#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4z n LYS 2 N 0.00 1.53 -4.26 0.03 4.81 -1.26 -4.98 118.16 114.03 3i4z n LYS 2 Ca 0.00 0.54 -0.23 0.00 -0.87 0.00 0.00 58.31 57.75 3i4z n LYS 2 Cb 0.00 -2.05 -0.07 0.00 0.02 0.00 0.00 35.03 32.92 3i4z n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i4z s ALA 3 N -0.47 3.24 0.41 3.14 0.00 -1.26 -5.10 121.76 121.73 3i4z s ALA 3 Ca 0.66 -1.77 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 3i4z s ALA 3 Cb -0.73 -0.67 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 3i4z s ALA 3 CO 0.54 0.17 1.28 0.00 0.00 0.00 0.00 175.76 177.75 3i4z n ALA 4 N -0.96 1.33 -3.80 0.00 0.00 -1.26 -5.02 120.51 110.79 3i4z n ALA 4 Ca -0.05 0.27 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 3i4z n ALA 4 Cb 0.60 -2.27 -0.17 0.00 0.00 0.00 0.00 19.45 17.61 3i4z n ALA 4 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i4z s ASN 5 N -0.51 1.72 0.62 0.00 3.84 -1.26 -4.33 114.94 115.02 3i4z s ASN 5 Ca 0.60 -0.15 0.39 0.00 0.21 0.00 0.00 52.86 53.92 3i4z s ASN 5 Cb -0.51 -0.55 2.09 0.00 -0.55 0.00 0.00 41.25 41.73 3i4z s ASN 5 CO 0.58 -0.17 2.27 0.00 -2.79 0.00 0.00 177.10 177.00 3i4z h ALA 6 N 8.22 1.10 0.00 1.71 0.00 -1.44 -0.73 119.26 128.13 3i4z h ALA 6 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i4z h ALA 6 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i4z h ALA 6 CO 0.31 0.02 0.00 0.43 0.00 0.00 0.00 179.25 180.01 3i4z n SER 7 N -3.25 0.21 -0.06 0.00 7.64 -1.26 -1.70 113.62 115.20 3i4z n SER 7 Ca -0.02 0.56 0.14 0.00 1.01 0.00 0.00 58.87 60.56 3i4z n SER 7 Cb 0.13 -0.60 0.54 0.00 -1.01 0.00 0.00 64.21 63.27 3i4z n SER 7 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i4z n SER 8 N -1.74 0.33 -4.70 6.43 3.41 -0.28 -4.75 113.62 112.33 3i4z n SER 8 Ca 0.02 -0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.00 3i4z n SER 8 Cb 0.13 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3i4z n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4z n ALA 9 N -1.22 2.30 -0.25 7.33 0.00 -0.69 -4.87 120.51 123.11 3i4z n ALA 9 Ca 0.11 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 3i4z n ALA 9 Cb 0.30 -2.56 0.05 0.00 0.00 0.00 0.00 19.45 17.25 3i4z n ALA 9 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i4z h GLU 10 N 7.91 0.99 -0.87 0.00 4.81 -1.91 -1.85 114.58 123.66 3i4z h GLU 10 Ca -0.45 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 3i4z h GLU 10 Cb 1.22 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 3i4z h GLU 10 CO 0.95 0.77 0.45 0.00 -0.73 0.00 0.00 179.01 180.44 3i4z h ALA 11 N 1.17 1.15 -0.23 2.92 0.00 -1.95 0.13 119.26 122.45 3i4z h ALA 11 Ca 0.24 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i4z h ALA 11 Cb 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3i4z h ALA 11 CO -0.03 0.66 0.08 -0.92 0.00 0.00 0.00 179.25 179.03 3i4z h TYR 12 N 1.23 0.14 -0.45 0.00 3.20 -1.74 -1.31 116.97 118.04 3i4z h TYR 12 Ca 0.30 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 3i4z h TYR 12 Cb 0.07 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3i4z h TYR 12 CO 0.01 0.06 -0.04 0.00 -1.64 0.00 0.00 178.16 176.56 3i4z h ARG 13 N 0.18 0.81 -0.12 1.82 3.08 -0.64 -1.64 114.38 117.87 3i4z h ARG 13 Ca 0.10 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3i4z h ARG 13 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3i4z h ARG 13 CO -0.11 0.89 0.01 0.28 -1.07 0.00 0.00 179.97 179.97 3i4z h VAL 14 N 0.65 1.24 -0.25 2.04 2.07 -0.72 -2.69 116.25 118.59 3i4z h VAL 14 Ca 0.12 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3i4z h VAL 14 Cb 0.55 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3i4z h VAL 14 CO 0.03 0.22 -0.05 -0.07 0.02 0.00 0.00 177.57 177.73 3i4z h LEU 15 N -0.04 0.36 -1.75 2.57 3.38 -1.26 -0.98 115.31 117.60 3i4z h LEU 15 Ca 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i4z h LEU 15 Cb 0.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i4z h LEU 15 CO 0.00 0.46 -0.10 0.28 0.09 0.00 0.00 178.44 179.18 3i4z h SER 16 N 0.37 0.03 1.25 -0.43 0.02 -1.09 -1.07 113.55 112.64 3i4z h SER 16 Ca 0.08 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3i4z h SER 16 Cb 0.33 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3i4z h SER 16 CO 0.01 0.14 -0.24 0.03 -1.14 0.00 0.00 176.83 175.63 3i4z h ARG 17 N 0.04 0.00 0.00 3.45 3.08 -0.86 -3.35 114.38 116.73 3i4z h ARG 17 Ca 0.01 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.70 3i4z h ARG 17 Cb 0.20 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3i4z h ARG 17 CO 0.01 0.24 -2.27 0.00 -1.07 0.00 0.00 179.97 176.89 3i4z n ALA 18 N -2.19 1.49 -1.76 0.04 0.00 -0.62 -5.02 120.51 112.44 3i4z n ALA 18 Ca 0.01 -1.22 -0.39 0.00 0.00 0.00 0.00 53.44 51.84 3i4z n ALA 18 Cb 0.52 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 3i4z n ALA 18 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i4z s PHE 19 N -2.51 3.65 -0.04 0.00 0.08 -0.50 -5.04 117.98 113.62 3i4z s PHE 19 Ca -0.10 1.76 -0.22 0.00 0.12 0.00 0.00 56.93 58.50 3i4z s PHE 19 Cb 0.06 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 3i4z s PHE 19 CO 0.82 -0.16 0.64 0.50 -0.10 0.00 0.00 175.22 176.93 3i4z s ARG 20 N -1.68 4.39 -0.12 0.44 3.52 -1.26 -5.03 118.95 119.22 3i4z s ARG 20 Ca 0.47 0.80 0.01 0.00 -0.13 0.00 0.00 55.73 56.88 3i4z s ARG 20 Cb -0.26 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 3i4z s ARG 20 CO 0.33 0.21 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.81 3i4z s PHE 21 N 0.34 2.02 -2.71 5.12 0.08 -1.26 -4.99 117.98 116.57 3i4z s PHE 21 Ca 0.34 -0.99 0.24 0.00 0.12 0.00 0.00 56.93 56.64 3i4z s PHE 21 Cb -0.18 -1.46 0.35 0.00 -0.57 0.00 0.00 43.02 41.15 3i4z s PHE 21 CO 0.17 -0.51 1.35 -0.25 -0.10 0.00 0.00 175.22 175.88 3i4z n ASP 22 N 4.29 3.18 -3.77 1.36 9.92 -1.26 -4.91 116.55 125.36 3i4z n ASP 22 Ca -0.19 -1.98 -0.13 0.00 -0.53 0.00 0.00 54.79 51.96 3i4z n ASP 22 Cb 0.51 -0.13 -0.14 0.00 -0.64 0.00 0.00 41.12 40.72 3i4z n ASP 22 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3i4z s ASN 23 N -1.73 -0.14 0.26 -2.24 3.84 -1.26 -5.05 114.94 108.63 3i4z s ASN 23 Ca 0.34 0.31 0.01 0.00 0.21 0.00 0.00 52.86 53.73 3i4z s ASN 23 Cb 0.21 0.24 0.35 0.00 -0.55 0.00 0.00 41.25 41.51 3i4z s ASN 23 CO 0.31 -0.11 1.69 -0.08 -2.79 0.00 0.00 177.10 176.12 3i4z h GLU 24 N 6.77 0.54 -0.94 0.43 4.57 -2.00 -2.90 114.58 121.05 3i4z h GLU 24 Ca -0.36 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3i4z h GLU 24 Cb 1.16 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 3i4z h GLU 24 CO 0.42 0.75 0.62 -0.44 -1.18 0.00 0.00 179.01 179.18 3i4z h ASP 25 N 0.47 1.06 -0.16 1.04 3.32 -1.96 -1.16 116.42 119.03 3i4z h ASP 25 Ca 0.07 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 3i4z h ASP 25 Cb 0.70 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3i4z h ASP 25 CO 0.05 0.76 -0.47 1.56 -1.72 0.00 0.00 179.24 179.43 3i4z h GLN 26 N 1.25 0.73 -0.43 3.56 4.20 -1.86 -1.06 115.11 121.50 3i4z h GLN 26 Ca 0.35 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3i4z h GLN 26 Cb -0.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3i4z h GLN 26 CO -0.08 1.04 0.22 -0.22 -0.67 0.00 0.00 178.83 179.11 3i4z h LYS 27 N 0.58 0.62 -0.45 1.46 3.64 -1.30 -0.33 116.57 120.79 3i4z h LYS 27 Ca 0.03 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3i4z h LYS 27 Cb 1.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 3i4z h LYS 27 CO 0.10 0.52 0.23 -0.07 -2.27 0.00 0.00 179.45 177.96 3i4z h LEU 28 N 0.56 0.57 -0.65 5.20 3.38 -1.10 -1.52 115.31 121.75 3i4z h LEU 28 Ca 0.15 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i4z h LEU 28 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3i4z h LEU 28 CO -0.02 0.51 0.43 -0.50 0.09 0.00 0.00 178.44 178.95 3i4z h TRP 29 N 0.58 0.82 0.04 1.13 4.06 -0.94 1.00 115.95 122.64 3i4z h TRP 29 Ca 0.16 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.14 3i4z h TRP 29 Cb 0.08 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 27.94 3i4z h TRP 29 CO -0.02 0.51 -0.14 2.35 -3.56 0.00 0.00 178.44 177.58 3i4z h TRP 30 N 0.88 -0.37 0.00 0.49 2.91 -0.82 -2.14 115.95 116.89 3i4z h TRP 30 Ca 0.24 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 3i4z h TRP 30 Cb -0.09 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3i4z h TRP 30 CO -0.03 -0.22 -0.40 0.45 -1.03 0.00 0.00 178.44 177.22 3i4z h HIS 31 N -0.26 0.00 -0.40 2.65 3.86 -0.85 0.84 115.15 120.99 3i4z h HIS 31 Ca 0.03 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3i4z h HIS 31 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3i4z h HIS 31 CO -0.18 0.40 -0.32 1.03 0.86 0.00 0.00 177.93 179.72 3i4z h SER 32 N 0.00 0.93 0.00 2.45 0.87 -0.64 -3.39 113.55 113.77 3i4z h SER 32 Ca -0.00 -0.39 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 3i4z h SER 32 Cb 0.87 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3i4z h SER 32 CO 0.05 1.17 -1.69 0.35 -0.53 0.00 0.00 176.83 176.18 3i4z n THR 33 N -4.08 0.69 0.12 2.23 -2.24 -0.82 -1.22 114.28 108.96 3i4z n THR 33 Ca -0.01 -0.41 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 3i4z n THR 33 Cb 0.50 -0.75 0.42 0.00 -2.10 0.00 0.00 70.33 68.40 3i4z n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4z h ALA 34 N 0.45 1.59 0.05 6.98 0.00 -1.02 -2.48 119.26 124.82 3i4z h ALA 34 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i4z h ALA 34 Cb 1.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3i4z h ALA 34 CO 0.01 0.30 -0.05 -1.35 0.00 0.00 0.00 179.25 178.16 3i4z h PRO 35 N 0.25 -0.11 -0.40 0.00 0.11 -1.78 0.21 132.00 130.28 3i4z h PRO 35 Ca 0.06 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 3i4z h PRO 35 Cb 0.27 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3i4z h PRO 35 CO 0.01 -0.07 0.24 1.98 -0.21 0.00 0.00 178.00 179.95 3i4z h MET 36 N -0.11 0.55 -0.03 1.05 1.85 -1.80 -0.45 114.93 115.99 3i4z h MET 36 Ca 0.01 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3i4z h MET 36 Cb 0.11 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 3i4z h MET 36 CO -0.02 0.41 0.02 0.35 -0.40 0.00 0.00 176.91 177.27 3i4z h PHE 37 N 0.53 0.04 -0.38 1.39 -0.00 -1.16 0.20 116.94 117.55 3i4z h PHE 37 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.11 3i4z h PHE 37 Cb 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 3i4z h PHE 37 CO -0.03 0.03 0.21 0.00 -0.00 0.00 0.00 178.31 178.52 3i4z h ALA 38 N 1.00 0.49 -0.81 2.41 0.00 -0.46 -0.61 119.26 121.28 3i4z h ALA 38 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i4z h ALA 38 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3i4z h ALA 38 CO -0.00 0.02 0.35 -0.22 0.00 0.00 0.00 179.25 179.40 3i4z h LYS 39 N 0.49 1.19 -0.25 0.00 1.63 -0.89 0.44 116.57 119.17 3i4z h LYS 39 Ca 0.13 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3i4z h LYS 39 Cb 0.06 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 3i4z h LYS 39 CO -0.02 0.94 0.16 1.98 -3.45 0.00 0.00 179.45 179.06 3i4z h MET 40 N 1.17 0.34 -0.63 1.90 4.05 -0.26 -0.40 114.93 121.09 3i4z h MET 40 Ca 0.27 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3i4z h MET 40 Cb 0.17 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 3i4z h MET 40 CO -0.03 0.25 0.40 -0.07 0.23 0.00 0.00 176.91 177.69 3i4z h LEU 41 N 0.33 0.68 -0.13 3.39 3.38 -0.78 -1.35 115.31 120.83 3i4z h LEU 41 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i4z h LEU 41 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3i4z h LEU 41 CO -0.02 0.48 0.07 -0.33 0.09 0.00 0.00 178.44 178.73 3i4z h GLU 42 N 0.81 0.15 0.00 1.13 5.08 -0.69 -1.86 114.58 119.20 3i4z h GLU 42 Ca 0.25 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3i4z h GLU 42 Cb -0.03 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3i4z h GLU 42 CO -0.08 0.10 -0.31 1.15 -1.00 0.00 0.00 179.01 178.87 3i4z h THR 43 N 0.15 0.86 -0.10 1.13 2.02 -0.87 -1.93 112.91 114.18 3i4z h THR 43 Ca 0.05 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3i4z h THR 43 Cb -0.00 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3i4z h THR 43 CO -0.03 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.16 3i4z n ALA 44 N -2.32 2.50 -2.05 6.16 0.00 -0.53 -4.90 120.51 119.38 3i4z n ALA 44 Ca -0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 3i4z n ALA 44 Cb 0.42 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 3i4z n ALA 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i4z n ASN 45 N -0.23 -3.97 -4.77 0.00 5.15 -0.72 -4.89 115.26 105.82 3i4z n ASN 45 Ca 0.06 0.05 -0.40 0.00 -0.60 0.00 0.00 54.58 53.69 3i4z n ASN 45 Cb 0.10 -3.05 -0.02 0.00 -0.53 0.00 0.00 39.78 36.28 3i4z n ASN 45 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3i4z s TYR 46 N -2.57 3.11 0.82 1.20 1.51 -0.72 -5.00 117.35 115.69 3i4z s TYR 46 Ca 0.00 1.49 -0.10 0.00 -1.01 0.00 0.00 57.07 57.44 3i4z s TYR 46 Cb 0.00 -3.56 0.09 0.00 -0.11 0.00 0.00 41.96 38.38 3i4z s TYR 46 CO 0.00 -1.58 1.11 0.95 -1.11 0.00 0.00 175.55 174.92 3i4z s THR 47 N -1.21 2.89 0.21 -0.71 -4.23 -1.26 -4.73 115.64 106.59 3i4z s THR 47 Ca 0.51 0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 61.20 3i4z s THR 47 Cb -0.37 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 71.01 3i4z s THR 47 CO 0.48 -0.38 1.87 0.74 -0.54 0.00 0.00 174.62 176.79 3i4z h THR 48 N -1.39 1.17 -0.57 3.99 2.02 -1.99 -0.34 112.91 115.79 3i4z h THR 48 Ca -0.43 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 3i4z h THR 48 Cb 1.24 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3i4z h THR 48 CO 0.48 0.18 0.19 -0.65 0.37 0.00 0.00 175.52 176.09 3i4z h PRO 49 N 0.98 0.86 -0.64 6.66 0.11 -2.00 -1.75 132.00 136.21 3i4z h PRO 49 Ca 0.28 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 3i4z h PRO 49 Cb -0.08 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 3i4z h PRO 49 CO -0.07 0.73 0.10 0.00 -0.21 0.00 0.00 178.00 178.55 3i4z h GLN 51 N 0.98 -0.11 -0.39 0.00 4.20 -0.64 -0.76 115.11 118.39 3i4z h GLN 51 Ca 0.20 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3i4z h GLN 51 Cb 0.44 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3i4z h GLN 51 CO 0.01 -0.07 0.25 1.88 -0.67 0.00 0.00 178.83 180.23 3i4z h TYR 52 N -0.12 0.49 -0.05 2.96 0.05 -1.14 -1.94 116.97 117.23 3i4z h TYR 52 Ca 0.06 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3i4z h TYR 52 Cb 0.20 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3i4z h TYR 52 CO -0.19 0.32 -0.13 0.37 -1.05 0.00 0.00 178.16 177.48 3i4z h GLN 53 N 0.53 -0.18 -0.20 4.88 4.15 -0.66 -0.52 115.11 123.10 3i4z h GLN 53 Ca 0.14 0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.42 3i4z h GLN 53 Cb -0.05 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3i4z h GLN 53 CO -0.03 -0.12 -0.53 1.88 -1.93 0.00 0.00 178.83 178.10 3i4z h TYR 54 N -0.19 0.71 -0.19 3.99 0.05 -1.09 -1.29 116.97 118.96 3i4z h TYR 54 Ca 0.06 -0.25 -0.10 0.00 0.05 0.00 0.00 58.73 58.50 3i4z h TYR 54 Cb 0.27 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3i4z h TYR 54 CO -0.21 0.98 -0.31 -0.07 -1.05 0.00 0.00 178.16 177.50 3i4z h LEU 55 N 0.44 0.38 -0.11 3.88 3.38 -1.17 -1.56 115.31 120.56 3i4z h LEU 55 Ca 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3i4z h LEU 55 Cb 1.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3i4z h LEU 55 CO 0.10 0.68 -0.10 0.40 0.09 0.00 0.00 178.44 179.61 3i4z h ILE 56 N 0.33 1.35 -0.71 1.22 2.04 -0.82 0.18 117.51 121.10 3i4z h ILE 56 Ca 0.04 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.69 3i4z h ILE 56 Cb 0.71 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 3i4z h ILE 56 CO 0.05 0.35 0.45 0.74 0.00 0.00 0.00 178.15 179.75 3i4z h THR 57 N -0.13 1.11 0.02 -0.27 2.02 -1.20 0.20 112.91 114.66 3i4z h THR 57 Ca 0.02 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.92 3i4z h THR 57 Cb 0.61 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3i4z h THR 57 CO 0.03 0.16 -0.18 0.22 0.37 0.00 0.00 175.52 176.12 3i4z h TYR 58 N 0.89 -0.46 -0.41 3.16 3.20 -1.19 0.24 116.97 122.39 3i4z h TYR 58 Ca 0.28 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3i4z h TYR 58 Cb -0.00 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3i4z h TYR 58 CO -0.04 -0.25 0.19 -0.22 -1.64 0.00 0.00 178.16 176.20 3i4z h LYS 59 N -0.30 0.60 0.17 1.82 3.11 -0.38 -0.63 116.57 120.96 3i4z h LYS 59 Ca 0.05 -0.09 -0.30 0.00 -2.81 0.00 0.00 60.65 57.50 3i4z h LYS 59 Cb 0.36 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.50 3i4z h LYS 59 CO -0.15 0.53 -1.33 0.93 -2.81 0.00 0.00 179.45 176.62 3i4z h GLU 60 N 0.53 0.35 0.00 1.90 5.08 -0.54 -3.33 114.58 118.57 3i4z h GLU 60 Ca 0.14 -0.60 -0.25 0.00 -1.00 0.00 0.00 59.36 57.64 3i4z h GLU 60 Cb 0.14 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 3i4z h GLU 60 CO -0.02 1.29 -2.17 0.00 -1.00 0.00 0.00 179.01 177.11 3i4z n VAL 62 N -2.56 1.03 -0.33 0.00 0.31 -0.46 -4.54 118.33 111.79 3i4z n VAL 62 Ca -0.23 -0.27 0.10 0.00 -0.01 0.00 0.00 64.34 63.93 3i4z n VAL 62 Cb 0.96 -1.72 0.28 0.00 -0.91 0.00 0.00 33.84 32.44 3i4z n VAL 62 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3i4z h ILE 63 N -0.63 0.72 0.00 2.52 2.04 -1.28 0.19 117.51 121.06 3i4z h ILE 63 Ca -0.47 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3i4z h ILE 63 Cb 1.43 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3i4z h ILE 63 CO -0.28 0.13 0.00 -2.65 0.00 0.00 0.00 178.15 175.35 3i4z n PRO 64 N -4.81 0.02 -0.47 2.37 -0.02 -1.26 -1.40 135.00 129.42 3i4z n PRO 64 Ca 0.21 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 3i4z n PRO 64 Cb 0.51 -1.53 0.31 0.00 -0.02 0.00 0.00 33.50 32.77 3i4z n PRO 64 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i4z n SER 65 N -1.56 4.23 -0.77 2.55 7.64 0.64 -4.47 113.62 121.88 3i4z n SER 65 Ca 0.03 -2.29 0.13 0.00 1.01 0.00 0.00 58.87 57.74 3i4z n SER 65 Cb 0.14 -0.50 0.29 0.00 -1.01 0.00 0.00 64.21 63.13 3i4z n SER 65 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i4z n LEU 66 N 1.10 2.40 0.00 -3.43 4.77 -0.50 -0.03 117.00 121.31 3i4z n LEU 66 Ca 0.23 -0.85 0.01 0.00 -0.03 0.00 0.00 56.01 55.38 3i4z n LEU 66 Cb 0.75 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3i4z n LEU 66 CO 0.19 0.42 -0.02 0.61 -1.33 0.00 0.00 177.39 177.27 3i4z n GLY 67 N 1.29 -1.87 3.70 -0.72 0.00 -1.26 -4.84 105.19 101.49 3i4z n GLY 67 Ca 0.17 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3i4z n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4z s TYR 69 N -2.35 3.11 0.04 0.00 5.04 -1.26 -4.92 117.35 117.01 3i4z s TYR 69 Ca 0.70 0.90 -0.30 0.00 -2.44 0.00 0.00 57.07 55.93 3i4z s TYR 69 Cb -0.25 -3.68 -0.06 0.00 0.35 0.00 0.00 41.96 38.32 3i4z s TYR 69 CO 0.52 -2.41 1.28 -2.14 -1.34 0.00 0.00 175.55 171.46 3i4z s PRO 70 N 1.52 4.36 0.19 4.97 0.02 -1.26 -5.02 135.00 139.78 3i4z s PRO 70 Ca 0.65 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 63.51 3i4z s PRO 70 Cb -0.35 -3.42 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 3i4z s PRO 70 CO 0.29 -0.40 0.13 0.95 -0.33 0.00 0.00 177.00 177.64 3i4z s THR 71 N 1.57 0.02 -1.01 0.99 -4.23 -1.26 -5.04 115.64 106.67 3i4z s THR 71 Ca 0.61 -1.97 0.27 0.00 -1.18 0.00 0.00 61.69 59.42 3i4z s THR 71 Cb -0.31 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.24 3i4z s THR 71 CO 0.28 -0.07 1.67 0.59 -0.54 0.00 0.00 174.62 176.54 3i4z n ASN 72 N -0.24 0.26 -0.51 3.99 3.02 -1.26 -4.16 115.26 116.36 3i4z n ASN 72 Ca 0.01 0.10 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3i4z n ASN 72 Cb 0.66 -0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.80 3i4z n ASN 72 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3i4z n SER 73 N -1.49 1.97 -4.06 6.41 3.41 -1.26 -4.92 113.62 113.67 3i4z n SER 73 Ca 0.06 -1.47 -0.10 0.00 -0.26 0.00 0.00 58.87 57.10 3i4z n SER 73 Cb 0.34 0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.54 3i4z n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4z s ALA 74 N -2.41 0.49 0.43 7.33 0.00 -1.26 -5.14 121.76 121.19 3i4z s ALA 74 Ca 0.21 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 3i4z s ALA 74 Cb 0.19 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 3i4z s ALA 74 CO 0.53 -0.16 1.39 -2.30 0.00 0.00 0.00 175.76 175.22 3i4z n PRO 75 N 1.04 2.23 -3.90 0.00 -0.02 -1.26 -4.71 135.00 128.38 3i4z n PRO 75 Ca -0.20 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3i4z n PRO 75 Cb 0.57 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 3i4z n PRO 75 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i4z s ARG 76 N -2.30 0.89 -0.03 -0.52 1.70 -1.26 -5.00 118.95 112.43 3i4z s ARG 76 Ca 0.59 -1.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.53 3i4z s ARG 76 Cb -0.48 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 3i4z s ARG 76 CO 0.59 -0.29 1.05 -0.46 -1.08 0.00 0.00 175.30 175.11 3i4z s TRP 77 N -3.89 3.52 -0.35 5.89 -0.11 -1.26 -5.01 118.94 117.73 3i4z s TRP 77 Ca 0.08 1.55 -0.18 0.00 1.22 0.00 0.00 56.10 58.77 3i4z s TRP 77 Cb 0.05 -3.22 -0.00 0.00 -1.50 0.00 0.00 33.47 28.80 3i4z s TRP 77 CO -0.09 -0.41 0.52 -0.51 -4.62 0.00 0.00 176.95 171.85 3i4z s LEU 78 N 1.49 4.36 0.08 5.86 1.43 -1.26 -4.82 118.68 125.81 3i4z s LEU 78 Ca 0.52 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 3i4z s LEU 78 Cb -0.22 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 3i4z s LEU 78 CO 0.24 -0.50 0.42 -0.55 0.23 0.00 0.00 176.35 176.19 3i4z s SER 79 N 1.77 6.69 0.10 2.29 0.15 -0.17 -4.38 113.70 120.15 3i4z s SER 79 Ca 0.19 0.85 0.16 0.00 0.70 0.00 0.00 55.95 57.85 3i4z s SER 79 Cb -0.15 -2.20 0.69 0.00 -1.71 0.00 0.00 66.02 62.64 3i4z s SER 79 CO 0.14 0.19 1.49 0.00 1.20 0.00 0.00 173.24 176.25 3i4z n ILE 80 N 1.02 1.09 -0.23 6.45 0.13 -1.26 -3.76 119.36 122.80 3i4z n ILE 80 Ca -0.08 0.32 -0.01 0.00 -1.10 0.00 0.00 62.75 61.87 3i4z n ILE 80 Cb 0.52 -1.18 0.19 0.00 -0.84 0.00 0.00 39.64 38.33 3i4z n ILE 80 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 3i4z h LEU 81 N 0.00 0.92 -8.75 9.51 6.46 -1.92 -3.44 115.31 118.09 3i4z h LEU 81 Ca 0.00 -0.07 -0.34 0.00 -0.12 0.00 0.00 57.88 57.36 3i4z h LEU 81 Cb 0.23 -0.23 -0.14 0.00 -0.73 0.00 0.00 40.66 39.78 3i4z h LEU 81 CO 0.00 0.73 -0.67 0.42 -0.62 0.00 0.00 178.44 178.30 3i4z s THR 82 N -5.73 0.94 0.32 1.05 -4.23 -1.25 -5.01 115.64 101.75 3i4z s THR 82 Ca -0.11 -2.02 0.24 0.00 -1.18 0.00 0.00 61.69 58.62 3i4z s THR 82 Cb 0.17 -2.16 0.24 0.00 1.34 0.00 0.00 72.50 72.10 3i4z s THR 82 CO 0.80 -0.47 1.96 0.03 -0.54 0.00 0.00 174.62 176.39 3i4z h ARG 83 N 2.62 0.00 -0.05 3.99 2.47 -1.87 -1.13 114.38 120.40 3i4z h ARG 83 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 3i4z h ARG 83 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3i4z h ARG 83 CO 0.64 0.20 0.00 0.66 0.56 0.00 0.00 179.97 182.02 3i4z n TYR 84 N -3.64 0.06 -0.99 3.04 4.01 -1.26 -0.51 117.16 117.88 3i4z n TYR 84 Ca -0.01 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3i4z n TYR 84 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3i4z n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i4z n GLY 85 N 1.09 0.54 3.80 2.72 0.00 -0.43 -4.74 105.19 108.17 3i4z n GLY 85 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3i4z n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4z s THR 86 N -2.27 4.24 -0.36 2.61 -4.23 -1.26 -1.00 115.64 113.37 3i4z s THR 86 Ca 0.00 1.58 0.05 0.00 -1.18 0.00 0.00 61.69 62.13 3i4z s THR 86 Cb 0.00 -3.75 0.50 0.00 1.34 0.00 0.00 72.50 70.60 3i4z s THR 86 CO 0.00 -0.12 1.58 -0.81 -0.54 0.00 0.00 174.62 174.72 3i4z n PRO 87 N -0.18 2.40 -3.78 3.99 -0.04 -1.26 -3.75 135.00 132.38 3i4z n PRO 87 Ca 0.05 -2.15 -0.13 0.00 -0.04 0.00 0.00 63.50 61.23 3i4z n PRO 87 Cb 0.52 -1.89 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 3i4z n PRO 87 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i4z s PHE 88 N -2.31 -0.28 -0.21 0.54 5.36 -1.26 -1.59 117.98 118.23 3i4z s PHE 88 Ca 0.40 0.67 -0.11 0.00 -0.96 0.00 0.00 56.93 56.93 3i4z s PHE 88 Cb 0.33 0.09 0.07 0.00 -0.34 0.00 0.00 43.02 43.16 3i4z s PHE 88 CO 0.09 -0.14 0.51 -2.00 -1.46 0.00 0.00 175.22 172.21 3i4z s GLU 89 N 0.29 0.49 0.40 10.12 2.12 -0.39 -4.63 118.70 127.10 3i4z s GLU 89 Ca -0.01 0.98 -0.16 0.00 0.36 0.00 0.00 54.97 56.14 3i4z s GLU 89 Cb -0.03 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.38 3i4z s GLU 89 CO -0.01 -0.17 0.84 -0.51 -0.54 0.00 0.00 175.26 174.87 3i4z s LEU 90 N 1.68 3.91 -0.00 2.70 1.43 -1.25 -1.02 118.68 126.12 3i4z s LEU 90 Ca -0.09 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.35 3i4z s LEU 90 Cb -0.08 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.89 3i4z s LEU 90 CO -0.15 -0.35 0.12 -0.94 0.23 0.00 0.00 176.35 175.26 3i4z s SER 91 N -2.58 0.03 -0.12 2.29 1.04 -0.16 -1.66 113.70 112.55 3i4z s SER 91 Ca 0.56 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.85 3i4z s SER 91 Cb -0.10 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.23 3i4z s SER 91 CO 0.22 -0.31 -0.20 -0.22 0.98 0.00 0.00 173.24 173.70 3i4z s LEU 92 N -1.17 1.99 -0.68 2.42 2.96 -0.22 -1.15 118.68 122.83 3i4z s LEU 92 Ca -0.13 -0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 52.97 3i4z s LEU 92 Cb -0.07 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.33 3i4z s LEU 92 CO 0.01 0.08 1.25 0.21 -1.32 0.00 0.00 176.35 176.59 3i4z s ASN 93 N 0.72 6.27 0.54 3.68 3.84 -0.06 -0.95 114.94 128.98 3i4z s ASN 93 Ca -0.10 -0.22 0.32 0.00 0.21 0.00 0.00 52.86 53.07 3i4z s ASN 93 Cb -0.16 -2.56 1.45 0.00 -0.55 0.00 0.00 41.25 39.44 3i4z s ASN 93 CO 0.01 -1.70 2.03 0.00 -2.79 0.00 0.00 177.10 174.65 3i4z h SER 95 N 0.00 0.55 -0.03 0.00 0.02 -1.85 -3.35 113.55 108.89 3i4z h SER 95 Ca -0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3i4z h SER 95 Cb 0.45 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3i4z h SER 95 CO 0.01 1.29 0.00 -0.46 -1.14 0.00 0.00 176.83 176.53 3i4z n ASN 96 N -3.71 2.07 -3.86 3.07 2.04 -1.20 -5.01 115.26 108.66 3i4z n ASN 96 Ca -0.08 -2.00 -0.30 0.00 -0.44 0.00 0.00 54.58 51.76 3i4z n ASN 96 Cb 0.88 -0.02 0.02 0.00 -2.53 0.00 0.00 39.78 38.14 3i4z n ASN 96 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3i4z n SER 97 N -0.42 -4.80 -4.72 0.53 7.64 0.04 -4.98 113.62 106.90 3i4z n SER 97 Ca 0.01 -0.74 -0.36 0.00 1.01 0.00 0.00 58.87 58.79 3i4z n SER 97 Cb 0.26 -3.84 -0.08 0.00 -1.01 0.00 0.00 64.21 59.55 3i4z n SER 97 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i4z s ILE 98 N -3.27 5.34 0.05 0.44 -1.09 -1.11 -4.87 121.20 116.70 3i4z s ILE 98 Ca 0.64 0.41 -0.21 0.00 -2.23 0.00 0.00 60.65 59.26 3i4z s ILE 98 Cb -0.32 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 3i4z s ILE 98 CO 0.79 0.40 0.62 -0.69 -1.23 0.00 0.00 174.94 174.83 3i4z s VAL 99 N 0.52 4.76 0.14 2.92 1.01 -1.26 -0.88 120.40 127.61 3i4z s VAL 99 Ca 0.13 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.48 3i4z s VAL 99 Cb -0.12 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3i4z s VAL 99 CO 0.02 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 3i4z s ARG 100 N -0.69 1.06 0.03 2.72 1.70 -0.30 -1.46 118.95 122.01 3i4z s ARG 100 Ca 0.31 -1.43 -0.04 0.00 -0.47 0.00 0.00 55.73 54.11 3i4z s ARG 100 Cb -0.20 -0.65 -0.02 0.00 -0.57 0.00 0.00 34.95 33.52 3i4z s ARG 100 CO 0.20 0.08 0.06 1.52 -1.08 0.00 0.00 175.30 176.08 3i4z s TYR 101 N -3.20 0.24 0.06 5.89 -0.85 -0.71 -0.99 117.35 117.78 3i4z s TYR 101 Ca 0.16 -0.54 0.09 0.00 -0.52 0.00 0.00 57.07 56.25 3i4z s TYR 101 Cb 0.02 -0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 3i4z s TYR 101 CO 0.01 -0.32 -0.24 0.99 -1.52 0.00 0.00 175.55 174.47 3i4z s THR 102 N -2.42 1.93 0.06 -3.49 2.01 -0.19 -0.73 115.64 112.82 3i4z s THR 102 Ca -0.07 -1.39 -0.09 0.00 0.31 0.00 0.00 61.69 60.45 3i4z s THR 102 Cb -0.02 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3i4z s THR 102 CO -0.04 0.22 0.20 0.72 -0.69 0.00 0.00 174.62 175.02 3i4z s PHE 103 N -0.88 0.08 -0.31 4.92 -0.12 -0.17 -1.26 117.98 120.24 3i4z s PHE 103 Ca 0.10 -0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 56.49 3i4z s PHE 103 Cb -0.10 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.25 3i4z s PHE 103 CO 0.03 -0.48 0.17 -2.00 -0.05 0.00 0.00 175.22 172.90 3i4z s GLU 104 N -3.05 3.43 0.26 1.99 2.12 -0.62 -1.13 118.70 121.70 3i4z s GLU 104 Ca -0.01 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 3i4z s GLU 104 Cb 0.01 -3.62 -0.11 0.00 0.26 0.00 0.00 34.13 30.67 3i4z s GLU 104 CO -0.07 -0.40 1.57 -2.14 -0.54 0.00 0.00 175.26 173.69 3i4z s PRO 105 N 1.65 4.17 -0.01 4.30 0.02 -1.26 -4.74 135.00 139.13 3i4z s PRO 105 Ca 0.05 2.49 0.03 0.00 0.02 0.00 0.00 61.00 63.60 3i4z s PRO 105 Cb -0.17 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 3i4z s PRO 105 CO 0.07 -0.59 -0.09 0.42 -0.33 0.00 0.00 177.00 176.48 3i4z s ILE 106 N 0.25 0.74 0.02 2.83 1.01 0.96 -4.57 121.20 122.44 3i4z s ILE 106 Ca 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3i4z s ILE 106 Cb -0.46 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 3i4z s ILE 106 CO 0.43 0.21 0.01 -0.46 0.00 0.00 0.00 174.94 175.14 3i4z n ASN 107 N 2.87 0.38 0.29 3.58 0.23 -1.26 -4.28 115.26 117.07 3i4z n ASN 107 Ca -0.14 -1.12 0.16 0.00 -0.53 0.00 0.00 54.58 52.95 3i4z n ASN 107 Cb 0.57 0.08 0.91 0.00 -2.08 0.00 0.00 39.78 39.26 3i4z n ASN 107 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3i4z h GLN 108 N 0.00 0.00 0.00 -3.83 3.07 -2.01 -1.69 115.11 110.64 3i4z h GLN 108 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3i4z h GLN 108 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 3i4z h GLN 108 CO 0.02 0.03 -0.67 0.72 0.09 0.00 0.00 178.83 179.02 3i4z n HIS 109 N -3.63 0.23 -1.68 0.06 8.25 -1.26 -4.83 115.22 112.37 3i4z n HIS 109 Ca -0.03 0.07 -0.47 0.00 -0.26 0.00 0.00 57.72 57.03 3i4z n HIS 109 Cb 0.13 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 30.78 3i4z n HIS 109 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i4z n THR 110 N -1.80 0.34 -0.96 1.59 -1.04 -0.64 -1.49 114.28 110.28 3i4z n THR 110 Ca 0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3i4z n THR 110 Cb 0.39 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 3i4z n THR 110 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i4z n GLY 111 N 3.97 0.72 4.00 3.41 0.00 0.34 -4.95 105.19 112.69 3i4z n GLY 111 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3i4z n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4z s THR 112 N -3.00 2.09 0.64 2.61 -4.23 -0.56 -4.75 115.64 108.45 3i4z s THR 112 Ca 0.00 -0.67 0.37 0.00 -1.18 0.00 0.00 61.69 60.21 3i4z s THR 112 Cb 0.00 -2.42 0.39 0.00 1.34 0.00 0.00 72.50 71.81 3i4z s THR 112 CO 0.00 0.00 2.23 0.44 -0.54 0.00 0.00 174.62 176.75 3i4z h ASP 113 N -0.45 0.00 1.61 3.99 3.45 -1.96 -0.96 116.42 122.11 3i4z h ASP 113 Ca -0.34 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.05 3i4z h ASP 113 Cb 1.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 3i4z h ASP 113 CO 0.39 0.00 -0.40 0.11 -1.57 0.00 0.00 179.24 177.77 3i4z h LYS 114 N 0.00 0.00 0.00 3.56 1.79 -1.94 -3.41 116.57 116.57 3i4z h LYS 114 Ca 0.02 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.27 3i4z h LYS 114 Cb 0.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.72 3i4z h LYS 114 CO -0.00 0.27 -0.47 -3.47 -1.08 0.00 0.00 179.45 174.70 3i4z n ASP 115 N -3.12 -2.81 0.27 0.86 2.03 -0.59 -5.01 116.55 108.18 3i4z n ASP 115 Ca 0.02 -3.30 0.16 0.00 0.52 0.00 0.00 54.79 52.19 3i4z n ASP 115 Cb 0.65 1.82 0.66 0.00 -0.72 0.00 0.00 41.12 43.53 3i4z n ASP 115 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3i4z h PRO 116 N 3.88 0.00 -0.26 -0.67 0.13 -1.46 0.11 132.00 133.73 3i4z h PRO 116 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3i4z h PRO 116 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3i4z h PRO 116 CO 0.30 0.04 0.00 1.19 -0.23 0.00 0.00 178.00 179.30 3i4z n PHE 117 N -3.16 0.56 -3.63 1.56 3.72 -1.26 -4.32 117.46 110.92 3i4z n PHE 117 Ca 0.00 -0.67 -0.21 0.00 -0.05 0.00 0.00 57.45 56.52 3i4z n PHE 117 Cb 0.32 -0.14 0.05 0.00 -0.94 0.00 0.00 39.48 38.77 3i4z n PHE 117 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3i4z n ASN 118 N -0.09 -2.10 0.02 4.37 5.15 -0.92 -4.17 115.26 117.52 3i4z n ASN 118 Ca 0.14 -0.74 0.11 0.00 -0.60 0.00 0.00 54.58 53.49 3i4z n ASN 118 Cb 0.59 -4.42 0.04 0.00 -0.53 0.00 0.00 39.78 35.46 3i4z n ASN 118 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3i4z n THR 119 N -4.32 0.10 -0.03 -0.44 5.66 -1.26 -4.41 114.28 109.57 3i4z n THR 119 Ca -0.24 -0.15 0.03 0.00 -3.05 0.00 0.00 64.05 60.64 3i4z n THR 119 Cb 0.65 0.37 -0.12 0.00 -1.55 0.00 0.00 70.33 69.68 3i4z n THR 119 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i4z n HIS 120 N -1.77 0.00 0.21 1.09 8.25 -1.26 -4.62 115.22 117.11 3i4z n HIS 120 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.54 3i4z n HIS 120 Cb 0.39 -0.49 0.50 0.00 1.12 0.00 0.00 29.99 31.52 3i4z n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4z h ALA 121 N 1.23 1.72 -0.66 -1.41 0.00 -1.86 -2.60 119.26 115.67 3i4z h ALA 121 Ca -0.14 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.75 3i4z h ALA 121 Cb 1.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3i4z h ALA 121 CO 0.01 0.21 0.44 0.97 0.00 0.00 0.00 179.25 180.88 3i4z h ILE 122 N 0.05 0.86 -0.17 0.00 2.10 -1.82 -1.62 117.51 116.92 3i4z h ILE 122 Ca 0.01 -0.14 -0.05 0.00 1.08 0.00 0.00 64.86 65.76 3i4z h ILE 122 Cb 0.27 0.41 -0.01 0.00 -1.09 0.00 0.00 36.82 36.40 3i4z h ILE 122 CO 0.02 0.07 -0.10 -0.50 -1.08 0.00 0.00 178.15 176.56 3i4z h TRP 123 N 0.41 0.27 -0.13 2.19 4.06 -1.80 -1.22 115.95 119.74 3i4z h TRP 123 Ca 0.31 -0.03 -0.23 0.00 2.06 0.00 0.00 58.89 61.01 3i4z h TRP 123 Cb 0.67 -0.08 0.01 0.00 -1.00 0.00 0.00 29.16 28.76 3i4z h TRP 123 CO -0.00 0.37 -0.81 1.49 -3.56 0.00 0.00 178.44 175.93 3i4z h GLU 124 N 0.25 0.76 -0.68 0.49 4.81 -1.47 -1.07 114.58 117.67 3i4z h GLU 124 Ca 0.05 -0.64 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 3i4z h GLU 124 Cb 0.34 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3i4z h GLU 124 CO 0.02 1.24 0.23 0.77 -0.73 0.00 0.00 179.01 180.54 3i4z h SER 125 N 0.51 0.98 -0.95 1.04 0.02 -1.31 -2.69 113.55 111.15 3i4z h SER 125 Ca -0.06 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3i4z h SER 125 Cb 1.43 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 3i4z h SER 125 CO 0.16 0.92 0.61 -0.07 -1.14 0.00 0.00 176.83 177.31 3i4z h LEU 126 N 0.99 1.11 -0.84 5.07 3.38 -1.13 -2.25 115.31 121.64 3i4z h LEU 126 Ca 0.22 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.26 3i4z h LEU 126 Cb 0.28 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3i4z h LEU 126 CO -0.01 0.82 0.47 -0.61 0.09 0.00 0.00 178.44 179.20 3i4z h GLN 127 N 1.30 0.72 0.00 1.13 4.15 -0.86 -0.82 115.11 120.73 3i4z h GLN 127 Ca 0.35 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.55 3i4z h GLN 127 Cb -0.12 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 3i4z h GLN 127 CO -0.07 0.48 -0.83 0.45 -1.93 0.00 0.00 178.83 176.92 3i4z h HIS 128 N 0.74 0.08 0.11 3.99 3.86 -1.29 -3.35 115.15 119.29 3i4z h HIS 128 Ca 0.43 -0.05 -0.33 0.00 -1.16 0.00 0.00 60.37 59.26 3i4z h HIS 128 Cb 0.48 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3i4z h HIS 128 CO -0.07 0.86 -1.71 -0.07 0.86 0.00 0.00 177.93 177.79 3i4z h LEU 129 N 0.03 0.38 -0.78 2.43 3.38 -0.98 -3.40 115.31 116.37 3i4z h LEU 129 Ca -0.02 -0.63 0.18 0.00 0.09 0.00 0.00 57.88 57.50 3i4z h LEU 129 Cb 1.45 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 3i4z h LEU 129 CO 0.11 1.54 0.09 -0.07 0.09 0.00 0.00 178.44 180.21 3i4z h LEU 130 N 0.07 -0.20 -1.53 1.67 -0.00 -1.30 -0.49 115.31 113.52 3i4z h LEU 130 Ca -0.31 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3i4z h LEU 130 Cb 2.03 0.30 0.00 0.00 -0.00 0.00 0.00 40.66 42.99 3i4z h LEU 130 CO 0.13 -0.15 0.00 -0.65 -0.00 0.00 0.00 178.44 177.78 3i4z h PRO 131 N 0.16 0.00 0.00 1.13 0.11 -1.78 -2.42 132.00 129.20 3i4z h PRO 131 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3i4z h PRO 131 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3i4z h PRO 131 CO -0.63 0.00 -0.71 1.28 -0.21 0.00 0.00 178.00 177.72 3i4z n LEU 132 N -2.44 0.62 -3.45 2.35 4.77 -0.19 -4.70 117.00 113.95 3i4z n LEU 132 Ca -0.01 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.81 3i4z n LEU 132 Cb 0.10 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 3i4z n LEU 132 CO 0.15 0.04 -0.23 -0.70 -1.33 0.00 0.00 177.39 175.32 3i4z s GLU 133 N -3.11 0.28 0.39 3.23 2.56 -0.91 -4.95 118.70 116.18 3i4z s GLU 133 Ca 0.07 -0.28 0.28 0.00 0.00 0.00 0.00 54.97 55.05 3i4z s GLU 133 Cb 0.15 -0.83 1.23 0.00 2.00 0.00 0.00 34.13 36.68 3i4z s GLU 133 CO 0.74 -1.03 1.85 0.87 -0.56 0.00 0.00 175.26 177.13 3i4z h LYS 134 N 8.31 0.00 0.00 4.30 1.79 -1.84 -2.12 116.57 127.01 3i4z h LYS 134 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 3i4z h LYS 134 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3i4z h LYS 134 CO 0.37 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.61 3i4z n SER 135 N -2.59 0.00 -4.74 0.86 3.41 -1.26 -4.83 113.62 104.47 3i4z n SER 135 Ca 0.01 -0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 3i4z n SER 135 Cb 0.23 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 3i4z n SER 135 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i4z s ILE 136 N -2.62 2.54 -0.03 -1.33 1.01 -0.80 -4.33 121.20 115.64 3i4z s ILE 136 Ca 0.22 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.32 3i4z s ILE 136 Cb 0.17 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3i4z s ILE 136 CO 0.39 0.06 -0.09 -0.62 0.00 0.00 0.00 174.94 174.68 3i4z s ASP 137 N 0.68 1.18 -0.06 3.58 -1.08 -0.88 -4.92 116.67 115.16 3i4z s ASP 137 Ca 0.64 -0.18 0.13 0.00 -0.52 0.00 0.00 52.55 52.62 3i4z s ASP 137 Cb -0.44 -0.34 0.41 0.00 -1.46 0.00 0.00 42.92 41.09 3i4z s ASP 137 CO 0.39 0.05 1.34 0.18 0.52 0.00 0.00 175.17 177.66 3i4z n LEU 138 N 3.36 3.36 0.25 -1.34 4.77 -1.26 -3.28 117.00 122.86 3i4z n LEU 138 Ca -0.19 -2.35 -0.16 0.00 -0.03 0.00 0.00 56.01 53.29 3i4z n LEU 138 Cb 0.54 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3i4z n LEU 138 CO 0.25 0.72 0.66 -0.08 -1.33 0.00 0.00 177.39 177.61 3i4z h GLU 139 N 2.12 -0.68 -0.49 3.23 4.81 -1.96 0.93 114.58 122.54 3i4z h GLU 139 Ca 0.00 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3i4z h GLU 139 Cb 1.01 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3i4z h GLU 139 CO 0.09 -0.45 -0.09 -1.49 -0.73 0.00 0.00 179.01 176.33 3i4z h TRP 140 N -0.70 0.98 -0.43 0.92 4.06 -1.89 -2.87 115.95 116.02 3i4z h TRP 140 Ca -0.04 -0.18 0.09 0.00 2.06 0.00 0.00 58.89 60.81 3i4z h TRP 140 Cb 0.60 -0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 28.43 3i4z h TRP 140 CO -0.14 0.93 -0.08 0.35 -3.56 0.00 0.00 178.44 175.94 3i4z h PHE 141 N 0.80 -0.18 -0.88 0.49 3.57 -1.77 -1.44 116.94 117.52 3i4z h PHE 141 Ca 0.13 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3i4z h PHE 141 Cb 0.61 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3i4z h PHE 141 CO 0.04 -0.17 0.54 0.00 -2.23 0.00 0.00 178.31 176.49 3i4z h ARG 142 N 0.02 1.20 0.29 1.11 3.08 -0.67 0.79 114.38 120.20 3i4z h ARG 142 Ca 0.21 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3i4z h ARG 142 Cb 0.32 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3i4z h ARG 142 CO -0.43 0.84 -0.14 1.25 -1.07 0.00 0.00 179.97 180.42 3i4z h HIS 143 N 1.21 -0.36 -0.17 3.04 2.76 -1.22 -1.87 115.15 118.53 3i4z h HIS 143 Ca 0.32 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.33 3i4z h HIS 143 Cb -0.06 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3i4z h HIS 143 CO -0.00 -0.19 -0.53 0.74 -1.30 0.00 0.00 177.93 176.66 3i4z h PHE 144 N -0.45 0.62 -0.33 5.26 0.04 -1.08 -1.28 116.94 119.72 3i4z h PHE 144 Ca -0.04 -0.21 0.06 0.00 2.80 0.00 0.00 57.97 60.58 3i4z h PHE 144 Cb 0.34 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 3i4z h PHE 144 CO -0.04 0.92 0.00 -0.22 -0.60 0.00 0.00 178.31 178.37 3i4z h LYS 145 N 0.39 0.09 -0.30 1.51 1.63 -0.83 0.14 116.57 119.20 3i4z h LYS 145 Ca 0.01 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3i4z h LYS 145 Cb 1.05 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 3i4z h LYS 145 CO 0.10 0.06 -0.00 1.25 -3.45 0.00 0.00 179.45 177.40 3i4z h HIS 146 N 0.09 0.57 0.03 1.91 2.76 -1.11 -2.75 115.15 116.65 3i4z h HIS 146 Ca 0.16 -0.10 -0.22 0.00 -2.20 0.00 0.00 60.37 58.01 3i4z h HIS 146 Cb 0.21 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3i4z h HIS 146 CO -0.23 0.66 -1.03 -0.44 -1.30 0.00 0.00 177.93 175.59 3i4z h ASP 147 N 0.31 0.11 -0.00 3.26 3.32 -1.07 -3.39 116.42 118.96 3i4z h ASP 147 Ca 0.08 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3i4z h ASP 147 Cb 0.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3i4z h ASP 147 CO 0.02 1.07 -0.01 0.18 -1.72 0.00 0.00 179.24 178.77 3i4z n LEU 148 N -3.43 1.19 -4.41 1.55 4.77 0.48 -5.01 117.00 112.14 3i4z n LEU 148 Ca -0.02 -0.95 -0.21 0.00 -0.03 0.00 0.00 56.01 54.79 3i4z n LEU 148 Cb 0.94 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.93 3i4z n LEU 148 CO 0.48 0.26 -0.43 0.42 -1.33 0.00 0.00 177.39 176.80 3i4z s THR 149 N -0.40 1.96 0.31 -5.08 -4.23 -1.04 -3.76 115.64 103.40 3i4z s THR 149 Ca 0.04 -2.25 -0.29 0.00 -1.18 0.00 0.00 61.69 58.01 3i4z s THR 149 Cb 0.03 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.52 3i4z s THR 149 CO 0.05 -0.45 1.42 -0.76 -0.54 0.00 0.00 174.62 174.34 3i4z s LEU 150 N -3.42 4.38 0.00 4.79 1.43 -1.26 -4.81 118.68 119.79 3i4z s LEU 150 Ca 0.27 2.78 -0.01 0.00 -1.03 0.00 0.00 54.13 56.14 3i4z s LEU 150 Cb -0.01 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.70 3i4z s LEU 150 CO 0.11 -0.70 0.92 -0.46 0.23 0.00 0.00 176.35 176.45 3i4z n ASN 151 N 1.41 1.20 -0.21 2.29 0.23 -1.26 -4.87 115.26 114.05 3i4z n ASN 151 Ca 0.03 -2.02 -0.09 0.00 -0.53 0.00 0.00 54.58 51.98 3i4z n ASN 151 Cb 0.40 -0.60 0.02 0.00 -2.08 0.00 0.00 39.78 37.53 3i4z n ASN 151 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3i4z h SER 152 N -0.57 0.95 0.00 0.53 0.02 -1.99 -0.36 113.55 112.14 3i4z h SER 152 Ca -0.30 -0.26 -0.19 0.00 -0.84 0.00 0.00 61.79 60.19 3i4z h SER 152 Cb 1.11 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3i4z h SER 152 CO 0.32 0.98 -0.69 1.05 -1.14 0.00 0.00 176.83 177.35 3i4z h GLU 153 N 0.89 0.63 -0.80 3.45 4.11 -1.99 -0.73 114.58 120.14 3i4z h GLU 153 Ca 0.18 -0.47 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 3i4z h GLU 153 Cb 0.43 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3i4z h GLU 153 CO 0.01 1.09 0.37 0.93 0.07 0.00 0.00 179.01 181.48 3i4z h GLU 154 N 0.45 1.16 -0.42 1.06 5.08 -1.93 -1.31 114.58 118.67 3i4z h GLU 154 Ca -0.02 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3i4z h GLU 154 Cb 1.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3i4z h GLU 154 CO 0.13 0.91 0.27 0.77 -1.00 0.00 0.00 179.01 180.10 3i4z h SER 155 N 1.14 0.49 -0.79 1.42 0.02 -0.83 0.38 113.55 115.38 3i4z h SER 155 Ca 0.27 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 3i4z h SER 155 Cb 0.15 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3i4z h SER 155 CO -0.03 0.36 0.30 0.00 -1.14 0.00 0.00 176.83 176.32 3i4z h ALA 156 N 1.15 1.03 -0.13 3.77 0.00 -0.84 -0.29 119.26 123.95 3i4z h ALA 156 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i4z h ALA 156 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3i4z h ALA 156 CO -0.03 0.67 0.07 0.35 0.00 0.00 0.00 179.25 180.31 3i4z h PHE 157 N 1.16 0.19 -0.01 0.00 3.57 -0.97 -1.88 116.94 119.00 3i4z h PHE 157 Ca 0.26 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3i4z h PHE 157 Cb 0.24 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3i4z h PHE 157 CO 0.02 0.22 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.73 3i4z h LEU 158 N 0.10 0.04 -0.28 0.59 3.38 -0.72 -2.02 115.31 116.40 3i4z h LEU 158 Ca 0.05 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3i4z h LEU 158 Cb 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i4z h LEU 158 CO -0.01 0.56 -0.00 0.00 0.09 0.00 0.00 178.44 179.08 3i4z h ALA 159 N 1.44 0.38 0.00 1.53 0.00 -0.83 -1.00 119.26 120.78 3i4z h ALA 159 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3i4z h ALA 159 Cb 0.94 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i4z h ALA 159 CO 0.07 0.12 -0.14 0.45 0.00 0.00 0.00 179.25 179.76 3i4z h HIS 160 N 0.28 0.00 -0.72 0.00 3.86 -1.21 -3.02 115.15 114.34 3i4z h HIS 160 Ca 0.08 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.77 3i4z h HIS 160 Cb 0.43 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 28.53 3i4z h HIS 160 CO 0.04 0.14 -0.50 0.09 0.86 0.00 0.00 177.93 178.56 3i4z n ASN 161 N -3.44 5.04 0.00 2.45 3.02 -0.77 -4.85 115.26 116.70 3i4z n ASN 161 Ca -0.01 -3.77 0.06 0.00 -0.03 0.00 0.00 54.58 50.84 3i4z n ASN 161 Cb 0.31 -0.47 0.28 0.00 -0.61 0.00 0.00 39.78 39.30 3i4z n ASN 161 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3i4z n ASP 162 N -0.79 0.00 0.21 6.41 5.75 -0.41 -1.30 116.55 126.42 3i4z n ASP 162 Ca 0.45 0.42 0.15 0.00 -0.01 0.00 0.00 54.79 55.79 3i4z n ASP 162 Cb 0.91 -0.46 0.66 0.00 -1.03 0.00 0.00 41.12 41.21 3i4z n ASP 162 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 3i4z h ARG 163 N 0.00 0.00 -0.06 0.11 0.11 -1.89 -1.23 114.38 111.43 3i4z h ARG 163 Ca 0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 3i4z h ARG 163 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 3i4z h ARG 163 CO 0.00 0.00 -0.31 -0.07 0.10 0.00 0.00 179.97 179.69 3i4z h LEU 164 N 0.00 0.10 -0.55 0.08 3.38 -1.54 -3.32 115.31 113.46 3i4z h LEU 164 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i4z h LEU 164 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i4z h LEU 164 CO 0.00 0.42 -0.12 1.33 0.09 0.00 0.00 178.44 180.15 3i4z n VAL 165 N -4.14 0.00 0.00 1.22 0.24 -0.57 -5.05 118.33 110.03 3i4z n VAL 165 Ca -0.02 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3i4z n VAL 165 Cb 0.38 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 3i4z n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i4z n GLY 166 N 0.74 2.35 1.06 7.63 0.00 -0.60 -1.00 105.19 115.38 3i4z n GLY 166 Ca 0.02 0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.26 3i4z n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4z n GLY 167 N 0.00 1.98 3.77 -0.02 0.00 -1.26 -4.95 105.19 104.71 3i4z n GLY 167 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3i4z n GLY 167 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i4z s THR 168 N -1.76 2.85 0.09 2.61 -1.32 -0.17 -4.87 115.64 113.08 3i4z s THR 168 Ca 0.24 0.86 -0.31 0.00 -1.21 0.00 0.00 61.69 61.27 3i4z s THR 168 Cb 0.18 -3.55 -0.08 0.00 -1.51 0.00 0.00 72.50 67.54 3i4z s THR 168 CO 0.08 0.21 1.56 -0.63 -2.21 0.00 0.00 174.62 173.63 3i4z s ILE 169 N -1.14 3.04 -2.42 5.08 -1.09 -1.26 -4.92 121.20 118.49 3i4z s ILE 169 Ca 0.48 0.61 0.25 0.00 -2.23 0.00 0.00 60.65 59.76 3i4z s ILE 169 Cb -0.38 -3.39 0.21 0.00 -1.58 0.00 0.00 42.46 37.32 3i4z s ILE 169 CO 0.51 0.02 1.35 0.54 -1.23 0.00 0.00 174.94 176.13 3i4z n ARG 170 N 4.88 1.64 -1.56 2.79 1.74 -1.26 -4.96 116.66 119.93 3i4z n ARG 170 Ca 0.14 -1.24 -0.54 0.00 -0.77 0.00 0.00 57.85 55.44 3i4z n ARG 170 Cb 0.41 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 3i4z n ARG 170 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i4z n THR 171 N 0.40 0.04 -0.07 0.55 -1.04 -1.26 -4.78 114.28 108.12 3i4z n THR 171 Ca 0.13 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.99 3i4z n THR 171 Cb 0.47 -0.56 -0.14 0.00 -1.82 0.00 0.00 70.33 68.28 3i4z n THR 171 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4z n GLN 172 N 2.17 0.68 -3.51 -2.82 1.13 -1.26 -4.66 117.38 109.12 3i4z n GLN 172 Ca 0.19 0.16 -0.13 0.00 -1.94 0.00 0.00 57.00 55.28 3i4z n GLN 172 Cb 0.16 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 28.85 3i4z n GLN 172 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3i4z s ASN 173 N -6.26 -0.50 0.25 1.08 6.03 -1.26 -0.90 114.94 113.38 3i4z s ASN 173 Ca -0.19 0.31 0.02 0.00 -1.03 0.00 0.00 52.86 51.97 3i4z s ASN 173 Cb 0.07 0.46 -0.05 0.00 -3.03 0.00 0.00 41.25 38.70 3i4z s ASN 173 CO 0.75 -0.63 0.06 -1.59 -2.03 0.00 0.00 177.10 173.66 3i4z s LYS 174 N -2.20 1.40 0.10 3.55 -2.85 -0.54 -4.50 119.74 114.72 3i4z s LYS 174 Ca -0.02 -1.75 0.09 0.00 -1.00 0.00 0.00 55.97 53.29 3i4z s LYS 174 Cb -0.01 -0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.30 3i4z s LYS 174 CO -0.02 -0.22 -0.24 -0.51 0.10 0.00 0.00 175.35 174.46 3i4z s LEU 175 N -3.33 2.28 0.06 2.77 1.43 -0.28 -1.74 118.68 119.87 3i4z s LEU 175 Ca 0.34 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3i4z s LEU 175 Cb 0.07 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3i4z s LEU 175 CO 0.12 0.14 -0.13 0.00 0.23 0.00 0.00 176.35 176.71 3i4z s ALA 176 N -1.05 1.03 -0.09 4.21 0.00 -0.25 -1.00 121.76 124.62 3i4z s ALA 176 Ca 0.10 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3i4z s ALA 176 Cb -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.94 3i4z s ALA 176 CO 0.05 0.14 -0.18 -0.51 0.00 0.00 0.00 175.76 175.26 3i4z s LEU 177 N -1.50 1.86 -0.20 0.00 1.02 0.10 -0.83 118.68 119.12 3i4z s LEU 177 Ca -0.03 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.58 3i4z s LEU 177 Cb -0.09 -1.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.95 3i4z s LEU 177 CO 0.02 0.09 0.17 -1.81 0.02 0.00 0.00 176.35 174.83 3i4z s ASP 178 N 0.56 6.24 -0.43 2.29 1.11 -0.14 -1.75 116.67 124.55 3i4z s ASP 178 Ca -0.15 0.26 -0.14 0.00 0.18 0.00 0.00 52.55 52.70 3i4z s ASP 178 Cb -0.17 -2.11 0.05 0.00 1.07 0.00 0.00 42.92 41.76 3i4z s ASP 178 CO 0.05 0.14 0.32 -0.76 1.18 0.00 0.00 175.17 176.10 3i4z s LEU 179 N 0.53 5.26 -0.18 1.23 1.43 -0.54 -1.36 118.68 125.05 3i4z s LEU 179 Ca 0.10 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 51.91 3i4z s LEU 179 Cb -0.12 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.03 3i4z s LEU 179 CO 0.00 -0.53 0.45 -1.59 0.23 0.00 0.00 176.35 174.91 3i4z s LYS 180 N 1.61 0.48 -1.05 1.70 -2.85 -0.75 -4.36 119.74 114.52 3i4z s LYS 180 Ca 0.04 0.75 -0.03 0.00 -1.00 0.00 0.00 55.97 55.74 3i4z s LYS 180 Cb -0.22 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 3i4z s LYS 180 CO 0.07 -0.12 0.33 -0.25 0.10 0.00 0.00 175.35 175.49 3i4z n ASP 181 N 3.63 -4.52 0.00 0.03 8.00 -1.26 -0.80 116.55 121.63 3i4z n ASP 181 Ca -0.19 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3i4z n ASP 181 Cb 0.56 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 3i4z n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4z n GLY 182 N -1.22 0.21 1.95 0.44 0.00 -1.26 -4.98 105.19 100.33 3i4z n GLY 182 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3i4z n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4z n ARG 183 N -0.66 1.02 -4.03 1.61 1.74 0.02 -5.11 116.66 111.26 3i4z n ARG 183 Ca 0.00 -1.99 -0.08 0.00 -0.77 0.00 0.00 57.85 55.00 3i4z n ARG 183 Cb 0.29 0.81 -0.11 0.00 -1.02 0.00 0.00 32.46 32.43 3i4z n ARG 183 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3i4z s PHE 184 N -2.21 0.38 -0.08 -1.55 -0.12 -1.26 -1.80 117.98 111.33 3i4z s PHE 184 Ca 0.06 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.19 3i4z s PHE 184 Cb 0.00 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 3i4z s PHE 184 CO 0.04 -0.26 -0.05 0.00 -0.05 0.00 0.00 175.22 174.90 3i4z s ALA 185 N -2.45 3.05 -0.08 1.99 0.00 -0.47 -4.93 121.76 118.87 3i4z s ALA 185 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3i4z s ALA 185 Cb -0.03 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3i4z s ALA 185 CO -0.05 0.54 -0.07 -1.17 0.00 0.00 0.00 175.76 175.02 3i4z s LEU 186 N -0.72 3.14 0.11 0.00 2.96 -1.26 -0.97 118.68 121.94 3i4z s LEU 186 Ca 0.11 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 3i4z s LEU 186 Cb -0.11 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3i4z s LEU 186 CO 0.02 0.32 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.48 3i4z s LYS 187 N -0.58 0.98 0.17 1.98 2.20 -0.01 -0.22 119.74 124.26 3i4z s LYS 187 Ca 0.09 -1.19 0.11 0.00 -0.36 0.00 0.00 55.97 54.61 3i4z s LYS 187 Cb -0.12 -0.87 -0.04 0.00 -1.51 0.00 0.00 37.83 35.30 3i4z s LYS 187 CO 0.02 0.17 -0.24 -0.08 -0.36 0.00 0.00 175.35 174.86 3i4z s THR 188 N -2.03 2.24 -0.08 3.43 -1.32 -0.30 -1.09 115.64 116.49 3i4z s THR 188 Ca 0.07 -1.95 0.04 0.00 -1.21 0.00 0.00 61.69 58.65 3i4z s THR 188 Cb -0.05 -2.04 -0.00 0.00 -1.51 0.00 0.00 72.50 68.90 3i4z s THR 188 CO 0.03 -0.10 -0.22 -0.31 -2.21 0.00 0.00 174.62 171.81 3i4z s TYR 189 N -1.58 2.26 -0.06 9.09 2.02 -0.71 -1.81 117.35 126.56 3i4z s TYR 189 Ca 0.18 -0.83 0.04 0.00 -0.37 0.00 0.00 57.07 56.10 3i4z s TYR 189 Cb -0.08 -1.52 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 3i4z s TYR 189 CO 0.08 -0.32 -0.19 0.42 -1.57 0.00 0.00 175.55 173.98 3i4z s ILE 190 N 0.24 1.59 -0.44 2.71 1.01 0.85 -1.46 121.20 125.68 3i4z s ILE 190 Ca -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 3i4z s ILE 190 Cb -0.16 -1.37 0.12 0.00 0.01 0.00 0.00 42.46 41.06 3i4z s ILE 190 CO 0.06 0.45 0.22 -0.31 0.00 0.00 0.00 174.94 175.37 3i4z s TYR 191 N 0.14 3.57 -2.02 3.97 2.02 -0.08 -1.97 117.35 122.98 3i4z s TYR 191 Ca -0.08 -2.59 0.13 0.00 -0.37 0.00 0.00 57.07 54.16 3i4z s TYR 191 Cb -0.13 -3.16 0.74 0.00 -0.40 0.00 0.00 41.96 39.01 3i4z s TYR 191 CO 0.04 -0.94 1.48 -0.35 -1.57 0.00 0.00 175.55 174.21 3i4z n PRO 192 N 4.28 1.07 -0.07 -1.71 -0.05 -1.25 -4.41 135.00 132.87 3i4z n PRO 192 Ca 0.01 -0.11 -0.07 0.00 -0.05 0.00 0.00 63.50 63.28 3i4z n PRO 192 Cb 0.40 -1.21 -0.01 0.00 -0.05 0.00 0.00 33.50 32.63 3i4z n PRO 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3i4z h ALA 193 N 3.45 0.23 -0.06 0.55 0.00 -1.86 0.21 119.26 121.78 3i4z h ALA 193 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3i4z h ALA 193 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i4z h ALA 193 CO 0.00 -0.44 -0.71 -0.07 0.00 0.00 0.00 179.25 178.03 3i4z h LEU 194 N 0.05 0.36 -0.99 0.00 3.38 -1.93 -2.08 115.31 114.10 3i4z h LEU 194 Ca 0.13 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3i4z h LEU 194 Cb 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3i4z h LEU 194 CO -0.25 0.96 0.64 0.50 0.09 0.00 0.00 178.44 180.37 3i4z h LYS 195 N 0.21 1.11 -0.40 1.13 1.63 -1.64 -1.48 116.57 117.12 3i4z h LYS 195 Ca -0.02 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3i4z h LYS 195 Cb 1.27 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.63 3i4z h LYS 195 CO 0.12 0.74 0.24 0.00 -3.45 0.00 0.00 179.45 177.09 3i4z h ALA 196 N 1.45 0.50 -0.33 5.00 0.00 -0.22 -1.78 119.26 123.89 3i4z h ALA 196 Ca 0.43 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.37 3i4z h ALA 196 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3i4z h ALA 196 CO -0.18 -0.09 0.12 0.28 0.00 0.00 0.00 179.25 179.38 3i4z h VAL 197 N 0.49 0.91 0.00 0.00 2.07 -0.71 -1.20 116.25 117.79 3i4z h VAL 197 Ca 0.16 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.47 3i4z h VAL 197 Cb -0.00 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3i4z h VAL 197 CO -0.07 0.05 -0.56 1.62 0.02 0.00 0.00 177.57 178.63 3i4z h VAL 198 N 0.26 1.11 0.00 2.57 3.04 -1.18 -3.21 116.25 118.84 3i4z h VAL 198 Ca 0.15 -2.14 0.00 0.00 -1.01 0.00 0.00 66.70 63.70 3i4z h VAL 198 Cb 0.12 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3i4z h VAL 198 CO -0.15 0.55 -1.05 0.35 -1.01 0.00 0.00 177.57 176.25 3i4z n THR 199 N -3.46 0.30 -1.13 3.17 -2.24 -0.68 -4.95 114.28 105.30 3i4z n THR 199 Ca 0.00 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 3i4z n THR 199 Cb 0.66 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3i4z n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4z n GLY 200 N 1.30 0.72 3.82 3.38 0.00 -0.47 -5.03 105.19 108.91 3i4z n GLY 200 Ca 0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 3i4z n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4z s LYS 201 N -2.01 2.84 0.56 1.61 1.02 -1.15 -5.05 119.74 117.55 3i4z s LYS 201 Ca 0.00 -1.13 -0.10 0.00 0.02 0.00 0.00 55.97 54.76 3i4z s LYS 201 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3i4z s LYS 201 CO 0.00 0.33 0.94 0.95 -0.92 0.00 0.00 175.35 176.65 3i4z s THR 202 N -2.19 4.76 0.20 2.17 -4.23 -1.26 -4.53 115.64 110.56 3i4z s THR 202 Ca 0.35 0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 61.45 3i4z s THR 202 Cb -0.07 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 70.05 3i4z s THR 202 CO 0.25 -0.98 1.77 0.40 -0.54 0.00 0.00 174.62 175.52 3i4z h ILE 203 N 0.05 0.87 -0.25 2.99 2.04 -1.89 -1.03 117.51 120.28 3i4z h ILE 203 Ca -0.45 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.30 3i4z h ILE 203 Cb 1.19 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3i4z h ILE 203 CO 0.62 0.09 -0.28 -0.74 0.00 0.00 0.00 178.15 177.84 3i4z h HIS 204 N 0.50 -0.76 -0.33 1.37 2.76 -1.93 0.13 115.15 116.90 3i4z h HIS 204 Ca 0.29 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.54 3i4z h HIS 204 Cb 0.27 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 3i4z h HIS 204 CO -0.13 -0.35 0.08 0.93 -1.30 0.00 0.00 177.93 177.16 3i4z h GLU 205 N -0.29 0.19 0.01 5.26 5.08 -1.79 0.37 114.58 123.42 3i4z h GLU 205 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i4z h GLU 205 Cb 0.50 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i4z h GLU 205 CO -0.41 0.13 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.63 3i4z h LEU 206 N 0.20 -0.05 0.22 1.33 3.38 -0.77 -0.23 115.31 119.39 3i4z h LEU 206 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3i4z h LEU 206 Cb 0.16 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i4z h LEU 206 CO -0.20 -0.03 -0.11 0.58 0.09 0.00 0.00 178.44 178.78 3i4z h VAL 207 N -0.04 0.83 -0.64 1.22 2.07 -0.49 -1.02 116.25 118.18 3i4z h VAL 207 Ca 0.00 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3i4z h VAL 207 Cb 0.04 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3i4z h VAL 207 CO -0.01 0.17 0.24 -0.26 0.02 0.00 0.00 177.57 177.73 3i4z h PHE 208 N -0.74 0.95 -0.46 1.57 0.04 -1.01 -1.81 116.94 115.48 3i4z h PHE 208 Ca -0.03 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.69 3i4z h PHE 208 Cb 0.50 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3i4z h PHE 208 CO 0.05 0.73 0.28 0.78 -0.60 0.00 0.00 178.31 179.55 3i4z h GLY 209 N 1.02 0.64 1.01 -1.45 0.00 -1.01 -1.18 103.07 102.09 3i4z h GLY 209 Ca 0.21 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3i4z h GLY 209 CO -0.02 0.20 -0.09 0.23 0.00 0.00 0.00 176.54 176.86 3i4z h SER 210 N 0.57 0.84 -0.47 0.19 0.87 -0.72 -1.57 113.55 113.25 3i4z h SER 210 Ca 0.18 -0.35 -0.10 0.00 -1.23 0.00 0.00 61.79 60.29 3i4z h SER 210 Cb -0.02 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3i4z h SER 210 CO -0.07 0.99 -0.07 0.58 -0.53 0.00 0.00 176.83 177.74 3i4z h VAL 211 N 0.66 1.26 -0.59 2.23 2.07 -1.29 -1.71 116.25 118.89 3i4z h VAL 211 Ca 0.11 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3i4z h VAL 211 Cb 0.62 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3i4z h VAL 211 CO 0.04 0.41 0.19 0.03 0.02 0.00 0.00 177.57 178.26 3i4z h ARG 212 N 0.84 0.89 -0.63 1.57 3.08 -1.00 0.91 114.38 120.04 3i4z h ARG 212 Ca 0.14 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3i4z h ARG 212 Cb 0.59 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3i4z h ARG 212 CO 0.04 0.77 0.20 0.00 -1.07 0.00 0.00 179.97 179.90 3i4z h ARG 213 N 0.86 0.98 -0.85 0.04 3.08 -0.99 -2.48 114.38 115.02 3i4z h ARG 213 Ca 0.20 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3i4z h ARG 213 Cb 0.25 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3i4z h ARG 213 CO -0.01 0.86 0.52 1.25 -1.07 0.00 0.00 179.97 181.52 3i4z h LEU 214 N 0.91 1.01 -0.44 3.04 5.85 -0.66 -2.76 115.31 122.26 3i4z h LEU 214 Ca 0.20 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3i4z h LEU 214 Cb 0.29 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3i4z h LEU 214 CO -0.01 0.77 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 3i4z n ALA 215 N -2.41 1.39 -0.20 1.25 0.00 0.25 -1.83 120.51 118.96 3i4z n ALA 215 Ca 0.09 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 3i4z n ALA 215 Cb 0.06 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.30 3i4z n ALA 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i4z h VAL 216 N 0.00 1.21 0.00 0.00 2.07 -1.42 -2.64 116.25 115.46 3i4z h VAL 216 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3i4z h VAL 216 Cb 0.17 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3i4z h VAL 216 CO 0.00 0.24 -1.03 0.54 0.02 0.00 0.00 177.57 177.34 3i4z n ARG 217 N -4.55 0.43 -3.30 1.57 1.74 -0.79 -4.55 116.66 107.21 3i4z n ARG 217 Ca 0.03 0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 56.89 3i4z n ARG 217 Cb 0.13 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 3i4z n ARG 217 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i4z n GLU 218 N -2.26 1.66 0.34 5.56 4.07 -0.76 -4.97 120.64 124.28 3i4z n GLU 218 Ca 0.01 -3.98 0.23 0.00 -0.06 0.00 0.00 57.16 53.36 3i4z n GLU 218 Cb 0.49 -1.76 1.20 0.00 -0.06 0.00 0.00 31.44 31.31 3i4z n GLU 218 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3i4z h PRO 219 N 4.07 0.00 0.00 5.31 0.11 -1.71 -2.74 132.00 137.04 3i4z h PRO 219 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i4z h PRO 219 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3i4z h PRO 219 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3i4z h ARG 220 N 0.00 0.00 -0.00 1.05 3.08 -1.89 -2.44 114.38 114.18 3i4z h ARG 220 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i4z h ARG 220 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i4z h ARG 220 CO 0.00 0.00 -0.20 0.44 -1.07 0.00 0.00 179.97 179.14 3i4z n ILE 221 N -2.88 0.00 -0.06 2.04 -5.35 -1.03 -4.33 119.36 107.73 3i4z n ILE 221 Ca -0.01 -0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.33 3i4z n ILE 221 Cb 0.18 -0.09 -0.06 0.00 -1.74 0.00 0.00 39.64 37.94 3i4z n ILE 221 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3i4z h LEU 222 N 0.26 0.37 -0.32 7.28 5.85 -1.65 -2.51 115.31 124.58 3i4z h LEU 222 Ca 0.00 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3i4z h LEU 222 Cb 0.45 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3i4z h LEU 222 CO 0.00 0.65 0.04 -0.65 -0.34 0.00 0.00 178.44 178.14 3i4z h PRO 223 N 0.08 0.14 -0.01 5.25 0.11 -1.77 0.95 132.00 136.73 3i4z h PRO 223 Ca 0.05 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 3i4z h PRO 223 Cb 0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3i4z h PRO 223 CO 0.02 0.09 -0.54 -1.00 -0.21 0.00 0.00 178.00 176.36 3i4z h PRO 224 N 0.14 0.04 -0.30 1.05 0.13 -1.57 -1.63 132.00 129.86 3i4z h PRO 224 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3i4z h PRO 224 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 3i4z h PRO 224 CO -0.22 0.57 0.20 1.25 -0.23 0.00 0.00 178.00 179.56 3i4z h LEU 225 N 0.03 0.35 -0.69 1.56 5.85 -0.97 -0.41 115.31 121.03 3i4z h LEU 225 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3i4z h LEU 225 Cb 0.96 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3i4z h LEU 225 CO 0.07 0.26 0.45 0.78 -0.34 0.00 0.00 178.44 179.66 3i4z h ASN 226 N 0.40 0.78 -0.54 1.25 2.35 -0.55 -0.72 115.58 118.56 3i4z h ASN 226 Ca 0.11 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3i4z h ASN 226 Cb -0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3i4z h ASN 226 CO -0.02 0.56 0.12 -0.03 -1.65 0.00 0.00 177.43 176.41 3i4z h MET 227 N 0.92 0.87 -0.27 0.81 4.05 -1.07 -1.50 114.93 118.74 3i4z h MET 227 Ca 0.25 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3i4z h MET 227 Cb -0.10 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 3i4z h MET 227 CO -0.06 0.83 0.15 1.25 0.23 0.00 0.00 176.91 179.31 3i4z h LEU 228 N 0.76 0.33 -1.12 3.39 5.85 -0.81 -0.35 115.31 123.36 3i4z h LEU 228 Ca 0.17 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3i4z h LEU 228 Cb 0.36 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3i4z h LEU 228 CO 0.00 0.31 0.11 -0.08 -0.34 0.00 0.00 178.44 178.45 3i4z h GLU 229 N 0.32 0.73 -0.29 1.25 4.81 -0.95 -0.39 114.58 120.07 3i4z h GLU 229 Ca 0.09 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3i4z h GLU 229 Cb 0.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3i4z h GLU 229 CO -0.02 0.67 0.05 0.93 -0.73 0.00 0.00 179.01 179.91 3i4z h GLU 230 N 0.71 0.48 -0.09 1.92 5.08 -1.03 0.89 114.58 122.54 3i4z h GLU 230 Ca 0.16 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3i4z h GLU 230 Cb 0.27 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3i4z h GLU 230 CO -0.00 0.58 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.52 3i4z h TYR 231 N 0.30 -0.38 -0.10 4.33 3.20 -0.65 -0.67 116.97 123.00 3i4z h TYR 231 Ca 0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3i4z h TYR 231 Cb 0.33 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3i4z h TYR 231 CO 0.02 -0.22 -0.13 0.82 -1.64 0.00 0.00 178.16 177.01 3i4z h ILE 232 N -0.20 0.65 -1.00 1.81 2.04 -0.87 -2.49 117.51 117.45 3i4z h ILE 232 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.07 3i4z h ILE 232 Cb 0.32 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 3i4z h ILE 232 CO -0.21 0.00 0.63 0.03 0.00 0.00 0.00 178.15 178.60 3i4z h ARG 233 N -0.17 0.91 0.00 2.37 3.08 -0.65 -1.80 114.38 118.13 3i4z h ARG 233 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i4z h ARG 233 Cb 0.28 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3i4z h ARG 233 CO -0.20 0.60 -0.00 0.66 -1.07 0.00 0.00 179.97 179.96 3i4z h SER 234 N 0.94 0.00 0.73 7.04 4.64 -0.65 -1.99 113.55 124.26 3i4z h SER 234 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3i4z h SER 234 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i4z h SER 234 CO -0.28 0.00 -0.18 0.54 -0.87 0.00 0.00 176.83 176.04 3i4z n ARG 235 N -3.11 0.12 -0.11 4.77 1.74 -0.67 -5.04 116.66 114.35 3i4z n ARG 235 Ca -0.02 -0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.04 3i4z n ARG 235 Cb 0.13 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3i4z n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i4z n GLY 236 N 1.46 -2.23 0.01 -0.13 0.00 -0.75 -3.84 105.19 99.71 3i4z n GLY 236 Ca 0.08 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.73 3i4z n GLY 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4z n SER 237 N -1.18 0.18 -1.54 1.61 3.41 -1.26 -2.94 113.62 111.90 3i4z n SER 237 Ca 0.00 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 3i4z n SER 237 Cb 0.05 -0.37 0.36 0.00 -0.26 0.00 0.00 64.21 63.99 3i4z n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i4z n LYS 238 N -1.58 4.20 -1.77 4.33 4.76 -1.26 -5.02 118.16 121.82 3i4z n LYS 238 Ca 0.06 -3.06 -0.39 0.00 -2.87 0.00 0.00 58.31 52.06 3i4z n LYS 238 Cb 0.35 -2.12 0.03 0.00 -1.84 0.00 0.00 35.03 31.45 3i4z n LYS 238 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i4z s SER 239 N -1.21 5.45 0.00 4.39 0.15 -1.15 -4.93 113.70 116.40 3i4z s SER 239 Ca 0.50 2.85 0.29 0.00 0.70 0.00 0.00 55.95 60.29 3i4z s SER 239 Cb 0.39 -2.64 1.30 0.00 -1.71 0.00 0.00 66.02 63.35 3i4z s SER 239 CO 0.13 -1.46 1.92 0.35 1.20 0.00 0.00 173.24 175.38 3i4z n THR 240 N -0.75 0.00 -4.54 6.45 -2.24 -1.26 -4.82 114.28 107.13 3i4z n THR 240 Ca 0.09 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 3i4z n THR 240 Cb 0.44 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 3i4z n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i4z s ALA 241 N -2.64 3.04 -0.03 6.98 0.00 -1.26 -1.26 121.76 126.60 3i4z s ALA 241 Ca 0.25 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3i4z s ALA 241 Cb 0.20 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.99 3i4z s ALA 241 CO 0.50 0.51 0.07 -1.54 0.00 0.00 0.00 175.76 175.30 3i4z s SER 242 N -0.60 -0.07 0.31 0.00 1.04 0.02 -4.96 113.70 109.44 3i4z s SER 242 Ca 0.09 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 3i4z s SER 242 Cb -0.12 0.15 -0.10 0.00 0.10 0.00 0.00 66.02 66.05 3i4z s SER 242 CO 0.02 -0.04 1.30 -2.16 0.98 0.00 0.00 173.24 173.34 3i4z s PRO 243 N -0.03 4.38 0.00 4.02 0.04 -1.26 -0.69 135.00 141.46 3i4z s PRO 243 Ca -0.01 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3i4z s PRO 243 Cb -0.01 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3i4z s PRO 243 CO 0.00 -0.18 0.00 0.54 0.04 0.00 0.00 177.00 177.40 3i4z n ARG 244 N 1.13 2.38 -3.83 4.56 5.12 -0.14 -4.68 116.66 121.19 3i4z n ARG 244 Ca 0.01 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 3i4z n ARG 244 Cb 0.42 -0.80 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 3i4z n ARG 244 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 3i4z s LEU 245 N -2.77 -0.13 0.09 0.55 2.34 -1.24 -4.27 118.68 113.24 3i4z s LEU 245 Ca 0.00 -0.86 0.04 0.00 0.06 0.00 0.00 54.13 53.37 3i4z s LEU 245 Cb 0.00 2.78 -0.03 0.00 -0.56 0.00 0.00 46.19 48.37 3i4z s LEU 245 CO 0.00 -1.50 -0.11 0.54 -1.06 0.00 0.00 176.35 174.22 3i4z s VAL 246 N -3.15 0.96 0.09 1.48 0.11 -0.83 -1.46 120.40 117.59 3i4z s VAL 246 Ca 0.13 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 57.69 3i4z s VAL 246 Cb -0.06 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 3i4z s VAL 246 CO 0.09 -0.46 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.38 3i4z s SER 247 N -2.21 1.15 0.08 3.54 1.04 -0.20 -0.11 113.70 116.99 3i4z s SER 247 Ca 0.03 -0.87 -0.13 0.00 0.48 0.00 0.00 55.95 55.46 3i4z s SER 247 Cb -0.05 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.15 3i4z s SER 247 CO 0.01 -0.37 0.30 0.00 0.98 0.00 0.00 173.24 174.17 3i4z s ASP 249 N -2.47 6.98 -1.17 0.00 1.01 -1.18 -1.15 116.67 118.69 3i4z s ASP 249 Ca -0.00 2.23 -0.09 0.00 0.71 0.00 0.00 52.55 55.39 3i4z s ASP 249 Cb 0.01 -2.61 0.24 0.00 1.01 0.00 0.00 42.92 41.57 3i4z s ASP 249 CO -0.08 -0.35 1.44 0.18 0.21 0.00 0.00 175.17 176.58 3i4z n LEU 250 N 0.62 5.89 -4.07 1.23 4.32 0.69 -4.77 117.00 120.91 3i4z n LEU 250 Ca 0.02 -4.85 -0.13 0.00 -0.02 0.00 0.00 56.01 51.02 3i4z n LEU 250 Cb 0.46 -1.47 -0.04 0.00 -1.62 0.00 0.00 43.42 40.75 3i4z n LEU 250 CO 0.51 1.27 0.15 0.28 -1.22 0.00 0.00 177.39 178.38 3i4z s THR 251 N -0.57 0.00 0.13 -5.08 -1.32 -1.20 -2.08 115.64 105.51 3i4z s THR 251 Ca 0.36 -1.56 -0.34 0.00 -1.21 0.00 0.00 61.69 58.94 3i4z s THR 251 Cb -0.01 -2.58 -0.17 0.00 -1.51 0.00 0.00 72.50 68.23 3i4z s THR 251 CO 0.00 0.00 1.02 -0.24 -2.21 0.00 0.00 174.62 173.19 3i4z n SER 252 N -1.20 0.48 0.23 8.08 2.88 -1.26 -4.59 113.62 118.24 3i4z n SER 252 Ca 0.00 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.86 3i4z n SER 252 Cb 0.62 -1.08 0.86 0.00 -0.75 0.00 0.00 64.21 63.86 3i4z n SER 252 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i4z h PRO 253 N 2.85 0.00 -0.03 -1.46 0.11 -1.95 0.25 132.00 131.77 3i4z h PRO 253 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3i4z h PRO 253 Cb 1.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3i4z h PRO 253 CO 0.66 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.31 3i4z h ALA 254 N 1.66 1.70 0.00 -0.75 0.00 -2.03 -3.30 119.26 116.55 3i4z h ALA 254 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i4z h ALA 254 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i4z h ALA 254 CO -0.00 0.22 -1.27 1.63 0.00 0.00 0.00 179.25 179.83 3i4z n LYS 255 N -4.34 0.58 -2.06 0.00 5.02 -0.06 -4.95 118.16 112.34 3i4z n LYS 255 Ca -0.02 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 3i4z n LYS 255 Cb 0.23 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3i4z n LYS 255 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3i4z s SER 256 N -2.80 6.70 -0.26 4.39 0.01 -0.38 -5.00 113.70 116.36 3i4z s SER 256 Ca -0.02 2.68 -0.10 0.00 1.31 0.00 0.00 55.95 59.81 3i4z s SER 256 Cb 0.05 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3i4z s SER 256 CO 0.32 -0.63 0.16 -0.13 0.41 0.00 0.00 173.24 173.37 3i4z s ARG 257 N -1.05 3.92 -0.00 12.44 1.81 -1.26 -4.88 118.95 129.93 3i4z s ARG 257 Ca 0.54 -0.34 -0.24 0.00 -1.72 0.00 0.00 55.73 53.97 3i4z s ARG 257 Cb -0.41 -3.56 -0.05 0.00 -0.45 0.00 0.00 34.95 30.49 3i4z s ARG 257 CO 0.48 -0.12 0.75 0.42 -0.68 0.00 0.00 175.30 176.15 3i4z s ILE 258 N 1.55 4.86 -0.07 1.52 1.01 -1.26 -3.08 121.20 125.73 3i4z s ILE 258 Ca 0.07 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.34 3i4z s ILE 258 Cb -0.15 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 3i4z s ILE 258 CO 0.08 0.31 -0.23 -0.54 0.00 0.00 0.00 174.94 174.56 3i4z s LYS 259 N 0.31 2.69 -0.13 2.79 1.02 -0.15 -0.92 119.74 125.34 3i4z s LYS 259 Ca 0.39 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 3i4z s LYS 259 Cb -0.19 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3i4z s LYS 259 CO 0.21 0.36 -0.06 0.42 -0.92 0.00 0.00 175.35 175.35 3i4z s ILE 260 N -0.09 3.66 -0.17 2.17 1.01 -0.59 -1.03 121.20 126.16 3i4z s ILE 260 Ca -0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3i4z s ILE 260 Cb -0.14 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3i4z s ILE 260 CO 0.04 0.52 0.00 -0.31 0.00 0.00 0.00 174.94 175.20 3i4z s TYR 261 N 0.14 3.10 -0.18 3.97 1.51 -0.54 -1.31 117.35 124.05 3i4z s TYR 261 Ca -0.03 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3i4z s TYR 261 Cb -0.14 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 3i4z s TYR 261 CO 0.03 -0.02 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.90 3i4z s LEU 262 N 0.52 3.05 0.12 -1.29 1.43 0.13 -0.97 118.68 121.67 3i4z s LEU 262 Ca -0.01 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 3i4z s LEU 262 Cb -0.14 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 3i4z s LEU 262 CO 0.02 0.08 1.11 -0.22 0.23 0.00 0.00 176.35 177.57 3i4z s LEU 263 N 0.86 4.44 -0.31 1.79 2.96 0.14 -1.41 118.68 127.15 3i4z s LEU 263 Ca -0.01 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 55.93 3i4z s LEU 263 Cb -0.15 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.04 3i4z s LEU 263 CO 0.01 -0.29 0.02 -0.70 -1.32 0.00 0.00 176.35 174.08 3i4z s GLU 264 N 0.24 1.50 0.27 1.98 2.56 0.09 -0.80 118.70 124.53 3i4z s GLU 264 Ca 0.52 -1.62 0.25 0.00 0.00 0.00 0.00 54.97 54.13 3i4z s GLU 264 Cb -0.28 -2.95 0.92 0.00 2.00 0.00 0.00 34.13 33.82 3i4z s GLU 264 CO 0.32 -0.86 1.75 1.96 -0.56 0.00 0.00 175.26 177.87 3i4z h GLN 265 N 7.73 0.00 -5.88 4.30 4.20 -1.42 -0.32 115.11 123.71 3i4z h GLN 265 Ca -0.09 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.01 3i4z h GLN 265 Cb 1.03 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.69 3i4z h GLN 265 CO 0.50 0.00 0.43 1.41 -0.67 0.00 0.00 178.83 180.49 3i4z s MET 266 N -3.25 3.59 -0.67 1.46 1.75 -1.26 0.16 119.30 121.07 3i4z s MET 266 Ca 0.07 0.15 -0.21 0.00 -1.25 0.00 0.00 55.69 54.44 3i4z s MET 266 Cb 0.10 -3.88 0.08 0.00 2.84 0.00 0.00 34.83 33.97 3i4z s MET 266 CO 0.49 -1.03 0.92 0.08 -0.65 0.00 0.00 175.02 174.84 3i4z s VAL 267 N 3.33 4.47 0.03 10.11 1.01 -0.56 -4.73 120.40 134.06 3i4z s VAL 267 Ca 0.32 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 3i4z s VAL 267 Cb -0.12 -4.65 0.04 0.00 0.00 0.00 0.00 36.38 31.65 3i4z s VAL 267 CO 0.21 -1.39 0.47 -0.94 0.00 0.00 0.00 175.10 173.45 3i4z s SER 268 N 3.67 -0.37 0.24 3.32 1.04 -1.26 -0.75 113.70 119.59 3i4z s SER 268 Ca 0.21 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 3i4z s SER 268 Cb -0.17 0.45 0.23 0.00 0.10 0.00 0.00 66.02 66.63 3i4z s SER 268 CO 0.08 -0.67 1.87 0.25 0.98 0.00 0.00 173.24 175.75 3i4z h LEU 269 N 2.98 1.12 -0.79 2.42 5.85 -1.99 -1.90 115.31 123.00 3i4z h LEU 269 Ca -0.31 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3i4z h LEU 269 Cb 1.20 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3i4z h LEU 269 CO 0.42 0.88 0.49 -0.33 -0.34 0.00 0.00 178.44 179.56 3i4z h GLU 270 N 1.27 0.90 -0.60 1.25 3.07 -1.97 0.18 114.58 118.68 3i4z h GLU 270 Ca 0.32 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.05 3i4z h GLU 270 Cb -0.01 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 3i4z h GLU 270 CO -0.06 0.60 0.05 0.00 -1.40 0.00 0.00 179.01 178.20 3i4z h ALA 271 N 1.35 0.81 -0.25 3.43 0.00 -1.78 -1.14 119.26 121.68 3i4z h ALA 271 Ca 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i4z h ALA 271 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i4z h ALA 271 CO -0.14 0.60 0.14 1.98 0.00 0.00 0.00 179.25 181.83 3i4z h MET 272 N 0.93 0.36 -0.78 0.00 -1.53 -0.61 -2.08 114.93 111.23 3i4z h MET 272 Ca 0.18 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 3i4z h MET 272 Cb 0.49 -0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.44 3i4z h MET 272 CO 0.02 0.32 0.44 0.93 0.14 0.00 0.00 176.91 178.76 3i4z h GLU 273 N 0.30 1.07 -0.79 0.39 5.08 -0.55 -0.90 114.58 119.19 3i4z h GLU 273 Ca 0.09 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3i4z h GLU 273 Cb 0.07 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3i4z h GLU 273 CO -0.01 0.79 0.52 0.22 -1.00 0.00 0.00 179.01 179.52 3i4z h ASP 274 N 1.07 0.90 -0.28 1.42 3.58 -1.02 -1.07 116.42 121.01 3i4z h ASP 274 Ca 0.27 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 3i4z h ASP 274 Cb 0.01 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3i4z h ASP 274 CO -0.05 0.65 0.13 -0.07 -2.88 0.00 0.00 179.24 177.02 3i4z h LEU 275 N 1.06 0.37 -1.09 2.28 3.38 -1.19 0.95 115.31 121.07 3i4z h LEU 275 Ca 0.29 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i4z h LEU 275 Cb -0.12 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3i4z h LEU 275 CO -0.06 0.41 0.61 -0.25 0.09 0.00 0.00 178.44 179.24 3i4z h TRP 276 N 0.31 1.15 -0.44 1.13 2.91 -0.73 -2.15 115.95 118.13 3i4z h TRP 276 Ca 0.09 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.14 3i4z h TRP 276 Cb 0.14 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.41 3i4z h TRP 276 CO -0.01 0.69 0.00 0.25 -1.03 0.00 0.00 178.44 178.34 3i4z n THR 277 N -4.42 0.57 -4.07 2.65 -2.24 -0.45 -4.73 114.28 101.59 3i4z n THR 277 Ca 0.12 -0.75 -0.45 0.00 -2.27 0.00 0.00 64.05 60.70 3i4z n THR 277 Cb 0.06 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 3i4z n THR 277 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i4z n LEU 278 N 1.41 -0.43 -2.36 3.22 4.32 -0.48 -0.66 117.00 122.01 3i4z n LEU 278 Ca 0.20 -1.29 -0.19 0.00 -0.02 0.00 0.00 56.01 54.71 3i4z n LEU 278 Cb 0.58 -1.66 0.01 0.00 -1.62 0.00 0.00 43.42 40.73 3i4z n LEU 278 CO 0.16 0.78 -0.13 0.61 -1.22 0.00 0.00 177.39 177.58 3i4z n GLY 279 N -2.11 -0.39 1.78 -0.72 0.00 0.21 -2.25 105.19 101.72 3i4z n GLY 279 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i4z n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4z n GLY 280 N -1.20 0.76 0.14 -0.02 0.00 -0.82 -4.94 105.19 99.10 3i4z n GLY 280 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 3i4z n GLY 280 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i4z h ARG 281 N 2.82 0.11 -4.18 1.61 3.08 -0.76 -3.41 114.38 113.65 3i4z h ARG 281 Ca 0.00 -0.09 -0.71 0.00 0.07 0.00 0.00 59.98 59.25 3i4z h ARG 281 Cb 0.00 0.02 -0.33 0.00 0.08 0.00 0.00 29.97 29.74 3i4z h ARG 281 CO 0.00 0.76 -0.44 0.50 -1.07 0.00 0.00 179.97 179.72 3i4z s ARG 282 N -3.51 2.33 0.00 0.04 3.52 0.17 -4.90 118.95 116.60 3i4z s ARG 282 Ca -0.02 -2.01 0.00 0.00 -0.13 0.00 0.00 55.73 53.56 3i4z s ARG 282 Cb 0.12 -3.74 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 3i4z s ARG 282 CO 0.79 -1.14 0.64 -2.13 -0.81 0.00 0.00 175.30 172.65 3i4z n ARG 283 N 4.37 1.05 -1.02 5.12 0.63 -1.26 -4.54 116.66 121.00 3i4z n ARG 283 Ca -0.01 -0.85 -0.30 0.00 -0.92 0.00 0.00 57.85 55.78 3i4z n ARG 283 Cb 0.40 -0.79 0.14 0.00 0.45 0.00 0.00 32.46 32.66 3i4z n ARG 283 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3i4z s ASP 284 N -0.41 3.40 0.27 6.15 -4.77 -1.26 -4.74 116.67 115.30 3i4z s ASP 284 Ca 0.00 1.78 -0.01 0.00 -3.30 0.00 0.00 52.55 51.03 3i4z s ASP 284 Cb 0.00 -2.40 0.57 0.00 -1.09 0.00 0.00 42.92 40.00 3i4z s ASP 284 CO 0.00 -2.73 1.73 0.00 0.70 0.00 0.00 175.17 174.87 3i4z h ALA 285 N -1.61 1.26 -0.31 2.11 0.00 -1.99 -1.81 119.26 116.90 3i4z h ALA 285 Ca -0.47 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3i4z h ALA 285 Cb 1.27 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3i4z h ALA 285 CO 0.50 -0.21 -0.35 1.03 0.00 0.00 0.00 179.25 180.22 3i4z h SER 286 N 0.49 0.84 -0.58 0.00 0.87 -1.99 -0.18 113.55 113.00 3i4z h SER 286 Ca 0.48 -0.48 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3i4z h SER 286 Cb 0.77 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 3i4z h SER 286 CO -0.43 1.15 0.28 0.74 -0.53 0.00 0.00 176.83 178.04 3i4z h THR 287 N 0.55 0.90 -0.21 2.23 2.02 -1.80 -0.70 112.91 115.90 3i4z h THR 287 Ca 0.04 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3i4z h THR 287 Cb 0.93 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3i4z h THR 287 CO 0.08 0.10 -0.32 -0.07 0.37 0.00 0.00 175.52 175.68 3i4z h LEU 288 N 0.52 0.44 -0.32 2.58 3.38 -1.04 0.85 115.31 121.71 3i4z h LEU 288 Ca 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i4z h LEU 288 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i4z h LEU 288 CO -0.21 0.74 0.15 -0.08 0.09 0.00 0.00 178.44 179.13 3i4z h GLU 289 N 0.37 0.47 -0.90 1.13 4.81 -0.63 -2.61 114.58 117.22 3i4z h GLU 289 Ca 0.05 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3i4z h GLU 289 Cb 0.75 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 3i4z h GLU 289 CO 0.06 0.44 0.59 0.78 -0.73 0.00 0.00 179.01 180.16 3i4z h GLY 290 N 0.39 1.28 1.61 1.92 0.00 -0.75 -2.47 103.07 105.04 3i4z h GLY 290 Ca 0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3i4z h GLY 290 CO -0.01 0.43 0.16 -2.00 0.00 0.00 0.00 176.54 175.12 3i4z h LEU 291 N 1.19 0.45 -1.39 3.11 5.85 -0.53 -1.20 115.31 122.79 3i4z h LEU 291 Ca 0.34 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 3i4z h LEU 291 Cb -0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3i4z h LEU 291 CO -0.08 0.41 -0.23 0.77 -0.34 0.00 0.00 178.44 178.96 3i4z h SER 292 N 0.51 0.10 0.46 1.25 4.64 -1.08 -0.57 113.55 118.86 3i4z h SER 292 Ca 0.13 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.20 3i4z h SER 292 Cb 0.09 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3i4z h SER 292 CO -0.02 0.34 -0.97 -0.07 -0.87 0.00 0.00 176.83 175.25 3i4z h LEU 293 N 0.10 0.43 -0.40 5.97 3.38 -1.27 -1.63 115.31 121.89 3i4z h LEU 293 Ca 0.02 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3i4z h LEU 293 Cb 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3i4z h LEU 293 CO 0.03 1.18 0.27 0.58 0.09 0.00 0.00 178.44 180.59 3i4z h VAL 294 N 0.17 1.10 -0.81 1.22 2.07 -0.79 0.17 116.25 119.38 3i4z h VAL 294 Ca -0.08 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3i4z h VAL 294 Cb 1.62 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3i4z h VAL 294 CO 0.16 0.10 0.34 0.03 0.02 0.00 0.00 177.57 178.22 3i4z h ARG 295 N 0.55 1.20 -0.40 1.57 3.08 -1.08 0.74 114.38 120.05 3i4z h ARG 295 Ca 0.15 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3i4z h ARG 295 Cb -0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3i4z h ARG 295 CO -0.03 0.96 0.10 1.49 -1.07 0.00 0.00 179.97 181.43 3i4z h GLU 296 N 1.18 0.63 -0.60 0.04 4.81 -0.95 -1.19 114.58 118.49 3i4z h GLU 296 Ca 0.27 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3i4z h GLU 296 Cb 0.20 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3i4z h GLU 296 CO -0.02 0.65 0.32 -0.07 -0.73 0.00 0.00 179.01 179.16 3i4z h LEU 297 N 0.50 0.76 -0.33 1.64 3.38 -0.76 -1.25 115.31 119.25 3i4z h LEU 297 Ca 0.13 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i4z h LEU 297 Cb 0.30 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3i4z h LEU 297 CO -0.00 0.65 -0.03 -0.25 0.09 0.00 0.00 178.44 178.90 3i4z h TRP 298 N 0.82 -0.07 -0.39 1.13 2.91 -0.64 -0.53 115.95 119.19 3i4z h TRP 298 Ca 0.21 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.21 3i4z h TRP 298 Cb 0.06 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 3i4z h TRP 298 CO -0.01 -0.09 0.05 -0.44 -1.03 0.00 0.00 178.44 176.92 3i4z h ASP 299 N 0.06 0.55 0.12 2.65 3.32 -0.85 -2.37 116.42 119.90 3i4z h ASP 299 Ca 0.16 -0.09 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 3i4z h ASP 299 Cb 0.23 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.66 3i4z h ASP 299 CO -0.29 0.59 -0.98 -0.07 -1.72 0.00 0.00 179.24 176.76 3i4z h LEU 300 N 0.57 0.67 -0.23 1.55 3.38 -0.91 -3.35 115.31 116.98 3i4z h LEU 300 Ca 0.13 -0.86 -0.21 0.00 0.09 0.00 0.00 57.88 57.02 3i4z h LEU 300 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i4z h LEU 300 CO 0.00 1.47 -0.91 0.40 0.09 0.00 0.00 178.44 179.49 3i4z h ILE 301 N -0.04 1.45 -5.93 1.22 2.04 -1.09 -3.44 117.51 111.73 3i4z h ILE 301 Ca -0.16 -2.54 -0.38 0.00 1.00 0.00 0.00 64.86 62.79 3i4z h ILE 301 Cb 1.72 2.44 0.10 0.00 -0.74 0.00 0.00 36.82 40.34 3i4z h ILE 301 CO 0.19 0.75 -0.84 0.00 0.00 0.00 0.00 178.15 178.24 3i4z n GLN 302 N -3.70 -4.18 -1.58 2.37 6.02 -0.89 -4.94 117.38 110.47 3i4z n GLN 302 Ca -0.05 0.67 -0.37 0.00 -0.01 0.00 0.00 57.00 57.24 3i4z n GLN 302 Cb 0.82 -5.24 0.06 0.00 1.02 0.00 0.00 30.24 26.90 3i4z n GLN 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i4z n LEU 303 N -4.06 4.06 -4.62 1.08 4.77 -1.26 -4.93 117.00 112.04 3i4z n LEU 303 Ca -0.23 0.77 -0.43 0.00 -0.03 0.00 0.00 56.01 56.09 3i4z n LEU 303 Cb 0.65 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3i4z n LEU 303 CO 0.65 -1.78 1.25 -0.55 -1.33 0.00 0.00 177.39 175.63 3i4z s SER 304 N -1.37 6.43 0.62 -1.43 0.15 -1.26 -5.00 113.70 111.84 3i4z s SER 304 Ca 0.77 1.15 -0.12 0.00 0.70 0.00 0.00 55.95 58.45 3i4z s SER 304 Cb -0.39 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.35 3i4z s SER 304 CO 0.46 -1.30 1.03 -2.84 1.20 0.00 0.00 173.24 171.80 3i4z s PRO 305 N 4.67 3.44 0.00 5.44 0.02 -1.26 -4.86 135.00 142.46 3i4z s PRO 305 Ca 0.63 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3i4z s PRO 305 Cb -0.18 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.28 3i4z s PRO 305 CO 0.29 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 3i4z n GLY 306 N -2.14 2.27 3.74 0.52 0.00 0.07 -4.94 105.19 104.70 3i4z n GLY 306 Ca 0.07 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3i4z n GLY 306 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4z s LEU 307 N 0.00 4.41 -0.07 0.99 2.96 -1.26 -1.49 118.68 124.22 3i4z s LEU 307 Ca 0.00 2.45 0.04 0.00 -0.22 0.00 0.00 54.13 56.41 3i4z s LEU 307 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 3i4z s LEU 307 CO 0.00 -0.55 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.73 3i4z s LYS 308 N -0.23 2.71 1.02 1.98 -0.14 0.12 -4.94 119.74 120.26 3i4z s LYS 308 Ca 0.57 -0.83 -0.12 0.00 -1.36 0.00 0.00 55.97 54.23 3i4z s LYS 308 Cb -0.37 -2.29 0.20 0.00 -1.68 0.00 0.00 37.83 33.69 3i4z s LYS 308 CO 0.40 0.39 1.08 -1.54 -0.76 0.00 0.00 175.35 174.92 3i4z s SER 309 N -0.16 2.39 0.51 2.83 1.04 -1.26 -4.76 113.70 114.28 3i4z s SER 309 Ca -0.03 1.30 -0.23 0.00 0.48 0.00 0.00 55.95 57.47 3i4z s SER 309 Cb -0.14 -1.99 -0.06 0.00 0.10 0.00 0.00 66.02 63.94 3i4z s SER 309 CO 0.04 -3.29 1.34 -0.31 0.98 0.00 0.00 173.24 172.00 3i4z s TYR 310 N -2.86 2.43 0.83 5.02 2.02 -1.26 -4.53 117.35 119.00 3i4z s TYR 310 Ca 0.66 1.37 -0.09 0.00 -0.37 0.00 0.00 57.07 58.64 3i4z s TYR 310 Cb -0.20 -3.76 0.15 0.00 -0.40 0.00 0.00 41.96 37.75 3i4z s TYR 310 CO 0.59 -2.68 1.15 -1.25 -1.57 0.00 0.00 175.55 171.79 3i4z s PRO 311 N -2.74 1.28 0.48 -1.71 0.04 -1.26 -5.02 135.00 126.07 3i4z s PRO 311 Ca 0.67 -0.66 -0.21 0.00 0.04 0.00 0.00 61.00 60.84 3i4z s PRO 311 Cb -0.39 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 3i4z s PRO 311 CO 0.48 -1.86 0.79 0.00 0.04 0.00 0.00 177.00 176.44 3i4z n ALA 312 N -3.28 -0.51 -0.33 8.56 0.00 -1.26 -4.87 120.51 118.83 3i4z n ALA 312 Ca 0.14 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.73 3i4z n ALA 312 Cb 0.60 -1.96 0.20 0.00 0.00 0.00 0.00 19.45 18.30 3i4z n ALA 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i4z h PRO 313 N 0.90 1.09 -3.41 0.00 0.11 -1.95 -3.44 132.00 125.29 3i4z h PRO 313 Ca -0.44 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3i4z h PRO 313 Cb 1.37 -0.25 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3i4z h PRO 313 CO 0.52 0.72 0.02 1.52 -0.21 0.00 0.00 178.00 180.57 3i4z s TYR 314 N -5.97 0.19 -0.09 0.65 -0.85 -1.26 -4.88 117.35 105.14 3i4z s TYR 314 Ca -0.12 -0.59 -0.00 0.00 -0.52 0.00 0.00 57.07 55.84 3i4z s TYR 314 Cb 0.20 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 3i4z s TYR 314 CO 0.81 -1.11 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.17 3i4z s LEU 315 N -2.99 3.25 0.67 -3.49 1.43 0.34 -5.02 118.68 112.87 3i4z s LEU 315 Ca 0.18 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.11 3i4z s LEU 315 Cb -0.03 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3i4z s LEU 315 CO 0.09 0.33 1.23 -2.84 0.23 0.00 0.00 176.35 175.39 3i4z s PRO 316 N -0.62 2.46 0.51 1.29 0.02 -1.26 -4.34 135.00 133.05 3i4z s PRO 316 Ca 0.09 1.86 -0.23 0.00 0.02 0.00 0.00 61.00 62.74 3i4z s PRO 316 Cb -0.12 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3i4z s PRO 316 CO 0.02 -1.62 1.32 -0.51 -0.33 0.00 0.00 177.00 175.88 3i4z s LEU 317 N -4.67 3.94 0.00 -5.54 1.43 -1.26 -2.45 118.68 110.13 3i4z s LEU 317 Ca 0.77 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.55 3i4z s LEU 317 Cb -0.32 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3i4z s LEU 317 CO 0.41 -1.33 0.00 0.61 0.23 0.00 0.00 176.35 176.26 3i4z n GLY 318 N 0.64 1.86 3.70 -3.19 0.00 -1.26 -4.95 105.19 102.00 3i4z n GLY 318 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3i4z n GLY 318 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i4z s VAL 319 N -2.63 5.10 0.03 1.61 1.01 -1.02 -5.04 120.40 119.46 3i4z s VAL 319 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 3i4z s VAL 319 Cb 0.00 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3i4z s VAL 319 CO 0.00 0.25 1.18 -0.63 0.00 0.00 0.00 175.10 175.90 3i4z s ILE 320 N 1.01 4.15 0.59 2.22 -1.09 -1.26 -4.94 121.20 121.88 3i4z s ILE 320 Ca 0.31 1.54 -0.18 0.00 -2.23 0.00 0.00 60.65 60.08 3i4z s ILE 320 Cb -0.16 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3i4z s ILE 320 CO 0.13 0.09 1.15 -2.84 -1.23 0.00 0.00 174.94 172.24 3i4z s PRO 321 N 1.29 3.09 -0.40 2.79 0.02 -1.26 -4.98 135.00 135.56 3i4z s PRO 321 Ca 0.58 1.63 0.09 0.00 0.02 0.00 0.00 61.00 63.31 3i4z s PRO 321 Cb -0.28 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.55 3i4z s PRO 321 CO 0.28 -1.07 0.62 -3.47 -0.33 0.00 0.00 177.00 173.03 3i4z n ASP 322 N -1.66 -0.10 -3.46 2.53 2.03 -1.26 -4.85 116.55 109.79 3i4z n ASP 322 Ca 0.12 -2.86 -0.10 0.00 0.52 0.00 0.00 54.79 52.47 3i4z n ASP 322 Cb 0.51 -0.29 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 3i4z n ASP 322 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3i4z s GLU 323 N -1.20 1.08 0.01 -0.67 -1.05 -1.26 -4.70 118.70 110.91 3i4z s GLU 323 Ca 0.35 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.80 3i4z s GLU 323 Cb 0.22 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.40 3i4z s GLU 323 CO -0.12 -0.47 -0.07 1.03 0.95 0.00 0.00 175.26 176.59 3i4z s ARG 324 N -3.45 0.50 0.20 -4.83 1.81 -1.26 -4.59 118.95 107.33 3i4z s ARG 324 Ca 0.03 -0.33 0.07 0.00 -1.72 0.00 0.00 55.73 53.78 3i4z s ARG 324 Cb -0.01 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 34.00 3i4z s ARG 324 CO -0.11 0.12 0.07 -0.51 -0.68 0.00 0.00 175.30 174.19 3i4z s LEU 325 N -0.42 3.53 0.88 2.53 1.43 -1.26 -4.85 118.68 120.51 3i4z s LEU 325 Ca 0.00 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 3i4z s LEU 325 Cb -0.04 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.10 3i4z s LEU 325 CO -0.00 0.05 0.67 -2.65 0.23 0.00 0.00 176.35 174.65 3i4z n PRO 326 N -0.49 -0.14 -1.39 1.29 -0.02 -1.26 -4.88 135.00 128.12 3i4z n PRO 326 Ca -0.08 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.12 3i4z n PRO 326 Cb 0.56 -2.03 0.16 0.00 -0.02 0.00 0.00 33.50 32.18 3i4z n PRO 326 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i4z s LEU 327 N -2.52 1.74 0.04 2.45 1.43 -0.13 -4.67 118.68 117.02 3i4z s LEU 327 Ca 0.63 0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 54.57 3i4z s LEU 327 Cb -0.25 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 42.85 3i4z s LEU 327 CO 0.62 -2.95 0.20 -0.32 0.23 0.00 0.00 176.35 174.13 3i4z s MET 328 N -5.23 0.68 0.02 1.70 -2.45 -1.24 -0.74 119.30 112.05 3i4z s MET 328 Ca 0.66 -0.59 -0.03 0.00 -1.25 0.00 0.00 55.69 54.48 3i4z s MET 328 Cb -0.15 0.29 -0.02 0.00 1.25 0.00 0.00 34.83 36.20 3i4z s MET 328 CO 0.55 -0.20 0.03 0.00 1.05 0.00 0.00 175.02 176.45 3i4z s ALA 329 N -2.45 0.04 0.28 4.11 0.00 -0.50 -0.78 121.76 122.47 3i4z s ALA 329 Ca -0.06 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.40 3i4z s ALA 329 Cb -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 3i4z s ALA 329 CO -0.03 -0.23 -0.07 0.54 0.00 0.00 0.00 175.76 175.97 3i4z s ASN 330 N -1.78 2.86 -0.09 0.00 2.20 0.06 0.19 114.94 118.38 3i4z s ASN 330 Ca -0.10 -1.18 -0.00 0.00 -0.94 0.00 0.00 52.86 50.63 3i4z s ASN 330 Cb -0.05 -0.19 0.02 0.00 -2.00 0.00 0.00 41.25 39.04 3i4z s ASN 330 CO -0.02 -0.31 -0.05 -0.36 -2.94 0.00 0.00 177.10 173.41 3i4z s PHE 331 N -2.96 1.17 0.02 1.54 0.08 -0.43 -0.85 117.98 116.55 3i4z s PHE 331 Ca 0.29 -0.51 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 3i4z s PHE 331 Cb 0.03 -1.04 -0.06 0.00 -0.57 0.00 0.00 43.02 41.38 3i4z s PHE 331 CO 0.12 -0.42 0.55 0.99 -0.10 0.00 0.00 175.22 176.36 3i4z s THR 332 N 1.67 4.89 -0.93 0.64 2.01 -0.00 -1.54 115.64 122.37 3i4z s THR 332 Ca 0.03 1.15 -0.13 0.00 0.31 0.00 0.00 61.69 63.05 3i4z s THR 332 Cb -0.13 -3.88 0.23 0.00 0.01 0.00 0.00 72.50 68.73 3i4z s THR 332 CO -0.06 0.48 0.92 -0.76 -0.69 0.00 0.00 174.62 174.51 3i4z s LEU 333 N -0.59 6.48 0.12 4.42 1.43 -0.10 -1.79 118.68 128.65 3i4z s LEU 333 Ca 0.29 -2.93 -0.30 0.00 -1.03 0.00 0.00 54.13 50.16 3i4z s LEU 333 Cb -0.18 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 3i4z s LEU 333 CO 0.17 -0.53 1.08 -2.28 0.23 0.00 0.00 176.35 175.02 3i4z s HIS 334 N -0.05 3.61 -0.65 0.29 2.46 -1.26 -4.38 115.29 115.31 3i4z s HIS 334 Ca 0.24 1.58 0.22 0.00 0.47 0.00 0.00 55.06 57.57 3i4z s HIS 334 Cb -0.09 -3.25 0.90 0.00 -0.13 0.00 0.00 32.58 30.00 3i4z s HIS 334 CO -0.08 -0.54 1.68 1.04 -2.47 0.00 0.00 174.74 174.37 3i4z n GLN 335 N 2.92 0.16 -0.14 2.88 6.02 -1.26 -2.92 117.38 125.03 3i4z n GLN 335 Ca 0.04 0.34 0.05 0.00 -0.01 0.00 0.00 57.00 57.42 3i4z n GLN 335 Cb 0.47 -1.77 0.12 0.00 1.02 0.00 0.00 30.24 30.08 3i4z n GLN 335 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i4z n ASN 336 N -2.06 2.66 -3.70 1.08 4.05 -1.26 -4.81 115.26 111.21 3i4z n ASN 336 Ca 0.03 -2.41 -0.21 0.00 0.45 0.00 0.00 54.58 52.45 3i4z n ASN 336 Cb 0.25 -0.25 -0.18 0.00 1.23 0.00 0.00 39.78 40.83 3i4z n ASN 336 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3i4z s ASP 337 N -1.56 1.20 0.34 1.20 -1.08 -1.15 -5.03 116.67 110.59 3i4z s ASP 337 Ca 0.20 0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.53 3i4z s ASP 337 Cb 0.15 -0.22 1.11 0.00 -1.46 0.00 0.00 42.92 42.51 3i4z s ASP 337 CO 0.06 -0.23 1.78 1.55 0.52 0.00 0.00 175.17 178.86 3i4z h PRO 338 N 8.34 0.00 -5.28 4.34 0.13 -1.93 -3.40 132.00 134.21 3i4z h PRO 338 Ca -0.16 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.34 3i4z h PRO 338 Cb 1.12 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.05 3i4z h PRO 338 CO 0.20 0.00 -0.63 0.08 -0.23 0.00 0.00 178.00 177.41 3i4z s VAL 339 N -3.43 4.19 0.42 1.56 1.01 -1.26 -2.69 120.40 120.20 3i4z s VAL 339 Ca 0.03 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 3i4z s VAL 339 Cb 0.09 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 3i4z s VAL 339 CO 0.41 0.48 1.45 -2.84 0.00 0.00 0.00 175.10 174.60 3i4z s PRO 340 N 0.42 3.86 -0.23 2.72 0.02 -1.26 -4.78 135.00 135.73 3i4z s PRO 340 Ca -0.01 2.49 -0.13 0.00 0.02 0.00 0.00 61.00 63.36 3i4z s PRO 340 Cb -0.14 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3i4z s PRO 340 CO 0.02 -0.70 0.28 -2.00 -0.33 0.00 0.00 177.00 174.26 3i4z s GLU 341 N -2.31 4.09 0.36 5.54 2.12 -0.74 -4.85 118.70 122.91 3i4z s GLU 341 Ca 0.58 -0.06 -0.14 0.00 0.36 0.00 0.00 54.97 55.71 3i4z s GLU 341 Cb -0.45 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.30 3i4z s GLU 341 CO 0.59 -0.04 0.76 -1.25 -0.54 0.00 0.00 175.26 174.78 3i4z s PRO 342 N 1.35 3.93 -0.04 4.30 0.04 -1.26 -0.82 135.00 142.49 3i4z s PRO 342 Ca 0.13 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.80 3i4z s PRO 342 Cb -0.14 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.01 3i4z s PRO 342 CO 0.07 0.07 -0.06 -1.14 0.04 0.00 0.00 177.00 175.98 3i4z s GLN 343 N -3.32 0.94 0.15 4.56 0.74 -0.03 -4.61 119.66 118.09 3i4z s GLN 343 Ca 0.53 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.85 3i4z s GLN 343 Cb -0.10 -0.90 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 3i4z s GLN 343 CO 0.22 -0.04 -0.04 0.14 -0.55 0.00 0.00 175.29 175.03 3i4z s VAL 344 N 0.76 3.60 -0.16 1.34 -7.23 -0.40 -0.76 120.40 117.55 3i4z s VAL 344 Ca -0.11 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3i4z s VAL 344 Cb -0.14 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.04 3i4z s VAL 344 CO 0.01 -0.03 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.28 3i4z s TYR 345 N -1.55 2.75 -0.51 2.82 2.02 0.04 -0.55 117.35 122.38 3i4z s TYR 345 Ca 0.25 -1.24 -0.20 0.00 -0.37 0.00 0.00 57.07 55.51 3i4z s TYR 345 Cb -0.10 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.63 3i4z s TYR 345 CO 0.17 -0.58 0.70 -0.06 -1.57 0.00 0.00 175.55 174.20 3i4z s PHE 346 N 0.94 2.99 -0.77 2.71 0.08 0.22 -3.69 117.98 120.46 3i4z s PHE 346 Ca -0.03 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.42 3i4z s PHE 346 Cb -0.15 -3.63 0.06 0.00 -0.57 0.00 0.00 43.02 38.74 3i4z s PHE 346 CO -0.03 -1.08 1.15 0.95 -0.10 0.00 0.00 175.22 176.10 3i4z s THR 347 N 2.94 4.15 -1.40 0.64 -4.23 -1.26 -1.60 115.64 114.88 3i4z s THR 347 Ca 0.19 -0.37 0.25 0.00 -1.18 0.00 0.00 61.69 60.58 3i4z s THR 347 Cb -0.17 -4.82 0.10 0.00 1.34 0.00 0.00 72.50 68.95 3i4z s THR 347 CO 0.14 -1.65 1.41 0.35 -0.54 0.00 0.00 174.62 174.34 3i4z n THR 348 N 6.13 0.00 -1.65 3.99 -2.24 -1.10 -4.61 114.28 114.80 3i4z n THR 348 Ca 0.07 -0.07 -0.51 0.00 -2.27 0.00 0.00 64.05 61.27 3i4z n THR 348 Cb 0.48 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 3i4z n THR 348 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3i4z n PHE 349 N -1.03 1.92 0.00 4.78 7.35 -0.79 -0.90 117.46 128.80 3i4z n PHE 349 Ca 0.09 0.44 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 3i4z n PHE 349 Cb 0.35 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.72 3i4z n PHE 349 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i4z n GLY 350 N 3.38 2.21 3.88 7.13 0.00 -0.98 -4.58 105.19 116.23 3i4z n GLY 350 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3i4z n GLY 350 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i4z s MET 351 N -0.79 3.70 0.07 1.61 -1.94 -0.08 -4.80 119.30 117.06 3i4z s MET 351 Ca 0.00 0.44 -0.33 0.00 -1.71 0.00 0.00 55.69 54.09 3i4z s MET 351 Cb 0.00 -2.34 -0.12 0.00 2.01 0.00 0.00 34.83 34.38 3i4z s MET 351 CO 0.00 -0.15 1.78 -1.71 -0.01 0.00 0.00 175.02 174.93 3i4z n ASN 352 N -1.73 3.58 -0.04 3.03 2.85 -1.26 -4.33 115.26 117.36 3i4z n ASN 352 Ca 0.02 1.01 -0.11 0.00 -0.11 0.00 0.00 54.58 55.39 3i4z n ASN 352 Cb 0.54 -1.45 0.02 0.00 1.24 0.00 0.00 39.78 40.13 3i4z n ASN 352 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3i4z h ASP 353 N 8.04 0.79 -0.08 1.20 3.32 -1.16 -2.12 116.42 126.40 3i4z h ASP 353 Ca -0.47 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.10 3i4z h ASP 353 Cb 1.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3i4z h ASP 353 CO 0.93 1.15 -0.18 0.24 -1.72 0.00 0.00 179.24 179.66 3i4z h MET 354 N 0.56 0.46 -0.28 3.56 2.86 -1.79 0.10 114.93 120.41 3i4z h MET 354 Ca 0.02 -0.15 -0.18 0.00 -2.06 0.00 0.00 59.70 57.34 3i4z h MET 354 Cb 1.07 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 3i4z h MET 354 CO 0.11 0.63 -0.53 0.00 1.06 0.00 0.00 176.91 178.17 3i4z h ALA 355 N 1.39 0.54 -0.62 6.32 0.00 -1.84 -1.06 119.26 124.00 3i4z h ALA 355 Ca 0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 3i4z h ALA 355 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3i4z h ALA 355 CO 0.04 0.68 0.23 0.28 0.00 0.00 0.00 179.25 180.48 3i4z h VAL 356 N 0.62 1.24 -0.85 0.00 2.07 -1.15 -1.23 116.25 116.95 3i4z h VAL 356 Ca 0.02 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3i4z h VAL 356 Cb 1.12 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3i4z h VAL 356 CO 0.11 0.29 0.42 0.00 0.02 0.00 0.00 177.57 178.41 3i4z h ALA 357 N 1.09 1.10 -0.48 1.67 0.00 -0.67 0.46 119.26 122.44 3i4z h ALA 357 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i4z h ALA 357 Cb 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i4z h ALA 357 CO -0.01 0.66 0.31 0.22 0.00 0.00 0.00 179.25 180.42 3i4z h ASP 358 N 1.21 0.56 -0.49 0.00 3.58 -0.95 0.72 116.42 121.05 3i4z h ASP 358 Ca 0.29 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 3i4z h ASP 358 Cb 0.11 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 3i4z h ASP 358 CO -0.04 0.42 0.27 0.00 -2.88 0.00 0.00 179.24 177.01 3i4z h ALA 359 N 1.16 0.63 -0.57 -0.78 0.00 -0.47 -1.39 119.26 117.83 3i4z h ALA 359 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i4z h ALA 359 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3i4z h ALA 359 CO -0.04 0.15 0.31 -0.07 0.00 0.00 0.00 179.25 179.60 3i4z h LEU 360 N 0.65 0.72 -0.95 0.00 3.38 -0.71 -1.74 115.31 116.66 3i4z h LEU 360 Ca 0.17 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3i4z h LEU 360 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i4z h LEU 360 CO -0.03 0.62 -0.21 0.00 0.09 0.00 0.00 178.44 178.91 3i4z h THR 361 N 0.77 1.26 -0.32 0.22 1.03 -0.63 0.17 112.91 115.40 3i4z h THR 361 Ca 0.20 -1.20 -0.04 0.00 -0.01 0.00 0.00 66.41 65.36 3i4z h THR 361 Cb 0.06 1.27 -0.01 0.00 -1.07 0.00 0.00 68.15 68.40 3i4z h THR 361 CO -0.03 0.39 0.04 0.74 -0.01 0.00 0.00 175.52 176.65 3i4z h THR 362 N 0.47 1.24 -0.46 0.00 2.02 -1.00 -1.05 112.91 114.13 3i4z h THR 362 Ca 0.07 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3i4z h THR 362 Cb 0.62 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3i4z h THR 362 CO 0.04 0.28 0.24 0.15 0.37 0.00 0.00 175.52 176.61 3i4z h PHE 363 N 0.36 0.45 -0.62 3.16 3.57 -0.69 -1.38 116.94 121.79 3i4z h PHE 363 Ca 0.10 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.67 3i4z h PHE 363 Cb 0.36 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3i4z h PHE 363 CO 0.03 0.24 0.33 0.74 -2.23 0.00 0.00 178.31 177.42 3i4z h PHE 364 N 0.49 0.61 -0.77 0.41 0.04 -0.51 -1.62 116.94 115.58 3i4z h PHE 364 Ca 0.19 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 3i4z h PHE 364 Cb 0.07 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3i4z h PHE 364 CO -0.09 0.28 0.37 1.49 -0.60 0.00 0.00 178.31 179.76 3i4z h GLU 365 N 0.62 1.12 0.00 1.51 4.57 -0.94 0.82 114.58 122.27 3i4z h GLU 365 Ca 0.28 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3i4z h GLU 365 Cb 0.19 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3i4z h GLU 365 CO -0.18 0.87 -0.23 0.00 -1.18 0.00 0.00 179.01 178.29 3i4z h ARG 366 N 1.09 0.00 -0.00 1.92 3.08 -0.60 -1.30 114.38 118.57 3i4z h ARG 366 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3i4z h ARG 366 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3i4z h ARG 366 CO -0.03 0.23 -0.07 0.54 -1.07 0.00 0.00 179.97 179.57 3i4z n ARG 367 N -3.64 0.88 -1.60 0.04 5.12 -0.67 -4.92 116.66 111.87 3i4z n ARG 367 Ca -0.01 -0.28 -0.09 0.00 -1.93 0.00 0.00 57.85 55.53 3i4z n ARG 367 Cb 0.35 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 3i4z n ARG 367 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i4z n GLY 368 N 1.21 0.71 2.92 -0.13 0.00 -0.49 -4.96 105.19 104.45 3i4z n GLY 368 Ca 0.17 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3i4z n GLY 368 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i4z n TRP 369 N -3.18 3.26 0.15 1.61 8.01 0.25 -4.82 117.44 122.71 3i4z n TRP 369 Ca -0.10 -2.87 0.00 0.00 -1.31 0.00 0.00 57.50 53.22 3i4z n TRP 369 Cb 0.41 -2.07 0.27 0.00 -2.01 0.00 0.00 31.31 27.91 3i4z n TRP 369 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3i4z h SER 370 N 5.96 0.07 0.48 -0.99 4.64 -1.90 -0.84 113.55 120.97 3i4z h SER 370 Ca 0.41 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 3i4z h SER 370 Cb 0.66 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3i4z h SER 370 CO 1.62 0.52 -0.23 -0.33 -0.87 0.00 0.00 176.83 177.54 3i4z h GLU 371 N 0.06 -0.63 -0.45 4.77 3.07 -1.96 -2.32 114.58 117.12 3i4z h GLU 371 Ca 0.00 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 58.99 3i4z h GLU 371 Cb 0.83 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 28.80 3i4z h GLU 371 CO 0.06 -0.34 -0.09 0.52 -1.40 0.00 0.00 179.01 177.76 3i4z h MET 372 N -0.84 0.02 -0.77 2.33 2.07 -1.92 -2.05 114.93 113.78 3i4z h MET 372 Ca -0.07 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.60 3i4z h MET 372 Cb 0.58 -0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.25 3i4z h MET 372 CO 0.11 0.01 0.49 0.00 1.07 0.00 0.00 176.91 178.59 3i4z h ALA 373 N 1.44 1.01 0.00 6.32 0.00 -1.10 -0.73 119.26 126.20 3i4z h ALA 373 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3i4z h ALA 373 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i4z h ALA 373 CO -0.45 0.28 -0.38 0.07 0.00 0.00 0.00 179.25 178.77 3i4z h ARG 374 N 0.94 0.00 0.00 0.00 0.11 -1.18 -3.36 114.38 110.90 3i4z h ARG 374 Ca 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.39 3i4z h ARG 374 Cb 0.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.11 3i4z h ARG 374 CO -0.12 0.38 -1.87 0.25 0.10 0.00 0.00 179.97 178.71 3i4z n THR 375 N -3.23 0.02 0.33 0.08 -2.24 -0.79 -4.74 114.28 103.72 3i4z n THR 375 Ca 0.02 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 3i4z n THR 375 Cb 0.66 0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.86 3i4z n THR 375 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3i4z h TYR 376 N 0.00 -0.85 -0.51 4.78 3.20 -1.29 -0.74 116.97 121.56 3i4z h TYR 376 Ca -0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 3i4z h TYR 376 Cb 0.89 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 3i4z h TYR 376 CO 0.00 -0.51 0.12 1.49 -1.64 0.00 0.00 178.16 177.62 3i4z h GLU 377 N -0.85 0.83 -0.63 1.82 4.81 -1.85 -0.53 114.58 118.17 3i4z h GLU 377 Ca -0.08 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3i4z h GLU 377 Cb 0.68 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3i4z h GLU 377 CO 0.10 0.79 0.41 1.15 -0.73 0.00 0.00 179.01 180.74 3i4z h THR 378 N 0.71 1.14 -0.42 0.32 2.02 -1.82 -1.35 112.91 113.51 3i4z h THR 378 Ca 0.16 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3i4z h THR 378 Cb 0.34 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3i4z h THR 378 CO 0.00 0.15 -0.12 0.74 0.37 0.00 0.00 175.52 176.67 3i4z h THR 379 N 0.83 1.27 -0.53 3.16 2.02 -0.85 -2.36 112.91 116.45 3i4z h THR 379 Ca 0.24 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 3i4z h THR 379 Cb -0.06 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3i4z h THR 379 CO -0.07 0.41 0.32 0.25 0.37 0.00 0.00 175.52 176.81 3i4z h LEU 380 N 0.64 0.64 -1.04 2.58 5.85 -0.79 -1.38 115.31 121.82 3i4z h LEU 380 Ca 0.10 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3i4z h LEU 380 Cb 0.65 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3i4z h LEU 380 CO 0.04 0.51 0.65 0.11 -0.34 0.00 0.00 178.44 179.41 3i4z h LYS 381 N 0.72 1.24 0.00 1.25 1.57 -1.19 -2.19 116.57 117.96 3i4z h LYS 381 Ca 0.19 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3i4z h LYS 381 Cb -0.02 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 3i4z h LYS 381 CO -0.04 0.82 -0.06 0.66 -0.57 0.00 0.00 179.45 180.26 3i4z h SER 382 N 1.28 0.00 0.03 0.86 4.64 -0.71 -0.89 113.55 118.76 3i4z h SER 382 Ca 0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 3i4z h SER 382 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3i4z h SER 382 CO -0.11 0.06 -0.17 1.88 -0.87 0.00 0.00 176.83 177.62 3i4z h TYR 383 N 0.00 0.29 -2.09 4.77 0.05 -1.00 -0.73 116.97 118.26 3i4z h TYR 383 Ca -0.00 -0.04 -0.56 0.00 0.05 0.00 0.00 58.73 58.18 3i4z h TYR 383 Cb 0.15 -0.08 -0.40 0.00 1.01 0.00 0.00 36.73 37.41 3i4z h TYR 383 CO 0.00 0.44 -0.93 0.66 -1.05 0.00 0.00 178.16 177.27 3i4z n TYR 384 N -4.23 1.38 0.43 4.88 4.02 -0.38 -0.67 117.16 122.60 3i4z n TYR 384 Ca -0.01 -3.83 0.13 0.00 -0.01 0.00 0.00 57.90 54.18 3i4z n TYR 384 Cb 0.31 -0.44 0.49 0.00 -0.02 0.00 0.00 39.34 39.67 3i4z n TYR 384 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3i4z h PRO 385 N 3.70 0.00 -0.02 -0.72 0.13 -1.55 -2.30 132.00 131.23 3i4z h PRO 385 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i4z h PRO 385 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3i4z h PRO 385 CO 0.61 0.00 -0.05 0.72 -0.23 0.00 0.00 178.00 179.05 3i4z n HIS 386 N -2.38 0.00 -2.06 1.56 8.25 -1.26 -4.99 115.22 114.35 3i4z n HIS 386 Ca 0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.17 3i4z n HIS 386 Cb 0.29 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3i4z n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i4z s ALA 387 N -2.06 2.90 -0.92 -1.41 0.00 -0.87 -4.97 121.76 114.43 3i4z s ALA 387 Ca 0.29 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 3i4z s ALA 387 Cb 0.20 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 20.22 3i4z s ALA 387 CO 0.34 -0.66 1.32 0.34 0.00 0.00 0.00 175.76 177.11 3i4z s ASP 388 N -3.28 6.44 0.32 0.00 -1.08 -1.26 -4.89 116.67 112.90 3i4z s ASP 388 Ca 0.60 -1.34 -0.01 0.00 -0.52 0.00 0.00 52.55 51.28 3i4z s ASP 388 Cb -0.13 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.31 3i4z s ASP 388 CO 0.41 -1.49 1.98 0.45 0.52 0.00 0.00 175.17 177.04 3i4z h HIS 389 N 9.65 0.96 0.00 -5.34 3.86 -1.93 -1.50 115.15 120.86 3i4z h HIS 389 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3i4z h HIS 389 Cb 1.02 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.17 3i4z h HIS 389 CO 1.21 0.61 0.00 -0.44 0.86 0.00 0.00 177.93 180.16 3i4z h ASP 390 N 1.04 0.00 0.05 2.45 3.32 -2.02 -2.17 116.42 119.09 3i4z h ASP 390 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3i4z h ASP 390 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3i4z h ASP 390 CO -0.06 0.00 -0.99 0.29 -1.72 0.00 0.00 179.24 176.76 3i4z n LYS 391 N -2.37 0.03 -1.98 3.56 5.02 -0.57 -4.51 118.16 117.34 3i4z n LYS 391 Ca 0.01 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3i4z n LYS 391 Cb 0.20 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3i4z n LYS 391 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i4z s LEU 392 N -3.07 4.38 -0.28 -0.35 1.43 -0.82 -4.79 118.68 115.17 3i4z s LEU 392 Ca 0.08 2.79 0.20 0.00 -1.03 0.00 0.00 54.13 56.17 3i4z s LEU 392 Cb 0.16 -3.64 0.48 0.00 0.03 0.00 0.00 46.19 43.22 3i4z s LEU 392 CO 0.85 -0.70 1.17 -0.46 0.23 0.00 0.00 176.35 177.44 3i4z n ASN 393 N 1.33 0.97 0.00 2.29 6.94 -1.26 -0.59 115.26 124.94 3i4z n ASN 393 Ca 0.03 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 3i4z n ASN 393 Cb 0.40 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3i4z n ASN 393 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i4z n TYR 394 N -0.68 0.00 -0.03 -2.53 0.18 -1.26 -2.32 117.16 110.51 3i4z n TYR 394 Ca 0.03 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.65 3i4z n TYR 394 Cb 0.82 0.05 -0.08 0.00 -0.38 0.00 0.00 39.34 39.74 3i4z n TYR 394 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3i4z h LEU 395 N 0.00 0.66 -8.28 -3.48 3.38 -1.89 -3.40 115.31 102.29 3i4z h LEU 395 Ca 0.00 -0.63 -0.63 0.00 0.09 0.00 0.00 57.88 56.71 3i4z h LEU 395 Cb 0.71 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.13 3i4z h LEU 395 CO 0.00 1.18 0.52 -1.00 0.09 0.00 0.00 178.44 179.23 3i4z s HIS 396 N -3.74 2.70 0.00 1.13 3.76 -1.26 -0.87 115.29 117.01 3i4z s HIS 396 Ca -0.12 -0.50 -0.25 0.00 -0.15 0.00 0.00 55.06 54.04 3i4z s HIS 396 Cb 0.06 -4.24 -0.19 0.00 1.11 0.00 0.00 32.58 29.32 3i4z s HIS 396 CO 0.83 -1.60 1.38 0.00 -0.85 0.00 0.00 174.74 174.51 3i4z h ALA 397 N 9.52 -0.00 -2.33 -1.40 0.00 -1.30 -2.79 119.26 120.96 3i4z h ALA 397 Ca -0.28 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.60 3i4z h ALA 397 Cb 1.07 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3i4z h ALA 397 CO 1.16 -0.31 0.48 1.52 0.00 0.00 0.00 179.25 182.11 3i4z s TYR 398 N -4.71 -0.19 -0.06 0.00 -0.85 -1.22 -1.88 117.35 108.44 3i4z s TYR 398 Ca -0.15 -0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.37 3i4z s TYR 398 Cb 0.03 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 42.98 3i4z s TYR 398 CO 0.67 -0.75 -0.20 0.42 -1.52 0.00 0.00 175.55 174.17 3i4z s ILE 399 N -3.25 1.69 0.09 -3.49 1.01 -0.63 -1.78 121.20 114.85 3i4z s ILE 399 Ca 0.10 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.96 3i4z s ILE 399 Cb -0.01 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3i4z s ILE 399 CO -0.01 0.48 -0.01 -0.94 0.00 0.00 0.00 174.94 174.46 3i4z s SER 400 N 0.17 4.99 -0.01 3.58 1.04 0.14 -0.61 113.70 123.00 3i4z s SER 400 Ca -0.09 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3i4z s SER 400 Cb -0.14 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.81 3i4z s SER 400 CO 0.04 0.18 0.01 0.12 0.98 0.00 0.00 173.24 174.58 3i4z s PHE 401 N -1.29 0.07 0.12 5.02 5.36 0.28 -1.80 117.98 125.74 3i4z s PHE 401 Ca 0.25 0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 56.26 3i4z s PHE 401 Cb -0.12 -0.16 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 3i4z s PHE 401 CO 0.18 -0.05 0.04 -1.54 -1.46 0.00 0.00 175.22 172.38 3i4z s SER 402 N 0.54 0.40 -0.18 6.13 1.04 -0.48 -1.28 113.70 119.87 3i4z s SER 402 Ca -0.05 -1.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.17 3i4z s SER 402 Cb -0.07 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.38 3i4z s SER 402 CO -0.01 -0.70 0.08 -0.47 0.98 0.00 0.00 173.24 173.12 3i4z s TYR 403 N -4.00 0.40 0.01 5.02 5.04 -1.26 -0.94 117.35 121.61 3i4z s TYR 403 Ca 0.21 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 3i4z s TYR 403 Cb 0.07 -0.79 -0.01 0.00 0.35 0.00 0.00 41.96 41.59 3i4z s TYR 403 CO 0.00 -0.56 -0.01 0.50 -1.34 0.00 0.00 175.55 174.14 3i4z s ARG 404 N 2.07 0.13 -1.55 4.97 3.52 -0.81 -4.79 118.95 122.49 3i4z s ARG 404 Ca 0.02 -0.23 -0.14 0.00 -0.13 0.00 0.00 55.73 55.25 3i4z s ARG 404 Cb -0.16 0.01 0.10 0.00 -1.56 0.00 0.00 34.95 33.34 3i4z s ARG 404 CO -0.11 -0.01 0.90 -0.25 -0.81 0.00 0.00 175.30 175.02 3i4z n ASP 405 N 2.54 -4.50 -2.97 -2.12 8.00 -1.26 -1.43 116.55 114.82 3i4z n ASP 405 Ca -0.16 -0.78 -0.20 0.00 0.71 0.00 0.00 54.79 54.36 3i4z n ASP 405 Cb 0.58 -3.61 0.01 0.00 -0.02 0.00 0.00 41.12 38.08 3i4z n ASP 405 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i4z n ARG 406 N -4.53 -3.47 -4.54 -1.24 5.12 -1.26 -4.97 116.66 101.78 3i4z n ARG 406 Ca 0.04 0.68 -0.28 0.00 -1.93 0.00 0.00 57.85 56.37 3i4z n ARG 406 Cb 0.52 -5.41 -0.17 0.00 -1.16 0.00 0.00 32.46 26.25 3i4z n ARG 406 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i4z s THR 407 N -2.94 1.43 -0.09 0.55 2.01 -0.51 -5.11 115.64 110.97 3i4z s THR 407 Ca 0.25 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 3i4z s THR 407 Cb -0.12 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3i4z s THR 407 CO 0.31 0.43 1.01 -2.16 -0.69 0.00 0.00 174.62 173.52 3i4z s PRO 408 N 0.87 4.43 -0.30 4.92 0.04 -1.26 -1.93 135.00 141.76 3i4z s PRO 408 Ca -0.10 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 3i4z s PRO 408 Cb -0.15 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 30.88 3i4z s PRO 408 CO 0.01 -0.30 0.04 0.71 0.04 0.00 0.00 177.00 177.50 3i4z s TYR 409 N 1.94 3.18 -0.15 0.56 2.02 -0.11 -4.76 117.35 120.03 3i4z s TYR 409 Ca 0.49 -1.35 0.01 0.00 -0.37 0.00 0.00 57.07 55.85 3i4z s TYR 409 Cb -0.19 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 3i4z s TYR 409 CO 0.19 -0.68 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.13 3i4z s LEU 410 N 1.40 1.95 0.08 -1.29 0.20 -1.26 -1.38 118.68 118.39 3i4z s LEU 410 Ca -0.00 -0.56 0.10 0.00 0.69 0.00 0.00 54.13 54.36 3i4z s LEU 410 Cb -0.18 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.21 3i4z s LEU 410 CO 0.01 0.02 -0.27 -0.44 -0.29 0.00 0.00 176.35 175.37 3i4z s SER 411 N 1.13 3.24 -0.05 3.68 0.01 -0.75 -0.44 113.70 120.52 3i4z s SER 411 Ca -0.01 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3i4z s SER 411 Cb -0.14 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 3i4z s SER 411 CO -0.07 0.22 -0.16 0.68 0.41 0.00 0.00 173.24 174.32 3i4z s VAL 412 N -0.92 2.92 -0.20 3.43 -7.23 -0.12 -0.68 120.40 117.59 3i4z s VAL 412 Ca 0.13 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 3i4z s VAL 412 Cb -0.10 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3i4z s VAL 412 CO 0.04 0.59 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.98 3i4z s TYR 413 N -0.63 2.86 -0.03 2.82 2.02 -0.73 -1.06 117.35 122.60 3i4z s TYR 413 Ca 0.09 -1.33 0.05 0.00 -0.37 0.00 0.00 57.07 55.52 3i4z s TYR 413 Cb -0.11 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 3i4z s TYR 413 CO 0.01 -0.69 -0.18 -0.51 -1.57 0.00 0.00 175.55 172.60 3i4z s LEU 414 N 1.38 1.98 -0.01 -1.29 1.43 -0.66 -0.99 118.68 120.51 3i4z s LEU 414 Ca 0.05 -0.36 -0.39 0.00 -1.03 0.00 0.00 54.13 52.41 3i4z s LEU 414 Cb -0.14 -0.99 -0.18 0.00 0.03 0.00 0.00 46.19 44.91 3i4z s LEU 414 CO -0.09 0.20 1.27 1.67 0.23 0.00 0.00 176.35 179.63 3i4z n GLN 415 N 2.88 0.57 -3.33 1.70 -0.06 -0.05 -3.96 117.38 115.13 3i4z n GLN 415 Ca -0.17 0.21 -0.26 0.00 -2.00 0.00 0.00 57.00 54.79 3i4z n GLN 415 Cb 0.53 -1.78 -0.08 0.00 -4.06 0.00 0.00 30.24 24.85 3i4z n GLN 415 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3i4z n SER 416 N 2.37 1.01 -3.63 1.69 7.64 -1.26 -4.94 113.62 116.49 3i4z n SER 416 Ca 0.20 -2.83 -0.05 0.00 1.01 0.00 0.00 58.87 57.21 3i4z n SER 416 Cb 0.12 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.62 3i4z n SER 416 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3i4z s PHE 417 N -1.23 -1.01 -1.04 1.43 5.36 -1.26 -4.83 117.98 115.41 3i4z s PHE 417 Ca 0.35 1.95 -0.04 0.00 -0.96 0.00 0.00 56.93 58.23 3i4z s PHE 417 Cb 0.12 0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 43.36 3i4z s PHE 417 CO -0.11 -0.50 0.90 0.39 -1.46 0.00 0.00 175.22 174.44 3i4z n GLU 418 N 4.41 -3.67 -2.94 10.12 1.02 -0.98 -5.00 120.64 123.60 3i4z n GLU 418 Ca -0.18 0.81 -0.18 0.00 -0.02 0.00 0.00 57.16 57.59 3i4z n GLU 418 Cb 0.57 -5.63 0.02 0.00 -0.02 0.00 0.00 31.44 26.38 3i4z n GLU 418 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i4z s THR 419 N -3.36 2.83 0.00 2.62 -4.23 -0.35 -4.53 115.64 108.62 3i4z s THR 419 Ca 0.27 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 3i4z s THR 419 Cb -0.04 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3i4z s THR 419 CO 0.70 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 3i4z n GLY 420 N -1.99 3.40 0.00 3.99 0.00 0.16 -2.34 105.19 108.41 3i4z n GLY 420 Ca 0.09 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3i4z n GLY 420 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i4z n ASP 421 N 3.64 0.00 -0.13 1.61 8.00 -1.26 -4.21 116.55 124.20 3i4z n ASP 421 Ca 0.00 -1.53 -0.05 0.00 0.71 0.00 0.00 54.79 53.92 3i4z n ASP 421 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3i4z n ASP 421 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3i4z h TRP 422 N 0.00 -0.51 -0.01 1.24 2.91 -1.73 -0.89 115.95 116.97 3i4z h TRP 422 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3i4z h TRP 422 Cb 0.00 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 3i4z h TRP 422 CO 0.00 -0.29 0.01 0.00 -1.03 0.00 0.00 178.44 177.13 3i4z h ALA 423 N 1.19 1.64 -0.08 2.65 0.00 -1.80 0.17 119.26 123.02 3i4z h ALA 423 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i4z h ALA 423 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i4z h ALA 423 CO -0.51 -0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.06 3i4z n VAL 424 N -4.00 0.13 0.38 0.00 0.24 -1.01 -5.14 118.33 108.93 3i4z n VAL 424 Ca -0.03 -0.57 0.11 0.00 -2.04 0.00 0.00 64.34 61.82 3i4z n VAL 424 Cb 0.09 1.23 0.19 0.00 -1.47 0.00 0.00 33.84 33.88 3i4z n VAL 424 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i4z n ALA 425 N 0.92 2.42 -1.11 2.33 0.00 0.58 -5.14 120.51 120.51 3i4z n ALA 425 Ca 0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 53.44 52.58 3i4z n ALA 425 Cb 0.42 -0.81 0.28 0.00 0.00 0.00 0.00 19.45 19.34 3i4z n ALA 425 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i4z n PRO 446 N 1.38 3.18 -1.51 0.00 -0.02 -1.26 -5.07 135.00 131.71 3i4z n PRO 446 Ca 0.17 -3.05 0.00 0.00 -2.02 0.00 0.00 63.50 58.60 3i4z n PRO 446 Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3i4z n PRO 446 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i4z n ASP 447 N -0.43 -1.89 0.27 2.55 -0.08 -1.26 -4.99 116.55 110.71 3i4z n ASP 447 Ca 0.35 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.78 3i4z n ASP 447 Cb 1.21 -0.47 0.67 0.00 2.34 0.00 0.00 41.12 44.87 3i4z n ASP 447 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3i4z h LEU 448 N 0.00 0.00 -2.52 -2.67 3.38 -1.96 -3.07 115.31 108.47 3i4z h LEU 448 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i4z h LEU 448 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3i4z h LEU 448 CO 0.00 0.08 0.09 0.77 0.09 0.00 0.00 178.44 179.46 3i4z h SER 449 N 0.00 0.00 -0.31 -0.43 4.64 -1.87 -2.08 113.55 113.50 3i4z h SER 449 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i4z h SER 449 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3i4z h SER 449 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3i4z n LYS 450 N -3.51 3.11 -3.70 4.77 5.02 -1.16 -1.68 118.16 121.01 3i4z n LYS 450 Ca -0.02 -2.75 -0.19 0.00 -2.02 0.00 0.00 58.31 53.33 3i4z n LYS 450 Cb 0.17 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.34 3i4z n LYS 450 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3i4z n THR 451 N -0.20 0.00 -3.84 -0.18 -2.24 -0.78 -4.93 114.28 102.11 3i4z n THR 451 Ca 0.20 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 3i4z n THR 451 Cb 0.84 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3i4z n THR 451 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i4z n GLY 452 N 0.57 -2.04 0.16 3.38 0.00 -1.26 -4.33 105.19 101.67 3i4z n GLY 452 Ca -0.09 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.62 3i4z n GLY 452 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i4z h VAL 453 N 0.00 0.00 -3.34 1.61 -1.51 -1.99 -3.44 116.25 107.59 3i4z h VAL 453 Ca 0.00 -0.44 -0.66 0.00 -1.23 0.00 0.00 66.70 64.37 3i4z h VAL 453 Cb 0.00 1.33 -0.19 0.00 -2.13 0.00 0.00 31.29 30.30 3i4z h VAL 453 CO 0.00 0.00 -0.83 -0.31 -1.23 0.00 0.00 177.57 175.20 3i4z s TYR 454 N -3.30 2.31 -0.19 5.19 1.51 -1.26 -5.06 117.35 116.55 3i4z s TYR 454 Ca 0.06 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.70 3i4z s TYR 454 Cb 0.10 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 3i4z s TYR 454 CO 0.51 0.47 0.02 1.52 -1.11 0.00 0.00 175.55 176.95 3i4z s TYR 455 N -1.54 3.10 -0.13 2.71 1.13 -1.26 -4.34 117.35 117.01 3i4z s TYR 455 Ca 0.19 -0.27 0.00 0.00 -1.41 0.00 0.00 57.07 55.59 3i4z s TYR 455 Cb -0.08 -2.07 0.02 0.00 -1.10 0.00 0.00 41.96 38.73 3i4z s TYR 455 CO 0.09 -0.10 -0.12 -1.12 -2.51 0.00 0.00 175.55 171.80 3i4z s SER 456 N 0.75 2.48 0.19 -0.18 0.01 -0.68 -4.95 113.70 111.32 3i4z s SER 456 Ca 0.01 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.62 3i4z s SER 456 Cb -0.14 -1.04 0.05 0.00 0.21 0.00 0.00 66.02 65.10 3i4z s SER 456 CO 0.02 -0.08 0.78 -0.83 0.41 0.00 0.00 173.24 173.54 3i4z s GLY 457 N 1.56 -0.28 0.00 3.44 0.00 -1.26 -4.27 107.32 106.51 3i4z s GLY 457 Ca 0.05 0.13 0.12 0.00 0.00 0.00 0.00 44.72 45.02 3i4z s GLY 457 CO -0.10 0.04 1.17 1.04 0.00 0.00 0.00 173.10 175.25