 0.00 179.45 180.08 3i4x h SER 382 N 1.02 0.00 0.36 0.86 4.64 -0.51 -1.22 113.55 118.71 3i4x h SER 382 Ca 0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 3i4x h SER 382 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3i4x h SER 382 CO -0.19 0.03 -0.37 1.88 -0.87 0.00 0.00 176.83 177.31 3i4x h TYR 383 N 0.00 0.02 -2.08 4.77 0.05 -0.76 -0.43 116.97 118.53 3i4x h TYR 383 Ca -0.00 -0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.22 3i4x h TYR 383 Cb 0.10 -0.01 -0.40 0.00 1.01 0.00 0.00 36.73 37.43 3i4x h TYR 383 CO 0.00 0.39 -0.96 0.66 -1.05 0.00 0.00 178.16 177.20 3i4x n TYR 384 N -4.09 1.24 0.41 4.88 4.02 -0.51 -0.28 117.16 122.83 3i4x n TYR 384 Ca -0.02 -3.81 0.13 0.00 -0.01 0.00 0.00 57.90 54.19 3i4x n TYR 384 Cb 0.41 -0.43 0.50 0.00 -0.02 0.00 0.00 39.34 39.80 3i4x n TYR 384 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3i4x h PRO 385 N 3.65 0.00 -0.15 -0.72 0.13 -1.50 -1.80 132.00 131.61 3i4x h PRO 385 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3i4x h PRO 385 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3i4x h PRO 385 CO 0.60 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.09 3i4x n HIS 386 N -2.35 0.18 -2.35 1.56 8.25 -1.26 -4.98 115.22 114.27 3i4x n HIS 386 Ca 0.02 -0.09 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 3i4x n HIS 386 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3i4x n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4x s ALA 387 N -1.82 3.28 -0.92 -1.41 0.00 -0.68 -4.97 121.76 115.24 3i4x s ALA 387 Ca 0.34 -0.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 3i4x s ALA 387 Cb 0.21 -2.79 0.06 0.00 0.00 0.00 0.00 23.12 20.59 3i4x s ALA 387 CO 0.30 -0.46 1.32 0.34 0.00 0.00 0.00 175.76 177.27 3i4x s ASP 388 N -4.06 6.42 0.34 0.00 -1.08 -1.26 -4.86 116.67 112.17 3i4x s ASP 388 Ca 0.51 -1.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 3i4x s ASP 388 Cb -0.11 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.45 3i4x s ASP 388 CO 0.47 -1.50 1.98 0.45 0.52 0.00 0.00 175.17 177.09 3i4x h HIS 389 N 9.67 0.85 0.00 -5.34 3.86 -1.93 -0.98 115.15 121.29 3i4x h HIS 389 Ca 0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3i4x h HIS 389 Cb 1.03 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3i4x h HIS 389 CO 1.20 0.51 0.00 -0.44 0.86 0.00 0.00 177.93 180.06 3i4x h ASP 390 N 0.89 0.00 -0.00 2.45 3.32 -2.02 -3.04 116.42 118.02 3i4x h ASP 390 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3i4x h ASP 390 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i4x h ASP 390 CO -0.07 0.00 -0.79 0.29 -1.72 0.00 0.00 179.24 176.95 3i4x n LYS 391 N -2.50 1.16 -1.72 3.56 5.02 -0.39 -4.84 118.16 118.46 3i4x n LYS 391 Ca 0.02 -0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 3i4x n LYS 391 Cb 0.25 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3i4x n LYS 391 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i4x n LEU 392 N -1.27 3.93 -2.77 -0.35 4.77 -1.09 -4.91 117.00 115.30 3i4x n LEU 392 Ca 0.04 1.13 -0.02 0.00 -0.03 0.00 0.00 56.01 57.13 3i4x n LEU 392 Cb 0.29 -1.54 0.06 0.00 -2.33 0.00 0.00 43.42 39.90 3i4x n LEU 392 CO 0.35 -0.04 0.09 -0.46 -1.33 0.00 0.00 177.39 176.00 3i4x n ASN 393 N 2.39 0.93 0.00 -1.43 6.94 -1.26 -0.60 115.26 122.23 3i4x n ASN 393 Ca 0.10 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 3i4x n ASN 393 Cb 0.35 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 3i4x n ASN 393 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i4x n TYR 394 N -0.64 0.00 0.03 -2.53 0.18 -1.26 -2.45 117.16 110.49 3i4x n TYR 394 Ca 0.03 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.62 3i4x n TYR 394 Cb 0.82 0.07 -0.14 0.00 -0.38 0.00 0.00 39.34 39.70 3i4x n TYR 394 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3i4x h LEU 395 N 0.00 0.40 -8.48 -3.48 3.38 -1.90 -3.40 115.31 101.84 3i4x h LEU 395 Ca 0.00 -0.96 -0.64 0.00 0.09 0.00 0.00 57.88 56.37 3i4x h LEU 395 Cb 0.84 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.31 3i4x h LEU 395 CO 0.00 1.34 0.31 -1.00 0.09 0.00 0.00 178.44 179.18 3i4x s HIS 396 N -2.40 2.94 -0.07 1.13 3.76 -1.26 -0.06 115.29 119.33 3i4x s HIS 396 Ca -0.14 -0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 54.34 3i4x s HIS 396 Cb 0.00 -3.76 -0.29 0.00 1.11 0.00 0.00 32.58 29.65 3i4x s HIS 396 CO 0.81 -1.15 0.90 0.00 -0.85 0.00 0.00 174.74 174.45 3i4x h ALA 397 N 9.12 -0.04 -2.41 -1.40 0.00 -1.19 -2.51 119.26 120.82 3i4x h ALA 397 Ca -0.26 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 53.94 3i4x h ALA 397 Cb 1.08 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 3i4x h ALA 397 CO 1.01 0.25 -0.13 0.71 0.00 0.00 0.00 179.25 181.10 3i4x s TYR 398 N -2.52 -0.31 -0.11 0.00 1.51 -1.21 -2.38 117.35 112.34 3i4x s TYR 398 Ca -0.15 0.43 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 3i4x s TYR 398 Cb 0.00 0.20 0.00 0.00 -0.11 0.00 0.00 41.96 42.05 3i4x s TYR 398 CO 0.79 -0.49 -0.22 0.42 -1.11 0.00 0.00 175.55 174.93 3i4x s ILE 399 N -1.66 1.98 0.17 2.71 1.01 -0.14 -1.08 121.20 124.19 3i4x s ILE 399 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.59 3i4x s ILE 399 Cb -0.03 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3i4x s ILE 399 CO 0.03 0.54 0.34 -0.94 0.00 0.00 0.00 174.94 174.91 3i4x s SER 400 N 0.55 6.37 -0.09 3.58 1.04 0.24 0.10 113.70 125.49 3i4x s SER 400 Ca -0.14 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.54 3i4x s SER 400 Cb -0.17 -1.97 0.04 0.00 0.10 0.00 0.00 66.02 64.02 3i4x s SER 400 CO 0.04 0.01 0.23 0.12 0.98 0.00 0.00 173.24 174.62 3i4x s PHE 401 N -1.79 -0.29 0.30 5.02 5.36 0.10 -3.12 117.98 123.57 3i4x s PHE 401 Ca 0.37 0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 57.00 3i4x s PHE 401 Cb -0.11 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 3i4x s PHE 401 CO 0.29 -0.19 0.41 -1.54 -1.46 0.00 0.00 175.22 172.73 3i4x s SER 402 N 0.85 0.68 -0.31 6.13 1.04 -0.79 0.03 113.70 121.35 3i4x s SER 402 Ca -0.06 -1.39 -0.02 0.00 0.48 0.00 0.00 55.95 54.97 3i4x s SER 402 Cb -0.07 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.77 3i4x s SER 402 CO -0.05 -1.18 0.22 -0.47 0.98 0.00 0.00 173.24 172.73 3i4x s TYR 403 N -3.43 0.06 -0.13 5.02 5.04 -1.26 -1.02 117.35 121.63 3i4x s TYR 403 Ca 0.31 -0.76 0.03 0.00 -2.44 0.00 0.00 57.07 54.21 3i4x s TYR 403 Cb 0.01 -0.71 0.01 0.00 0.35 0.00 0.00 41.96 41.62 3i4x s TYR 403 CO 0.18 -0.87 -0.21 1.03 -1.34 0.00 0.00 175.55 174.33 3i4x s ARG 404 N 1.96 2.90 -1.42 4.97 0.52 -0.46 -4.55 118.95 122.87 3i4x s ARG 404 Ca 0.11 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3i4x s ARG 404 Cb -0.16 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.00 3i4x s ARG 404 CO -0.27 -0.00 0.65 -0.25 0.02 0.00 0.00 175.30 175.45 3i4x n ASP 405 N 4.03 -1.66 -2.15 0.23 8.00 -1.26 -0.71 116.55 123.03 3i4x n ASP 405 Ca -0.20 -0.90 -0.21 0.00 0.71 0.00 0.00 54.79 54.19 3i4x n ASP 405 Cb 0.52 -3.52 -0.03 0.00 -0.02 0.00 0.00 41.12 38.06 3i4x n ASP 405 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i4x n ARG 406 N -4.40 -1.62 -4.20 -1.24 5.12 -1.26 -4.96 116.66 104.09 3i4x n ARG 406 Ca -0.21 1.08 -0.29 0.00 -1.93 0.00 0.00 57.85 56.50 3i4x n ARG 406 Cb 0.64 -5.66 -0.17 0.00 -1.16 0.00 0.00 32.46 26.12 3i4x n ARG 406 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i4x s THR 407 N -2.95 1.42 0.23 0.55 2.01 0.11 -5.10 115.64 111.91 3i4x s THR 407 Ca 0.00 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 3i4x s THR 407 Cb 0.00 -1.33 -0.11 0.00 0.01 0.00 0.00 72.50 71.07 3i4x s THR 407 CO 0.00 0.43 1.63 -2.84 -0.69 0.00 0.00 174.62 173.15 3i4x s PRO 408 N 1.28 4.15 -0.11 4.92 0.02 -1.26 -1.35 135.00 142.65 3i4x s PRO 408 Ca -0.01 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 3i4x s PRO 408 Cb -0.14 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.33 3i4x s PRO 408 CO -0.06 -0.66 -0.08 -0.47 -0.33 0.00 0.00 177.00 175.40 3i4x s TYR 409 N 0.70 1.47 -0.03 6.54 5.04 -0.19 -4.82 117.35 126.06 3i4x s TYR 409 Ca 0.69 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 3i4x s TYR 409 Cb -0.47 -1.21 0.03 0.00 0.35 0.00 0.00 41.96 40.66 3i4x s TYR 409 CO 0.38 -0.49 0.01 -1.17 -1.34 0.00 0.00 175.55 172.94 3i4x s LEU 410 N 1.60 1.10 0.13 6.97 0.20 -1.26 -1.88 118.68 125.55 3i4x s LEU 410 Ca 0.03 0.00 0.09 0.00 0.69 0.00 0.00 54.13 54.94 3i4x s LEU 410 Cb -0.13 -0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.44 3i4x s LEU 410 CO -0.07 -0.12 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.22 3i4x s SER 411 N 1.07 2.77 -0.06 3.68 0.01 -1.18 -0.18 113.70 119.81 3i4x s SER 411 Ca -0.09 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.45 3i4x s SER 411 Cb -0.13 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 3i4x s SER 411 CO -0.02 0.06 -0.15 0.68 0.41 0.00 0.00 173.24 174.22 3i4x s VAL 412 N -1.37 3.01 -0.23 3.43 -7.23 -0.49 -0.59 120.40 116.92 3i4x s VAL 412 Ca 0.11 -0.73 -0.05 0.00 -1.81 0.00 0.00 61.98 59.50 3i4x s VAL 412 Cb -0.09 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 3i4x s VAL 412 CO 0.05 0.58 -0.01 -0.31 -0.31 0.00 0.00 175.10 175.10 3i4x s TYR 413 N -0.51 3.00 -0.03 2.82 2.02 -0.24 -1.43 117.35 122.98 3i4x s TYR 413 Ca 0.07 -0.81 0.08 0.00 -0.37 0.00 0.00 57.07 56.03 3i4x s TYR 413 Cb -0.12 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 3i4x s TYR 413 CO 0.01 -0.50 -0.26 -0.51 -1.57 0.00 0.00 175.55 172.73 3i4x s LEU 414 N 1.51 2.05 0.11 -1.29 1.43 -0.81 -0.73 118.68 120.95 3i4x s LEU 414 Ca 0.06 -0.48 -0.36 0.00 -1.03 0.00 0.00 54.13 52.32 3i4x s LEU 414 Cb -0.15 -1.34 -0.16 0.00 0.03 0.00 0.00 46.19 44.57 3i4x s LEU 414 CO -0.01 0.30 1.34 1.67 0.23 0.00 0.00 176.35 179.88 3i4x n GLN 415 N 2.56 1.28 -3.35 1.70 -0.06 0.92 -3.94 117.38 116.49 3i4x n GLN 415 Ca -0.16 0.46 -0.26 0.00 -2.00 0.00 0.00 57.00 55.04 3i4x n GLN 415 Cb 0.51 -2.10 -0.08 0.00 -4.06 0.00 0.00 30.24 24.51 3i4x n GLN 415 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3i4x n SER 416 N 2.55 0.77 -3.64 1.69 7.64 -1.26 -4.93 113.62 116.43 3i4x n SER 416 Ca 0.18 -2.76 -0.06 0.00 1.01 0.00 0.00 58.87 57.24 3i4x n SER 416 Cb 0.21 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 62.71 3i4x n SER 416 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3i4x s PHE 417 N -1.05 -0.85 -1.14 1.43 5.36 -1.26 -4.80 117.98 115.67 3i4x s PHE 417 Ca 0.34 1.74 -0.06 0.00 -0.96 0.00 0.00 56.93 57.99 3i4x s PHE 417 Cb 0.11 0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 43.26 3i4x s PHE 417 CO -0.13 -0.42 0.88 0.39 -1.46 0.00 0.00 175.22 174.48 3i4x n GLU 418 N 3.89 -3.41 -2.90 10.12 1.02 -0.92 -5.00 120.64 123.43 3i4x n GLU 418 Ca -0.19 0.76 -0.18 0.00 -0.02 0.00 0.00 57.16 57.53 3i4x n GLU 418 Cb 0.58 -5.46 0.02 0.00 -0.02 0.00 0.00 31.44 26.56 3i4x n GLU 418 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i4x s THR 419 N -3.44 2.83 0.00 2.62 -4.23 -0.14 -4.54 115.64 108.74 3i4x s THR 419 Ca 0.29 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3i4x s THR 419 Cb -0.06 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3i4x s THR 419 CO 0.77 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 3i4x n GLY 420 N -2.03 3.26 0.19 3.99 0.00 0.62 -2.25 105.19 108.96 3i4x n GLY 420 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3i4x n GLY 420 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i4x n ASP 421 N 2.75 0.45 -0.01 1.61 8.00 -1.26 -4.19 116.55 123.90 3i4x n ASP 421 Ca 0.00 -2.01 -0.09 0.00 0.71 0.00 0.00 54.79 53.40 3i4x n ASP 421 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3i4x n ASP 421 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3i4x h TRP 422 N 0.19 -0.60 -0.16 1.24 2.91 -1.71 -1.52 115.95 116.30 3i4x h TRP 422 Ca 0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.10 3i4x h TRP 422 Cb 0.18 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 3i4x h TRP 422 CO 0.03 -0.31 0.15 0.00 -1.03 0.00 0.00 178.44 177.28 3i4x h ALA 423 N 0.70 1.91 -0.02 2.65 0.00 -1.80 0.72 119.26 123.43 3i4x h ALA 423 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i4x h ALA 423 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i4x h ALA 423 CO -0.31 -0.23 -0.11 1.33 0.00 0.00 0.00 179.25 179.92 3i4x n VAL 424 N -4.07 0.00 0.54 0.00 0.24 -1.12 -5.15 118.33 108.76 3i4x n VAL 424 Ca 0.01 -0.44 0.06 0.00 -2.04 0.00 0.00 64.34 61.92 3i4x n VAL 424 Cb 0.27 1.28 -0.04 0.00 -1.47 0.00 0.00 33.84 33.88 3i4x n VAL 424 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i4x n ALA 425 N 0.53 3.29 0.00 2.33 0.00 0.24 -5.15 120.51 121.75 3i4x n ALA 425 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3i4x n ALA 425 Cb 0.37 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3i4x n ALA 425 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4x n GLY 452 N 1.16 -1.77 0.36 0.00 0.00 -1.26 -5.06 105.19 98.63 3i4x n GLY 452 Ca 0.03 0.61 0.06 0.00 0.00 0.00 0.00 46.02 46.72 3i4x n GLY 452 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4x n VAL 453 N 0.00 0.22 -1.36 1.61 0.24 -1.26 -5.21 118.33 112.57 3i4x n VAL 453 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3i4x n VAL 453 Cb 0.00 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 3i4x n VAL 453 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47