#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i16 s LEU 2 N 0.00 2.34 0.30 0.99 1.43 -1.26 -5.15 118.68 117.33 3i16 s LEU 2 Ca 0.00 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3i16 s LEU 2 Cb 0.00 -1.27 0.45 0.00 0.03 0.00 0.00 46.19 45.40 3i16 s LEU 2 CO 0.00 0.19 1.88 -0.08 0.23 0.00 0.00 176.35 178.58 3i16 h GLU 3 N 4.03 0.88 -0.83 1.70 4.57 -2.05 -1.44 114.58 121.43 3i16 h GLU 3 Ca -0.50 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 57.56 3i16 h GLU 3 Cb 1.16 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 3i16 h GLU 3 CO 0.41 0.71 0.55 0.66 -1.18 0.00 0.00 179.01 180.15 3i16 h SER 4 N 0.87 0.97 -0.36 1.04 4.64 -2.01 -0.38 113.55 118.31 3i16 h SER 4 Ca 0.21 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 3i16 h SER 4 Cb 0.15 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3i16 h SER 4 CO -0.02 0.71 -0.04 0.74 -0.87 0.00 0.00 176.83 177.34 3i16 h THR 5 N 1.14 1.27 -0.69 2.95 2.02 -1.82 -0.49 112.91 117.28 3i16 h THR 5 Ca 0.30 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 3i16 h THR 5 Cb -0.12 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3i16 h THR 5 CO -0.06 0.36 0.43 0.11 0.37 0.00 0.00 175.52 176.72 3i16 h LYS 6 N 0.48 0.93 -0.28 6.66 1.57 -0.76 0.35 116.57 125.53 3i16 h LYS 6 Ca 0.10 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3i16 h LYS 6 Cb 0.53 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3i16 h LYS 6 CO 0.03 0.65 -0.23 1.96 -0.57 0.00 0.00 179.45 181.29 3i16 h GLN 7 N 0.94 0.52 -0.17 3.15 1.08 -0.88 -1.70 115.11 118.06 3i16 h GLN 7 Ca 0.25 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3i16 h GLN 7 Cb -0.06 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3i16 h GLN 7 CO -0.05 0.72 -0.00 0.35 -0.95 0.00 0.00 178.83 178.89 3i16 h PHE 8 N 0.46 0.32 -0.63 2.96 3.04 -0.61 -2.71 116.94 119.78 3i16 h PHE 8 Ca 0.07 -0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.02 3i16 h PHE 8 Cb 0.65 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 3i16 h PHE 8 CO 0.02 0.52 0.41 -0.07 -2.02 0.00 0.00 178.31 177.17 3i16 h LEU 9 N 0.04 0.55 -2.08 0.59 3.38 -0.74 -1.18 115.31 115.87 3i16 h LEU 9 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3i16 h LEU 9 Cb 0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i16 h LEU 9 CO 0.01 0.36 -0.07 0.11 0.09 0.00 0.00 178.44 178.94 3i16 h LYS 10 N 0.63 0.00 0.00 1.13 1.57 -0.98 0.44 116.57 119.36 3i16 h LYS 10 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3i16 h LYS 10 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3i16 h LYS 10 CO -0.08 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 3i16 n LYS 11 N -3.95 0.09 -0.47 3.15 4.01 -0.44 -1.17 118.16 119.38 3i16 n LYS 11 Ca -0.03 0.34 0.10 0.00 -0.51 0.00 0.00 58.31 58.21 3i16 n LYS 11 Cb 0.16 -1.68 0.32 0.00 -0.51 0.00 0.00 35.03 33.33 3i16 n LYS 11 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3i16 n TYR 12 N -1.85 1.17 -2.30 2.13 4.02 0.14 -4.94 117.16 115.52 3i16 n TYR 12 Ca 0.03 -0.51 -0.17 0.00 -0.01 0.00 0.00 57.90 57.24 3i16 n TYR 12 Cb 0.19 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.39 3i16 n TYR 12 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i16 n ASN 13 N 1.31 -4.97 -4.68 7.72 5.15 -0.32 -4.97 115.26 114.51 3i16 n ASN 13 Ca 0.24 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 3i16 n ASN 13 Cb 0.71 -4.06 -0.04 0.00 -0.53 0.00 0.00 39.78 35.86 3i16 n ASN 13 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i16 s ILE 14 N -2.83 4.88 0.40 -1.44 1.01 -1.18 -4.87 121.20 117.17 3i16 s ILE 14 Ca 0.00 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.42 3i16 s ILE 14 Cb 0.00 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3i16 s ILE 14 CO 0.00 0.04 0.56 0.54 0.00 0.00 0.00 174.94 176.08 3i16 s ASN 15 N 1.12 5.73 0.37 3.58 2.20 -1.26 -4.35 114.94 122.33 3i16 s ASN 15 Ca 0.40 -0.31 0.07 0.00 -0.94 0.00 0.00 52.86 52.08 3i16 s ASN 15 Cb -0.17 -0.86 0.73 0.00 -2.00 0.00 0.00 41.25 38.95 3i16 s ASN 15 CO 0.14 -0.68 1.94 0.44 -2.94 0.00 0.00 177.10 176.00 3i16 h ASP 16 N 0.67 0.41 -0.57 3.54 3.32 -1.98 -1.59 116.42 120.22 3i16 h ASP 16 Ca -0.42 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 3i16 h ASP 16 Cb 1.27 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3i16 h ASP 16 CO 0.48 0.44 0.32 -0.09 -1.72 0.00 0.00 179.24 178.68 3i16 h ARG 17 N 0.44 0.79 -0.47 3.56 2.43 -1.95 -0.58 114.38 118.61 3i16 h ARG 17 Ca 0.10 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3i16 h ARG 17 Cb 0.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3i16 h ARG 17 CO 0.00 0.59 -0.16 0.28 -1.51 0.00 0.00 179.97 179.18 3i16 h VAL 18 N 0.77 1.27 -0.76 0.20 2.07 -1.77 -1.44 116.25 116.59 3i16 h VAL 18 Ca 0.20 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 3i16 h VAL 18 Cb 0.02 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3i16 h VAL 18 CO -0.03 0.45 0.41 -0.07 0.02 0.00 0.00 177.57 178.35 3i16 h LEU 19 N 0.78 0.95 -0.56 2.57 3.38 -1.04 0.10 115.31 121.48 3i16 h LEU 19 Ca 0.11 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3i16 h LEU 19 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i16 h LEU 19 CO 0.05 0.77 -0.25 0.50 0.09 0.00 0.00 178.44 179.61 3i16 h LYS 20 N 1.05 0.89 -0.77 1.13 1.63 -1.03 -0.62 116.57 118.84 3i16 h LYS 20 Ca 0.27 -0.39 0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3i16 h LYS 20 Cb 0.04 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3i16 h LYS 20 CO -0.04 1.04 0.51 -0.07 -3.45 0.00 0.00 179.45 177.43 3i16 h LEU 21 N 0.76 0.86 -0.33 5.20 3.38 -0.84 -1.07 115.31 123.28 3i16 h LEU 21 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i16 h LEU 21 Cb 0.80 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3i16 h LEU 21 CO 0.07 0.62 0.17 0.22 0.09 0.00 0.00 178.44 179.61 3i16 h TYR 22 N 1.02 0.46 -0.63 1.13 3.20 -0.60 -0.70 116.97 120.85 3i16 h TYR 22 Ca 0.29 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3i16 h TYR 22 Cb -0.08 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3i16 h TYR 22 CO -0.02 0.39 0.38 0.93 -1.64 0.00 0.00 178.16 178.19 3i16 h GLU 23 N 0.41 0.86 -0.18 1.82 4.39 -0.82 -2.73 114.58 118.32 3i16 h GLU 23 Ca 0.12 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3i16 h GLU 23 Cb 0.09 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3i16 h GLU 23 CO -0.02 0.61 0.07 1.15 -1.16 0.00 0.00 179.01 179.67 3i16 h THR 24 N 0.85 1.16 0.00 1.13 2.02 -1.07 -2.18 112.91 114.83 3i16 h THR 24 Ca 0.23 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3i16 h THR 24 Cb -0.02 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3i16 h THR 24 CO -0.04 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.01 3i16 n ALA 25 N -2.24 1.02 0.00 6.16 0.00 -0.28 -1.36 120.51 123.81 3i16 n ALA 25 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i16 n ALA 25 Cb 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3i16 n ALA 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i16 n ASN 27 N 0.59 0.00 -0.01 0.00 3.02 -0.82 -1.40 115.26 116.64 3i16 n ASN 27 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 3i16 n ASN 27 Cb 0.00 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.49 3i16 n ASN 27 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3i16 h ASP 28 N 0.00 0.51 0.09 6.41 3.32 -1.50 -3.24 116.42 122.01 3i16 h ASP 28 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3i16 h ASP 28 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3i16 h ASP 28 CO 0.00 0.52 -0.38 2.30 -1.72 0.00 0.00 179.24 179.96 3i16 n ILE 29 N -4.33 0.00 -0.24 0.35 -5.35 -0.49 -4.61 119.36 104.69 3i16 n ILE 29 Ca 0.02 -0.20 0.04 0.00 -0.27 0.00 0.00 62.75 62.34 3i16 n ILE 29 Cb 0.20 0.89 0.17 0.00 -1.74 0.00 0.00 39.64 39.16 3i16 n ILE 29 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3i16 h GLN 30 N 1.92 0.34 -0.05 6.28 1.08 -1.82 -1.02 115.11 121.84 3i16 h GLN 30 Ca 0.00 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3i16 h GLN 30 Cb 0.65 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3i16 h GLN 30 CO 0.00 0.23 -0.16 -0.91 -0.95 0.00 0.00 178.83 177.04 3i16 h ASN 31 N 0.35 0.07 0.22 1.46 2.35 -1.85 -2.19 115.58 115.99 3i16 h ASN 31 Ca 0.40 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.09 3i16 h ASN 31 Cb 0.62 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3i16 h ASN 31 CO -0.44 0.24 -0.19 1.56 -1.65 0.00 0.00 177.43 176.95 3i16 h GLN 32 N 0.08 0.00 -0.08 0.81 1.08 -1.50 -2.75 115.11 112.74 3i16 h GLN 32 Ca 0.02 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 3i16 h GLN 32 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3i16 h GLN 32 CO 0.02 0.19 -0.52 0.74 -0.95 0.00 0.00 178.83 178.31 3i16 h PHE 33 N 0.00 0.29 -0.74 2.96 -1.00 -1.36 -3.23 116.94 113.86 3i16 h PHE 33 Ca -0.00 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.72 3i16 h PHE 33 Cb 0.35 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 3i16 h PHE 33 CO 0.00 0.71 0.45 0.87 -1.61 0.00 0.00 178.31 178.73 3i16 h LYS 34 N 0.18 0.85 -0.58 1.51 1.57 -1.55 -1.39 116.57 117.16 3i16 h LYS 34 Ca 0.00 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3i16 h LYS 34 Cb 0.98 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 3i16 h LYS 34 CO 0.08 0.56 0.33 0.82 -0.57 0.00 0.00 179.45 180.67 3i16 h ILE 35 N 0.87 1.02 -0.65 1.86 2.04 -1.66 -2.37 117.51 118.62 3i16 h ILE 35 Ca 0.31 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3i16 h ILE 35 Cb 0.07 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 3i16 h ILE 35 CO -0.13 0.12 0.15 -0.07 0.00 0.00 0.00 178.15 178.21 3i16 h LEU 36 N 0.64 0.97 -1.14 1.44 3.38 -1.35 -2.75 115.31 116.50 3i16 h LEU 36 Ca 0.24 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3i16 h LEU 36 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3i16 h LEU 36 CO -0.13 0.94 -0.19 0.44 0.09 0.00 0.00 178.44 179.59 3i16 h ASP 37 N 0.97 0.36 -0.46 -0.43 3.32 -0.80 -0.12 116.42 119.26 3i16 h ASP 37 Ca 0.20 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3i16 h ASP 37 Cb 0.36 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3i16 h ASP 37 CO 0.00 0.57 0.06 0.44 -1.72 0.00 0.00 179.24 178.59 3i16 h ASP 38 N 0.34 0.75 -0.37 6.45 3.32 -1.21 -1.21 116.42 124.48 3i16 h ASP 38 Ca 0.06 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 3i16 h ASP 38 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3i16 h ASP 38 CO 0.04 0.83 0.04 0.40 -1.72 0.00 0.00 179.24 178.83 3i16 h ILE 39 N 0.64 1.24 -0.82 0.35 2.04 -1.21 -3.00 117.51 116.75 3i16 h ILE 39 Ca 0.14 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3i16 h ILE 39 Cb 0.41 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3i16 h ILE 39 CO 0.01 0.30 0.46 -0.09 0.00 0.00 0.00 178.15 178.83 3i16 h ARG 40 N 0.45 1.14 0.02 2.37 2.43 -0.82 -1.07 114.38 118.90 3i16 h ARG 40 Ca 0.11 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3i16 h ARG 40 Cb 0.39 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3i16 h ARG 40 CO 0.01 0.82 -0.09 1.49 -1.51 0.00 0.00 179.97 180.70 3i16 h GLU 41 N 1.14 -0.16 -0.39 0.20 4.81 -1.22 0.19 114.58 119.14 3i16 h GLU 41 Ca 0.29 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3i16 h GLU 41 Cb 0.01 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3i16 h GLU 41 CO -0.05 -0.11 0.21 0.35 -0.73 0.00 0.00 179.01 178.68 3i16 h PHE 42 N -0.16 0.39 -0.12 0.92 3.57 -1.31 -2.27 116.94 117.95 3i16 h PHE 42 Ca 0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3i16 h PHE 42 Cb 0.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3i16 h PHE 42 CO -0.14 0.21 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.03 3i16 h ASN 43 N 0.42 0.20 -0.38 0.41 2.35 -0.87 0.64 115.58 118.34 3i16 h ASN 43 Ca 0.16 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3i16 h ASN 43 Cb 0.05 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3i16 h ASN 43 CO -0.10 0.43 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.39 3i16 h GLN 44 N 0.19 0.75 -0.62 0.81 5.75 -0.34 -2.13 115.11 119.52 3i16 h GLN 44 Ca 0.03 -0.29 -0.09 0.00 -0.15 0.00 0.00 58.65 58.15 3i16 h GLN 44 Cb 0.49 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3i16 h GLN 44 CO 0.03 0.89 0.03 1.25 -2.65 0.00 0.00 178.83 178.38 3i16 h LEU 45 N 0.55 1.05 -0.38 -2.39 5.85 -0.83 -1.14 115.31 118.02 3i16 h LEU 45 Ca 0.10 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3i16 h LEU 45 Cb 0.62 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3i16 h LEU 45 CO 0.04 1.08 0.13 0.50 -0.34 0.00 0.00 178.44 179.85 3i16 h LYS 46 N 0.99 0.28 -0.36 1.25 3.64 -0.74 0.26 116.57 121.88 3i16 h LYS 46 Ca 0.18 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3i16 h LYS 46 Cb 0.53 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3i16 h LYS 46 CO 0.03 0.19 -0.24 0.28 -2.27 0.00 0.00 179.45 177.43 3i16 h VAL 47 N 0.29 1.28 -0.40 2.00 2.07 -1.23 -2.34 116.25 117.93 3i16 h VAL 47 Ca 0.17 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.32 3i16 h VAL 47 Cb 0.15 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3i16 h VAL 47 CO -0.18 0.46 0.25 0.25 0.02 0.00 0.00 177.57 178.37 3i16 h LEU 48 N 0.60 0.42 -0.69 2.57 5.85 -0.94 -2.12 115.31 120.99 3i16 h LEU 48 Ca 0.07 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3i16 h LEU 48 Cb 0.80 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3i16 h LEU 48 CO 0.07 0.30 0.43 -1.13 -0.34 0.00 0.00 178.44 177.77 3i16 h ASN 49 N 0.51 0.70 -0.78 1.25 -0.73 -0.88 -1.82 115.58 113.82 3i16 h ASN 49 Ca 0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.33 3i16 h ASN 49 Cb -0.03 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.38 3i16 h ASN 49 CO -0.05 0.48 0.51 0.00 -0.37 0.00 0.00 177.43 177.99 3i16 h ALA 50 N 1.30 0.99 -0.52 1.57 0.00 -0.98 -0.26 119.26 121.37 3i16 h ALA 50 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3i16 h ALA 50 Cb 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3i16 h ALA 50 CO -0.11 0.42 0.28 0.74 0.00 0.00 0.00 179.25 180.58 3i16 h PHE 51 N 1.06 0.53 -0.32 0.00 -1.00 -0.87 -2.75 116.94 113.58 3i16 h PHE 51 Ca 0.28 0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.92 3i16 h PHE 51 Cb -0.10 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.29 3i16 h PHE 51 CO -0.02 0.28 -0.45 1.96 -1.61 0.00 0.00 178.31 178.47 3i16 h GLN 52 N 0.56 0.84 -0.36 1.51 4.20 -0.69 -2.31 115.11 118.86 3i16 h GLN 52 Ca 0.22 -0.48 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 3i16 h GLN 52 Cb 0.08 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3i16 h GLN 52 CO -0.13 1.11 0.07 0.93 -0.67 0.00 0.00 178.83 180.15 3i16 h GLU 53 N 0.67 0.53 -0.06 1.46 4.39 -1.03 -1.51 114.58 119.04 3i16 h GLU 53 Ca 0.04 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3i16 h GLU 53 Cb 1.03 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3i16 h GLU 53 CO 0.10 0.50 0.00 0.39 -1.16 0.00 0.00 179.01 178.84 3i16 n GLU 54 N -4.33 1.44 -3.82 2.33 -0.58 -1.04 -4.94 120.64 109.69 3i16 n GLU 54 Ca 0.02 -0.64 -0.25 0.00 -0.42 0.00 0.00 57.16 55.87 3i16 n GLU 54 Cb 0.20 -1.42 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 3i16 n GLU 54 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i16 n ARG 55 N -0.18 -4.71 -1.93 3.49 1.74 -0.57 -4.88 116.66 109.62 3i16 n ARG 55 Ca 0.18 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 3i16 n ARG 55 Cb 0.25 -5.13 -0.03 0.00 -1.02 0.00 0.00 32.46 26.53 3i16 n ARG 55 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i16 s ILE 56 N -3.62 2.56 0.37 0.55 -1.09 -1.05 -5.00 121.20 113.92 3i16 s ILE 56 Ca 0.20 0.42 0.04 0.00 -2.23 0.00 0.00 60.65 59.08 3i16 s ILE 56 Cb -0.10 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 3i16 s ILE 56 CO 0.84 0.05 0.15 -0.94 -1.23 0.00 0.00 174.94 173.81 3i16 s SER 57 N 0.88 2.30 0.56 3.58 1.04 -1.26 -4.99 113.70 115.81 3i16 s SER 57 Ca 0.67 -1.64 0.30 0.00 0.48 0.00 0.00 55.95 55.75 3i16 s SER 57 Cb -0.44 0.46 1.67 0.00 0.10 0.00 0.00 66.02 67.81 3i16 s SER 57 CO 0.36 -0.93 2.17 -0.33 0.98 0.00 0.00 173.24 175.49 3i16 h GLU 58 N 1.96 0.00 0.00 4.02 5.08 -2.00 -1.66 114.58 121.98 3i16 h GLU 58 Ca -0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3i16 h GLU 58 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3i16 h GLU 58 CO 0.53 0.06 -0.01 0.00 -1.00 0.00 0.00 179.01 178.59 3i16 h ALA 59 N 1.94 1.06 -0.00 3.43 0.00 -1.98 -1.58 119.26 122.12 3i16 h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i16 h ALA 59 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i16 h ALA 59 CO 0.01 0.01 -0.06 0.72 0.00 0.00 0.00 179.25 179.93 3i16 n HIS 60 N -3.18 0.00 -2.21 0.00 8.25 -0.62 -4.23 115.22 113.23 3i16 n HIS 60 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3i16 n HIS 60 Cb 0.12 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3i16 n HIS 60 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3i16 n PHE 61 N -1.27 2.81 -1.79 4.41 3.72 -0.60 -3.93 117.46 120.81 3i16 n PHE 61 Ca 0.12 -2.80 -0.32 0.00 -0.05 0.00 0.00 57.45 54.40 3i16 n PHE 61 Cb 0.28 -1.93 0.04 0.00 -0.94 0.00 0.00 39.48 36.93 3i16 n PHE 61 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3i16 s THR 62 N -0.02 3.64 -0.50 4.37 -4.23 -1.26 -4.92 115.64 112.72 3i16 s THR 62 Ca 0.44 0.70 0.08 0.00 -1.18 0.00 0.00 61.69 61.73 3i16 s THR 62 Cb 0.12 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 71.00 3i16 s THR 62 CO -0.03 -0.54 0.72 -3.20 -0.54 0.00 0.00 174.62 171.04 3i16 n ASN 63 N -2.50 2.35 -4.78 3.99 5.15 -1.26 -4.58 115.26 113.62 3i16 n ASN 63 Ca 0.09 -3.20 -0.33 0.00 -0.60 0.00 0.00 54.58 50.53 3i16 n ASN 63 Cb 0.53 -0.63 0.03 0.00 -0.53 0.00 0.00 39.78 39.18 3i16 n ASN 63 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3i16 s SER 64 N -2.32 5.38 0.29 1.20 1.04 -1.26 -4.92 113.70 113.11 3i16 s SER 64 Ca 0.41 1.98 0.03 0.00 0.48 0.00 0.00 55.95 58.84 3i16 s SER 64 Cb 0.22 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 3i16 s SER 64 CO -0.08 -1.45 0.14 -0.94 0.98 0.00 0.00 173.24 171.90 3i16 s SER 65 N -2.50 1.41 0.86 7.02 1.04 -1.26 -4.22 113.70 116.04 3i16 s SER 65 Ca 0.67 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3i16 s SER 65 Cb -0.20 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3i16 s SER 65 CO 0.38 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3i16 n GLY 66 N -0.55 2.74 0.32 7.32 0.00 -1.26 -1.67 105.19 112.09 3i16 n GLY 66 Ca 0.01 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.05 3i16 n GLY 66 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i16 h TYR 67 N 0.00 0.00 -1.18 1.61 0.05 -1.98 -3.29 116.97 112.18 3i16 h TYR 67 Ca 0.00 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.47 3i16 h TYR 67 Cb 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.65 3i16 h TYR 67 CO 0.00 0.00 -0.31 0.41 -1.05 0.00 0.00 178.16 177.21 3i16 n GLY 68 N -1.22 0.97 3.76 3.88 0.00 -0.67 -0.45 105.19 111.46 3i16 n GLY 68 Ca -0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3i16 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i16 s TYR 69 N -2.62 2.99 -1.26 1.61 5.04 -1.26 -2.79 117.35 119.05 3i16 s TYR 69 Ca 0.00 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 3i16 s TYR 69 Cb 0.00 -3.75 0.00 0.00 0.35 0.00 0.00 41.96 38.56 3i16 s TYR 69 CO 0.00 -2.20 0.00 0.41 -1.34 0.00 0.00 175.55 172.42 3i16 n GLY 70 N 1.16 -0.15 3.58 8.97 0.00 -1.26 -4.96 105.19 112.54 3i16 n GLY 70 Ca 0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3i16 n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i16 s ASP 71 N -2.37 6.50 0.23 1.61 -1.08 -1.12 -4.88 116.67 115.56 3i16 s ASP 71 Ca 0.00 0.20 0.03 0.00 -0.52 0.00 0.00 52.55 52.26 3i16 s ASP 71 Cb 0.00 -2.55 0.22 0.00 -1.46 0.00 0.00 42.92 39.13 3i16 s ASP 71 CO 0.00 -1.41 1.55 0.16 0.52 0.00 0.00 175.17 175.99 3i16 h ILE 72 N 6.18 1.37 -0.20 4.11 3.07 -1.92 -2.04 117.51 128.08 3i16 h ILE 72 Ca -0.24 -1.95 0.03 0.00 1.55 0.00 0.00 64.86 64.25 3i16 h ILE 72 Cb 1.06 1.96 -0.03 0.00 -0.27 0.00 0.00 36.82 39.54 3i16 h ILE 72 CO 1.17 0.58 0.04 1.23 -1.05 0.00 0.00 178.15 180.11 3i16 h GLY 73 N 1.39 0.22 0.77 0.16 0.00 -1.85 0.32 103.07 104.07 3i16 h GLY 73 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3i16 h GLY 73 CO 0.10 -0.01 -0.03 -0.09 0.00 0.00 0.00 176.54 176.51 3i16 h ARG 74 N 0.11 0.28 -0.71 4.80 2.43 -1.82 -2.42 114.38 117.06 3i16 h ARG 74 Ca 0.09 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3i16 h ARG 74 Cb 0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3i16 h ARG 74 CO -0.12 0.55 0.23 -0.44 -1.51 0.00 0.00 179.97 178.68 3i16 h ASP 75 N -0.01 1.03 0.75 -3.80 3.32 -1.23 -2.61 116.42 113.87 3i16 h ASP 75 Ca 0.04 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 3i16 h ASP 75 Cb 0.44 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3i16 h ASP 75 CO 0.01 0.96 -0.44 0.28 -1.72 0.00 0.00 179.24 178.33 3i16 h SER 76 N 1.04 0.00 -0.19 6.45 0.02 -0.40 -2.83 113.55 117.64 3i16 h SER 76 Ca 0.23 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 3i16 h SER 76 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3i16 h SER 76 CO -0.01 0.44 -0.48 0.25 -1.14 0.00 0.00 176.83 175.89 3i16 h LEU 77 N 0.00 0.82 -0.78 5.07 5.85 -1.17 -0.08 115.31 125.03 3i16 h LEU 77 Ca -0.00 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3i16 h LEU 77 Cb 0.93 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3i16 h LEU 77 CO 0.06 1.16 0.48 0.44 -0.34 0.00 0.00 178.44 180.24 3i16 h ASP 78 N 0.60 0.92 -0.54 1.25 3.32 -1.39 -1.11 116.42 119.47 3i16 h ASP 78 Ca 0.03 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3i16 h ASP 78 Cb 1.05 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 3i16 h ASP 78 CO 0.10 0.71 0.03 0.00 -1.72 0.00 0.00 179.24 178.36 3i16 h ALA 79 N 1.26 0.73 -0.45 3.45 0.00 -1.24 -0.85 119.26 122.15 3i16 h ALA 79 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i16 h ALA 79 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3i16 h ALA 79 CO -0.05 0.52 0.24 0.28 0.00 0.00 0.00 179.25 180.24 3i16 h VAL 80 N 0.82 1.17 -0.61 0.00 2.07 -0.78 -1.87 116.25 117.05 3i16 h VAL 80 Ca 0.16 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3i16 h VAL 80 Cb 0.49 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3i16 h VAL 80 CO 0.02 0.18 0.40 1.88 0.02 0.00 0.00 177.57 180.07 3i16 h TYR 81 N 0.60 0.76 -0.96 1.57 -1.99 -0.93 -1.37 116.97 114.64 3i16 h TYR 81 Ca 0.16 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.91 3i16 h TYR 81 Cb 0.07 -0.26 -0.05 0.00 2.00 0.00 0.00 36.73 38.50 3i16 h TYR 81 CO -0.02 0.47 0.60 0.00 -0.00 0.00 0.00 178.16 179.22 3i16 h ALA 82 N 1.23 1.22 -0.43 3.88 0.00 -0.99 -1.04 119.26 123.12 3i16 h ALA 82 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3i16 h ALA 82 Cb -0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 3i16 h ALA 82 CO -0.06 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 3i16 h ARG 83 N 1.31 0.78 -0.49 0.00 3.08 -1.03 0.15 114.38 118.19 3i16 h ARG 83 Ca 0.35 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3i16 h ARG 83 Cb -0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3i16 h ARG 83 CO -0.07 0.87 0.30 0.28 -1.07 0.00 0.00 179.97 180.28 3i16 h VAL 84 N 0.62 1.08 -0.01 2.04 2.07 -0.71 -2.61 116.25 118.73 3i16 h VAL 84 Ca 0.12 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3i16 h VAL 84 Cb 0.53 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3i16 h VAL 84 CO 0.03 0.11 -0.01 0.49 0.02 0.00 0.00 177.57 178.21 3i16 n PHE 85 N -4.79 0.00 -3.76 1.57 3.72 -0.45 -4.96 117.46 108.80 3i16 n PHE 85 Ca 0.03 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 3i16 n PHE 85 Cb 0.05 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3i16 n PHE 85 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i16 n ASN 86 N -0.18 -1.61 -4.68 4.37 3.02 0.24 -4.42 115.26 112.00 3i16 n ASN 86 Ca 0.20 -0.83 -0.26 0.00 -0.03 0.00 0.00 54.58 53.66 3i16 n ASN 86 Cb 0.29 -3.92 -0.09 0.00 -0.61 0.00 0.00 39.78 35.46 3i16 n ASN 86 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i16 s THR 87 N -3.65 2.30 0.13 3.41 -4.23 0.27 -4.86 115.64 109.01 3i16 s THR 87 Ca 0.10 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 3i16 s THR 87 Cb -0.05 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 3i16 s THR 87 CO 0.82 -0.05 1.52 -0.33 -0.54 0.00 0.00 174.62 176.05 3i16 h GLU 88 N 1.62 0.78 -4.43 3.99 5.08 -1.82 -3.42 114.58 116.38 3i16 h GLU 88 Ca -0.43 -0.31 -0.24 0.00 -1.00 0.00 0.00 59.36 57.37 3i16 h GLU 88 Cb 1.25 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.33 3i16 h GLU 88 CO 0.72 0.93 -0.48 -1.12 -1.00 0.00 0.00 179.01 178.06 3i16 s SER 89 N -6.42 0.38 0.08 1.42 0.01 -0.12 -4.84 113.70 104.21 3i16 s SER 89 Ca -0.12 -1.37 -0.19 0.00 1.31 0.00 0.00 55.95 55.58 3i16 s SER 89 Cb 0.10 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.84 3i16 s SER 89 CO 0.82 -0.96 0.44 0.00 0.41 0.00 0.00 173.24 173.96 3i16 s ALA 90 N -3.95 -1.09 -0.22 1.44 0.00 -1.26 -1.04 121.76 115.64 3i16 s ALA 90 Ca 0.36 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 3i16 s ALA 90 Cb 0.04 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.76 3i16 s ALA 90 CO 0.14 -0.56 0.06 -1.17 0.00 0.00 0.00 175.76 174.24 3i16 s LEU 91 N -2.35 1.23 -0.22 0.00 2.96 0.16 -4.82 118.68 115.64 3i16 s LEU 91 Ca -0.02 -1.00 0.02 0.00 -0.22 0.00 0.00 54.13 52.92 3i16 s LEU 91 Cb 0.00 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.14 3i16 s LEU 91 CO -0.07 -0.34 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.78 3i16 s VAL 92 N 1.86 2.08 -0.04 1.68 1.01 -1.26 -1.13 120.40 124.60 3i16 s VAL 92 Ca 0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 61.98 60.69 3i16 s VAL 92 Cb -0.17 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3i16 s VAL 92 CO -0.14 0.24 0.10 -0.13 0.00 0.00 0.00 175.10 175.18 3i16 s ARG 93 N 1.21 0.10 0.44 2.72 1.81 -0.75 -4.88 118.95 119.60 3i16 s ARG 93 Ca -0.02 0.19 0.30 0.00 -1.72 0.00 0.00 55.73 54.48 3i16 s ARG 93 Cb -0.17 -0.01 1.30 0.00 -0.45 0.00 0.00 34.95 35.62 3i16 s ARG 93 CO -0.09 -0.05 1.90 -1.00 -0.68 0.00 0.00 175.30 175.38 3i16 h PRO 94 N 6.34 0.00 0.00 3.54 0.13 -1.86 -1.87 132.00 138.27 3i16 h PRO 94 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3i16 h PRO 94 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i16 h PRO 94 CO 0.45 0.00 -0.04 0.45 -0.23 0.00 0.00 178.00 178.62 3i16 h HIS 95 N 0.00 0.00 -3.13 1.56 3.86 -1.94 -3.33 115.15 112.18 3i16 h HIS 95 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3i16 h HIS 95 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3i16 h HIS 95 CO 0.00 0.04 0.64 -0.06 0.86 0.00 0.00 177.93 179.41 3i16 s PHE 96 N -3.84 3.29 -0.29 2.45 0.08 -1.21 -4.92 117.98 113.54 3i16 s PHE 96 Ca -0.01 1.24 0.23 0.00 0.12 0.00 0.00 56.93 58.51 3i16 s PHE 96 Cb 0.11 -3.43 0.45 0.00 -0.57 0.00 0.00 43.02 39.57 3i16 s PHE 96 CO 0.53 -1.33 1.64 -0.39 -0.10 0.00 0.00 175.22 175.56 3i16 h VAL 97 N 4.78 0.20 -2.34 -0.44 -1.51 -1.89 -2.98 116.25 112.06 3i16 h VAL 97 Ca -0.38 -1.18 0.25 0.00 -1.23 0.00 0.00 66.70 64.16 3i16 h VAL 97 Cb 1.19 2.01 -0.05 0.00 -2.13 0.00 0.00 31.29 32.31 3i16 h VAL 97 CO 0.85 0.11 0.73 -0.46 -1.23 0.00 0.00 177.57 177.57 3i16 n ASN 98 N -3.14 -1.45 -0.14 4.19 0.23 -1.26 -4.75 115.26 108.94 3i16 n ASN 98 Ca 0.03 -1.58 -0.05 0.00 -0.53 0.00 0.00 54.58 52.46 3i16 n ASN 98 Cb 0.54 2.31 0.15 0.00 -2.08 0.00 0.00 39.78 40.70 3i16 n ASN 98 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3i16 h GLY 99 N 1.95 0.93 1.00 4.83 0.00 -1.86 -2.80 103.07 107.11 3i16 h GLY 99 Ca -0.24 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 46.54 3i16 h GLY 99 CO 0.33 0.55 0.56 -0.84 0.00 0.00 0.00 176.54 177.14 3i16 h THR 100 N 0.81 1.11 -0.16 4.70 2.02 -1.96 -1.33 112.91 118.11 3i16 h THR 100 Ca 0.17 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3i16 h THR 100 Cb 0.40 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3i16 h THR 100 CO 0.01 0.19 0.10 -0.74 0.37 0.00 0.00 175.52 175.44 3i16 h HIS 101 N 1.02 0.20 -0.56 3.16 6.17 -1.90 0.88 115.15 124.13 3i16 h HIS 101 Ca 0.35 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.43 3i16 h HIS 101 Cb 0.09 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 29.93 3i16 h HIS 101 CO -0.00 0.16 0.36 0.00 0.71 0.00 0.00 177.93 179.16 3i16 h ALA 102 N 1.03 0.71 -0.32 5.26 0.00 -1.31 0.40 119.26 125.02 3i16 h ALA 102 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i16 h ALA 102 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i16 h ALA 102 CO -0.01 0.15 0.08 -0.07 0.00 0.00 0.00 179.25 179.40 3i16 h LEU 103 N 0.75 0.48 -0.79 0.00 3.38 -1.05 -2.09 115.31 115.99 3i16 h LEU 103 Ca 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3i16 h LEU 103 Cb -0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3i16 h LEU 103 CO -0.04 0.59 0.39 1.23 0.09 0.00 0.00 178.44 180.70 3i16 h GLY 104 N 0.35 1.21 1.02 0.83 0.00 -0.60 -1.96 103.07 103.93 3i16 h GLY 104 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3i16 h GLY 104 CO 0.00 0.56 0.55 0.00 0.00 0.00 0.00 176.54 177.65 3i16 h ALA 105 N 1.20 1.19 -0.39 3.60 0.00 -0.77 -0.44 119.26 123.65 3i16 h ALA 105 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3i16 h ALA 105 Cb 0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3i16 h ALA 105 CO -0.04 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.04 3i16 h ALA 106 N 1.30 0.47 0.30 0.00 0.00 -0.79 0.17 119.26 120.71 3i16 h ALA 106 Ca 0.33 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3i16 h ALA 106 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i16 h ALA 106 CO -0.06 -0.22 -0.14 -0.07 0.00 0.00 0.00 179.25 178.76 3i16 h LEU 107 N 0.34 -0.34 -1.46 0.00 3.38 -1.00 -1.24 115.31 115.00 3i16 h LEU 107 Ca 0.18 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3i16 h LEU 107 Cb 0.13 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3i16 h LEU 107 CO -0.16 0.12 0.40 -0.26 0.09 0.00 0.00 178.44 178.63 3i16 h PHE 108 N -0.92 0.68 -0.53 1.13 0.04 -1.15 -0.81 116.94 115.39 3i16 h PHE 108 Ca -0.04 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 3i16 h PHE 108 Cb 0.51 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3i16 h PHE 108 CO 0.04 0.40 -0.02 0.78 -0.60 0.00 0.00 178.31 178.92 3i16 h GLY 109 N 0.71 0.99 -1.74 -1.45 0.00 -0.61 -3.30 103.07 97.67 3i16 h GLY 109 Ca 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3i16 h GLY 109 CO -0.06 0.65 0.00 0.70 0.00 0.00 0.00 176.54 177.83 3i16 n ASN 110 N -4.19 2.80 -4.39 0.19 3.02 -0.47 -4.53 115.26 107.69 3i16 n ASN 110 Ca 0.03 -1.90 -0.30 0.00 -0.03 0.00 0.00 54.58 52.38 3i16 n ASN 110 Cb 0.33 -0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.37 3i16 n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i16 s LEU 111 N -1.79 2.35 0.15 3.41 1.43 -0.36 -5.01 118.68 118.86 3i16 s LEU 111 Ca 0.25 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3i16 s LEU 111 Cb 0.18 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3i16 s LEU 111 CO 0.27 0.22 -0.09 -0.13 0.23 0.00 0.00 176.35 176.85 3i16 s ARG 112 N -1.64 1.05 0.23 1.70 1.81 -1.26 -4.84 118.95 116.01 3i16 s ARG 112 Ca 0.14 -1.45 -0.30 0.00 -1.72 0.00 0.00 55.73 52.39 3i16 s ARG 112 Cb -0.10 -0.58 -0.15 0.00 -0.45 0.00 0.00 34.95 33.67 3i16 s ARG 112 CO 0.05 0.06 1.14 -2.30 -0.68 0.00 0.00 175.30 173.56 3i16 n PRO 113 N -0.19 1.39 0.00 3.54 -0.02 -1.26 -1.04 135.00 137.42 3i16 n PRO 113 Ca -0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i16 n PRO 113 Cb 0.61 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3i16 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i16 n GLY 114 N 1.69 2.92 3.76 -1.23 0.00 -0.14 -4.97 105.19 107.23 3i16 n GLY 114 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3i16 n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i16 s ASN 115 N 0.79 4.74 0.00 1.61 0.02 -0.21 -4.82 114.94 117.07 3i16 s ASN 115 Ca 0.00 1.94 0.00 0.00 -1.02 0.00 0.00 52.86 53.78 3i16 s ASN 115 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.73 3i16 s ASN 115 CO 0.00 -1.88 0.00 0.41 0.02 0.00 0.00 177.10 175.65 3i16 n THR 116 N -2.96 0.00 -3.21 1.60 -1.04 -0.47 -1.27 114.28 106.92 3i16 n THR 116 Ca 0.10 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.15 3i16 n THR 116 Cb 0.52 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.01 3i16 n THR 116 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i16 s LEU 118 N 0.00 -0.49 -0.18 -4.42 2.96 -0.48 -1.64 118.68 114.44 3i16 s LEU 118 Ca 0.00 0.41 -0.23 0.00 -0.22 0.00 0.00 54.13 54.10 3i16 s LEU 118 Cb 0.00 1.45 -0.02 0.00 0.50 0.00 0.00 46.19 48.12 3i16 s LEU 118 CO 0.00 -0.09 0.72 -0.44 -1.32 0.00 0.00 176.35 175.22 3i16 s SER 119 N 2.74 6.82 0.00 3.68 0.01 -0.44 -0.90 113.70 125.62 3i16 s SER 119 Ca -0.00 1.01 0.19 0.00 1.31 0.00 0.00 55.95 58.45 3i16 s SER 119 Cb -0.09 -2.40 0.09 0.00 0.21 0.00 0.00 66.02 63.84 3i16 s SER 119 CO -0.13 -0.32 1.04 1.33 0.41 0.00 0.00 173.24 175.57 3i16 n VAL 120 N 4.65 0.00 -1.52 3.43 0.24 -0.78 -0.61 118.33 123.74 3i16 n VAL 120 Ca 0.01 -0.43 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 3i16 n VAL 120 Cb 0.49 1.33 0.13 0.00 -1.47 0.00 0.00 33.84 34.33 3i16 n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i16 n GLY 122 N -1.00 -1.20 3.74 0.00 0.00 -0.75 -4.62 105.19 101.36 3i16 n GLY 122 Ca 0.47 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3i16 n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i16 s GLU 123 N 0.00 4.37 0.96 1.61 2.12 -1.26 -4.84 118.70 121.66 3i16 s GLU 123 Ca 0.00 2.10 -0.12 0.00 0.36 0.00 0.00 54.97 57.31 3i16 s GLU 123 Cb 0.00 -3.18 0.17 0.00 0.26 0.00 0.00 34.13 31.38 3i16 s GLU 123 CO 0.00 -0.28 1.09 -2.14 -0.54 0.00 0.00 175.26 173.38 3i16 s PRO 124 N -0.17 0.70 0.50 4.30 0.02 -1.26 -4.94 135.00 134.16 3i16 s PRO 124 Ca 0.57 0.71 -0.23 0.00 0.02 0.00 0.00 61.00 62.07 3i16 s PRO 124 Cb -0.37 -1.75 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 3i16 s PRO 124 CO 0.39 -2.59 1.35 2.48 -0.33 0.00 0.00 177.00 178.29 3i16 n TYR 125 N -4.11 2.32 -0.29 6.54 4.11 -1.26 -4.84 117.16 119.62 3i16 n TYR 125 Ca 0.06 0.44 0.04 0.00 -0.00 0.00 0.00 57.90 58.44 3i16 n TYR 125 Cb 0.56 -2.38 0.10 0.00 -0.00 0.00 0.00 39.34 37.61 3i16 n TYR 125 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 3i16 n ASP 126 N -0.58 -0.34 0.17 9.48 9.92 -1.26 -1.26 116.55 132.68 3i16 n ASP 126 Ca 0.09 1.38 0.13 0.00 -0.53 0.00 0.00 54.79 55.85 3i16 n ASP 126 Cb 0.43 -0.39 0.58 0.00 -0.64 0.00 0.00 41.12 41.10 3i16 n ASP 126 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3i16 h THR 127 N 0.00 0.00 0.00 -3.53 1.35 -1.80 -2.00 112.91 106.93 3i16 h THR 127 Ca 0.36 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 3i16 h THR 127 Cb 0.56 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3i16 h THR 127 CO -0.82 0.00 -0.15 -0.11 -0.25 0.00 0.00 175.52 174.20 3i16 n LEU 128 N -2.44 0.74 -0.33 3.87 7.94 -0.39 -3.99 117.00 122.40 3i16 n LEU 128 Ca 0.01 0.48 -0.03 0.00 -1.11 0.00 0.00 56.01 55.36 3i16 n LEU 128 Cb 0.20 -0.30 0.11 0.00 0.53 0.00 0.00 43.42 43.96 3i16 n LEU 128 CO 0.19 -0.14 1.20 0.45 -1.11 0.00 0.00 177.39 177.98 3i16 h HIS 129 N 0.00 1.21 0.00 1.96 3.86 -1.49 -1.26 115.15 119.43 3i16 h HIS 129 Ca 0.00 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 3i16 h HIS 129 Cb 0.72 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3i16 h HIS 129 CO 0.00 0.82 -0.65 -0.44 0.86 0.00 0.00 177.93 178.52 3i16 h ASP 130 N 1.25 0.00 -0.39 2.45 3.32 -1.78 0.77 116.42 122.04 3i16 h ASP 130 Ca 0.32 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 3i16 h ASP 130 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3i16 h ASP 130 CO -0.06 0.65 -0.08 0.58 -1.72 0.00 0.00 179.24 178.62 3i16 h VAL 131 N 0.00 1.27 0.15 -1.35 2.07 -1.57 -3.23 116.25 113.60 3i16 h VAL 131 Ca -0.01 -1.15 -0.29 0.00 0.82 0.00 0.00 66.70 66.07 3i16 h VAL 131 Cb 1.21 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3i16 h VAL 131 CO 0.08 0.38 -1.32 0.40 0.02 0.00 0.00 177.57 177.14 3i16 h ILE 132 N 0.55 1.43 -0.07 4.57 2.04 -1.23 -0.91 117.51 123.88 3i16 h ILE 132 Ca 0.10 -2.97 0.00 0.00 1.00 0.00 0.00 64.86 62.99 3i16 h ILE 132 Cb 0.59 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 3i16 h ILE 132 CO 0.04 0.87 0.00 0.61 0.00 0.00 0.00 178.15 179.67 3i16 n GLY 133 N 1.58 0.98 0.44 5.37 0.00 0.19 -2.12 105.19 111.63 3i16 n GLY 133 Ca -0.11 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 3i16 n GLY 133 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i16 h ILE 134 N 0.00 0.09 0.00 -0.61 2.04 -1.70 -3.40 117.51 113.94 3i16 h ILE 134 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i16 h ILE 134 Cb 0.63 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3i16 h ILE 134 CO 0.00 0.00 -0.29 0.41 0.00 0.00 0.00 178.15 178.27 3i16 n THR 135 N -5.48 0.85 -3.28 -0.27 -1.04 -1.26 -5.04 114.28 98.76 3i16 n THR 135 Ca -0.08 0.27 -0.39 0.00 -2.04 0.00 0.00 64.05 61.81 3i16 n THR 135 Cb 0.40 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.17 3i16 n THR 135 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3i16 s GLU 136 N -1.89 4.21 -0.06 -2.82 8.01 -1.26 -5.06 118.70 119.82 3i16 s GLU 136 Ca -0.08 0.68 -0.02 0.00 0.01 0.00 0.00 54.97 55.55 3i16 s GLU 136 Cb 0.01 -3.28 0.03 0.00 -4.31 0.00 0.00 34.13 26.59 3i16 s GLU 136 CO 0.12 0.54 0.06 -0.80 0.01 0.00 0.00 175.26 175.19 3i16 s ASN 137 N -0.74 1.38 -0.14 -0.19 0.01 -1.26 -4.60 114.94 109.40 3i16 s ASN 137 Ca 0.29 -0.05 0.19 0.00 -0.71 0.00 0.00 52.86 52.57 3i16 s ASN 137 Cb -0.19 -0.18 0.44 0.00 0.41 0.00 0.00 41.25 41.74 3i16 s ASN 137 CO 0.17 -0.26 1.18 -1.54 -1.51 0.00 0.00 177.10 175.14 3i16 n SER 138 N 5.28 1.79 -2.51 -1.22 3.41 -1.26 -5.15 113.62 113.96 3i16 n SER 138 Ca -0.04 -2.81 -0.02 0.00 -0.26 0.00 0.00 58.87 55.74 3i16 n SER 138 Cb 0.50 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 3i16 n SER 138 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i16 n ASN 139 N -0.33 -4.72 -2.68 4.04 5.15 -1.26 -5.13 115.26 110.33 3i16 n ASN 139 Ca 0.15 1.22 -0.08 0.00 -0.60 0.00 0.00 54.58 55.27 3i16 n ASN 139 Cb 0.93 -4.74 0.08 0.00 -0.53 0.00 0.00 39.78 35.51 3i16 n ASN 139 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i16 n GLY 141 N 0.93 1.44 3.78 8.20 0.00 -1.26 -5.20 105.19 113.08 3i16 n GLY 141 Ca -0.14 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3i16 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i16 s SER 142 N -2.18 4.28 0.28 1.61 1.04 -1.26 -4.86 113.70 112.62 3i16 s SER 142 Ca 0.24 1.42 -0.01 0.00 0.48 0.00 0.00 55.95 58.08 3i16 s SER 142 Cb 0.43 -2.15 0.63 0.00 0.10 0.00 0.00 66.02 65.03 3i16 s SER 142 CO -0.03 -2.12 1.63 -0.07 0.98 0.00 0.00 173.24 173.64 3i16 h LEU 143 N -1.19 -0.19 -0.72 2.42 3.38 -1.20 -0.28 115.31 117.53 3i16 h LEU 143 Ca -0.47 0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3i16 h LEU 143 Cb 1.27 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 3i16 h LEU 143 CO 0.57 -0.19 0.46 0.50 0.09 0.00 0.00 178.44 179.87 3i16 h LYS 144 N 0.14 0.89 0.00 1.13 3.64 -1.34 0.00 116.57 121.04 3i16 h LYS 144 Ca 0.51 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3i16 h LYS 144 Cb 1.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3i16 h LYS 144 CO -0.70 0.59 0.00 0.93 -2.27 0.00 0.00 179.45 178.00 3i16 h GLU 145 N 0.92 0.00 -0.49 1.90 5.08 -1.37 -0.64 114.58 119.98 3i16 h GLU 145 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3i16 h GLU 145 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3i16 h GLU 145 CO -0.09 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.11 3i16 n PHE 146 N -2.54 1.61 -1.08 4.33 3.72 -0.14 -4.93 117.46 118.43 3i16 n PHE 146 Ca -0.00 -0.74 -0.03 0.00 -0.05 0.00 0.00 57.45 56.63 3i16 n PHE 146 Cb 0.16 -0.40 -0.01 0.00 -0.94 0.00 0.00 39.48 38.29 3i16 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i16 n GLY 147 N 0.38 0.61 3.58 1.37 0.00 -0.25 -4.03 105.19 106.86 3i16 n GLY 147 Ca 0.25 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3i16 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i16 s ILE 148 N -2.07 4.99 0.40 -0.61 1.01 -0.46 -0.97 121.20 123.49 3i16 s ILE 148 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 3i16 s ILE 148 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3i16 s ILE 148 CO 0.00 0.34 0.65 0.20 0.00 0.00 0.00 174.94 176.13 3i16 s ASN 149 N 1.28 6.29 -0.05 3.58 0.01 -0.40 -3.04 114.94 122.62 3i16 s ASN 149 Ca 0.06 0.67 0.03 0.00 -0.71 0.00 0.00 52.86 52.91 3i16 s ASN 149 Cb -0.14 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.39 3i16 s ASN 149 CO 0.05 -0.41 -0.13 -0.47 -1.51 0.00 0.00 177.10 174.64 3i16 s TYR 150 N -2.48 1.43 0.15 2.20 5.04 -1.26 -4.34 117.35 118.09 3i16 s TYR 150 Ca 0.43 -0.47 0.06 0.00 -2.44 0.00 0.00 57.07 54.65 3i16 s TYR 150 Cb -0.10 -1.02 -0.04 0.00 0.35 0.00 0.00 41.96 41.15 3i16 s TYR 150 CO 0.39 -0.21 -0.12 0.15 -1.34 0.00 0.00 175.55 174.42 3i16 s LYS 151 N 0.41 1.09 -0.00 4.97 1.02 -1.26 -5.03 119.74 120.94 3i16 s LYS 151 Ca -0.10 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.51 3i16 s LYS 151 Cb -0.13 -0.81 -0.00 0.00 -0.52 0.00 0.00 37.83 36.36 3i16 s LYS 151 CO 0.03 0.13 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.42 3i16 s GLN 152 N -3.32 0.19 -0.12 1.68 0.74 -1.26 -1.33 119.66 116.25 3i16 s GLN 152 Ca 0.15 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.49 3i16 s GLN 152 Cb -0.01 -0.19 0.02 0.00 1.10 0.00 0.00 33.01 33.93 3i16 s GLN 152 CO 0.03 0.05 -0.15 0.08 -0.55 0.00 0.00 175.29 174.74 3i16 s VAL 153 N -0.04 1.53 0.62 1.34 1.01 0.22 -4.95 120.40 120.13 3i16 s VAL 153 Ca 0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3i16 s VAL 153 Cb -0.01 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3i16 s VAL 153 CO -0.00 0.45 1.03 -1.81 0.00 0.00 0.00 175.10 174.77 3i16 s ASP 154 N 1.08 6.09 0.81 3.32 1.01 -1.26 -1.82 116.67 125.91 3i16 s ASP 154 Ca -0.04 1.51 -0.11 0.00 0.71 0.00 0.00 52.55 54.61 3i16 s ASP 154 Cb -0.14 -2.49 0.08 0.00 1.01 0.00 0.00 42.92 41.38 3i16 s ASP 154 CO -0.03 -0.96 1.09 -0.76 0.21 0.00 0.00 175.17 174.72 3i16 s LEU 155 N -5.03 2.61 0.80 1.23 1.43 -1.26 -4.35 118.68 114.10 3i16 s LEU 155 Ca 0.57 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 3i16 s LEU 155 Cb -0.12 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 42.13 3i16 s LEU 155 CO 0.49 -2.11 1.10 -0.54 0.23 0.00 0.00 176.35 175.53 3i16 s LYS 156 N -5.05 2.07 0.46 1.70 1.02 0.05 -4.87 119.74 115.13 3i16 s LYS 156 Ca 0.61 0.56 0.21 0.00 0.02 0.00 0.00 55.97 57.37 3i16 s LYS 156 Cb -0.16 -1.92 1.20 0.00 -0.52 0.00 0.00 37.83 36.43 3i16 s LYS 156 CO 0.55 -1.61 1.91 0.93 -0.92 0.00 0.00 175.35 176.21 3i16 h GLU 157 N -1.08 0.26 -0.00 1.68 3.07 -1.96 0.20 114.58 116.74 3i16 h GLU 157 Ca -0.47 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3i16 h GLU 157 Cb 1.28 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3i16 h GLU 157 CO 0.60 0.17 0.00 -0.40 -1.40 0.00 0.00 179.01 177.98 3i16 n ASP 158 N -4.43 0.05 0.00 1.42 5.68 -1.26 -4.89 116.55 113.12 3i16 n ASP 158 Ca 0.15 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 3i16 n ASP 158 Cb 0.66 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 3i16 n ASP 158 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i16 n GLY 159 N 0.87 1.25 3.89 6.12 0.00 0.70 -5.00 105.19 113.02 3i16 n GLY 159 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3i16 n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i16 s LYS 160 N -0.41 3.66 0.36 1.61 -0.14 -1.26 -4.70 119.74 118.87 3i16 s LYS 160 Ca 0.00 0.29 -0.28 0.00 -1.36 0.00 0.00 55.97 54.62 3i16 s LYS 160 Cb 0.00 -2.42 -0.11 0.00 -1.68 0.00 0.00 37.83 33.62 3i16 s LYS 160 CO 0.00 -0.07 1.46 -2.14 -0.76 0.00 0.00 175.35 173.84 3i16 s PRO 161 N -4.16 4.16 -1.12 -1.68 0.02 -1.26 -0.77 135.00 130.18 3i16 s PRO 161 Ca 0.49 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.89 3i16 s PRO 161 Cb -0.10 -2.99 0.21 0.00 0.02 0.00 0.00 34.50 31.64 3i16 s PRO 161 CO 0.36 -0.47 1.25 1.21 -0.33 0.00 0.00 177.00 179.02 3i16 s ASN 162 N -0.19 7.11 0.22 2.53 3.84 -1.26 -4.77 114.94 122.42 3i16 s ASN 162 Ca 0.52 -3.11 -0.09 0.00 0.21 0.00 0.00 52.86 50.40 3i16 s ASN 162 Cb -0.45 -2.32 0.18 0.00 -0.55 0.00 0.00 41.25 38.11 3i16 s ASN 162 CO 0.61 -0.60 1.86 -0.07 -2.79 0.00 0.00 177.10 176.11 3i16 h LEU 163 N 8.55 1.01 -0.79 3.21 3.38 -1.95 -1.03 115.31 127.67 3i16 h LEU 163 Ca 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3i16 h LEU 163 Cb 0.90 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3i16 h LEU 163 CO 1.12 0.79 0.41 -0.33 0.09 0.00 0.00 178.44 180.51 3i16 h GLU 164 N 1.14 1.12 -0.37 1.13 5.08 -2.00 -0.83 114.58 119.85 3i16 h GLU 164 Ca 0.30 -0.14 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 3i16 h GLU 164 Cb -0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3i16 h GLU 164 CO -0.05 0.84 -0.38 1.49 -1.00 0.00 0.00 179.01 179.91 3i16 h GLU 165 N 1.10 0.90 0.01 2.33 4.57 -1.86 -2.14 114.58 119.49 3i16 h GLU 165 Ca 0.28 -0.48 0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3i16 h GLU 165 Cb 0.07 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3i16 h GLU 165 CO -0.04 1.13 -0.22 0.82 -1.18 0.00 0.00 179.01 179.53 3i16 h ILE 166 N 0.71 0.49 -0.41 2.32 2.04 -0.75 0.12 117.51 122.04 3i16 h ILE 166 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 3i16 h ILE 166 Cb 0.97 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3i16 h ILE 166 CO 0.09 0.00 -0.10 -0.33 0.00 0.00 0.00 178.15 177.81 3i16 h GLU 167 N -0.35 -0.00 -0.79 2.37 5.08 -1.14 -0.56 114.58 119.19 3i16 h GLU 167 Ca 0.06 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3i16 h GLU 167 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3i16 h GLU 167 CO -0.19 -0.00 0.51 -0.22 -1.00 0.00 0.00 179.01 178.11 3i16 h LYS 168 N -0.00 0.97 -0.30 2.33 3.64 -0.90 0.11 116.57 122.43 3i16 h LYS 168 Ca 0.20 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3i16 h LYS 168 Cb 0.30 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3i16 h LYS 168 CO -0.42 0.64 -0.11 0.28 -2.27 0.00 0.00 179.45 177.58 3i16 h VAL 169 N 1.00 1.29 -0.43 2.00 2.07 -0.44 -1.97 116.25 119.77 3i16 h VAL 169 Ca 0.31 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3i16 h VAL 169 Cb -0.02 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3i16 h VAL 169 CO -0.10 0.38 0.17 -0.07 0.02 0.00 0.00 177.57 177.96 3i16 h LEU 170 N 0.36 0.60 -1.10 2.57 3.38 -0.92 -2.06 115.31 118.14 3i16 h LEU 170 Ca 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3i16 h LEU 170 Cb 0.61 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3i16 h LEU 170 CO 0.04 0.61 0.21 0.11 0.09 0.00 0.00 178.44 179.49 3i16 h LYS 171 N 0.55 0.85 -0.00 1.13 1.57 -0.77 -2.85 116.57 117.04 3i16 h LYS 171 Ca 0.14 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i16 h LYS 171 Cb 0.20 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3i16 h LYS 171 CO -0.01 0.71 -0.08 0.39 -0.57 0.00 0.00 179.45 179.89 3i16 n GLU 172 N -4.31 0.52 -3.44 3.15 1.02 -0.75 -4.54 120.64 112.30 3i16 n GLU 172 Ca 0.05 -0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 56.84 3i16 n GLU 172 Cb 0.18 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 3i16 n GLU 172 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i16 s ASP 173 N -2.56 2.32 0.00 1.62 -1.08 -0.79 -4.98 116.67 111.20 3i16 s ASP 173 Ca 0.27 -1.51 0.18 0.00 -0.52 0.00 0.00 52.55 50.97 3i16 s ASP 173 Cb 0.20 0.07 0.82 0.00 -1.46 0.00 0.00 42.92 42.55 3i16 s ASP 173 CO 0.48 -0.34 1.56 -0.62 0.52 0.00 0.00 175.17 176.77 3i16 n GLU 174 N 4.64 0.10 0.02 4.34 1.02 -1.26 -2.68 120.64 126.82 3i16 n GLU 174 Ca 0.05 0.17 0.14 0.00 -0.02 0.00 0.00 57.16 57.49 3i16 n GLU 174 Cb 0.42 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 30.91 3i16 n GLU 174 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3i16 n SER 175 N -1.42 0.16 -4.63 1.62 3.41 -1.26 -4.78 113.62 106.73 3i16 n SER 175 Ca 0.06 0.48 -0.43 0.00 -0.26 0.00 0.00 58.87 58.72 3i16 n SER 175 Cb 0.18 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 3i16 n SER 175 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i16 s ILE 176 N -3.02 3.79 -0.45 -1.33 1.01 -1.09 -1.37 121.20 118.74 3i16 s ILE 176 Ca 0.13 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.72 3i16 s ILE 176 Cb 0.18 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3i16 s ILE 176 CO 0.55 -0.36 0.42 0.35 0.00 0.00 0.00 174.94 175.90 3i16 n THR 177 N 6.44 0.00 -3.77 2.92 -2.24 -0.65 -4.89 114.28 112.08 3i16 n THR 177 Ca 0.18 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 3i16 n THR 177 Cb 0.46 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 3i16 n THR 177 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i16 s LEU 178 N -1.46 0.91 -0.15 3.22 0.20 -1.24 -1.28 118.68 118.88 3i16 s LEU 178 Ca 0.04 0.43 -0.01 0.00 0.69 0.00 0.00 54.13 55.28 3i16 s LEU 178 Cb 0.04 0.66 -0.01 0.00 -0.43 0.00 0.00 46.19 46.45 3i16 s LEU 178 CO 0.15 -0.11 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.28 3i16 s VAL 179 N 0.60 2.97 -0.22 1.68 1.01 0.59 -1.38 120.40 125.65 3i16 s VAL 179 Ca -0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3i16 s VAL 179 Cb -0.05 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3i16 s VAL 179 CO -0.03 0.51 0.10 -2.28 0.00 0.00 0.00 175.10 173.40 3i16 s HIS 180 N 0.68 3.24 -0.16 5.22 2.46 -0.07 -0.71 115.29 125.95 3i16 s HIS 180 Ca -0.06 0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.51 3i16 s HIS 180 Cb -0.15 -2.19 0.02 0.00 -0.13 0.00 0.00 32.58 30.13 3i16 s HIS 180 CO 0.02 0.02 -0.17 0.42 -2.47 0.00 0.00 174.74 172.55 3i16 s ILE 181 N 0.89 1.81 -0.27 0.89 1.01 0.01 -1.86 121.20 123.68 3i16 s ILE 181 Ca 0.05 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 3i16 s ILE 181 Cb -0.13 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3i16 s ILE 181 CO 0.03 0.50 0.34 -1.58 0.00 0.00 0.00 174.94 174.23 3i16 s GLN 182 N 1.29 4.01 -0.05 2.79 0.74 -1.26 -1.43 119.66 125.75 3i16 s GLN 182 Ca 0.02 -0.02 -0.22 0.00 0.05 0.00 0.00 55.36 55.19 3i16 s GLN 182 Cb -0.13 -3.65 -0.17 0.00 1.10 0.00 0.00 33.01 30.16 3i16 s GLN 182 CO -0.10 -0.25 0.96 -0.09 -0.55 0.00 0.00 175.29 175.27 3i16 h ARG 183 N 8.16 -0.18 -7.22 1.67 2.43 -1.75 -3.43 114.38 114.06 3i16 h ARG 183 Ca -0.32 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.38 3i16 h ARG 183 Cb 1.17 0.04 0.03 0.00 -0.42 0.00 0.00 29.97 30.79 3i16 h ARG 183 CO 0.63 0.27 0.38 0.45 -1.51 0.00 0.00 179.97 180.19 3i16 s SER 184 N -5.51 6.35 0.40 -3.80 0.15 -1.26 -0.84 113.70 109.20 3i16 s SER 184 Ca -0.14 1.60 0.24 0.00 0.70 0.00 0.00 55.95 58.35 3i16 s SER 184 Cb 0.01 -2.51 0.43 0.00 -1.71 0.00 0.00 66.02 62.23 3i16 s SER 184 CO 0.52 -0.77 1.64 0.71 1.20 0.00 0.00 173.24 176.54 3i16 h THR 185 N 0.60 0.00 0.00 6.45 1.35 -1.87 -3.47 112.91 115.97 3i16 h THR 185 Ca -0.46 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3i16 h THR 185 Cb 1.19 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3i16 h THR 185 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3i16 n GLY 186 N 1.14 1.08 2.76 5.82 0.00 -1.26 -3.63 105.19 111.10 3i16 n GLY 186 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3i16 n GLY 186 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i16 n TYR 187 N 5.94 2.94 -2.44 1.61 4.01 -1.26 -4.88 117.16 123.08 3i16 n TYR 187 Ca 0.00 -2.83 0.00 0.00 -0.16 0.00 0.00 57.90 54.91 3i16 n TYR 187 Cb 0.00 -2.05 0.00 0.00 -0.31 0.00 0.00 39.34 36.98 3i16 n TYR 187 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i16 n GLY 188 N 2.86 6.08 2.61 2.72 0.00 -1.24 -5.10 105.19 113.12 3i16 n GLY 188 Ca 0.47 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3i16 n GLY 188 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3i16 n TRP 189 N 0.00 -2.70 -3.64 1.61 -0.00 -1.26 -5.07 117.44 106.37 3i16 n TRP 189 Ca 0.00 -2.13 -0.06 0.00 -0.00 0.00 0.00 57.50 55.31 3i16 n TRP 189 Cb 0.00 1.03 -0.02 0.00 -0.00 0.00 0.00 31.31 32.33 3i16 n TRP 189 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 3i16 s ARG 190 N 0.41 1.11 0.40 5.87 1.70 -1.26 -5.09 118.95 122.09 3i16 s ARG 190 Ca 0.32 -0.54 -0.21 0.00 -0.47 0.00 0.00 55.73 54.83 3i16 s ARG 190 Cb 0.09 0.43 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 3i16 s ARG 190 CO -0.14 -0.50 0.93 1.03 -1.08 0.00 0.00 175.30 175.54 3i16 s ARG 191 N -3.31 4.27 0.61 3.89 0.52 -1.26 -4.82 118.95 118.84 3i16 s ARG 191 Ca 0.09 1.12 -0.18 0.00 -0.52 0.00 0.00 55.73 56.23 3i16 s ARG 191 Cb -0.02 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3i16 s ARG 191 CO -0.03 0.04 1.16 0.00 0.02 0.00 0.00 175.30 176.49 3i16 s ALA 192 N -2.07 2.53 0.08 2.13 0.00 -1.26 -4.80 121.76 118.36 3i16 s ALA 192 Ca 0.59 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 53.08 3i16 s ALA 192 Cb -0.11 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3i16 s ALA 192 CO 0.15 -1.14 1.30 -0.51 0.00 0.00 0.00 175.76 175.56 3i16 s LEU 193 N -4.27 4.37 0.71 0.00 1.43 -0.02 -4.60 118.68 116.30 3i16 s LEU 193 Ca 0.73 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 3i16 s LEU 193 Cb -0.26 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.40 3i16 s LEU 193 CO 0.34 -0.57 1.08 -0.76 0.23 0.00 0.00 176.35 176.67 3i16 s LEU 194 N 1.17 2.93 0.35 1.79 1.43 -1.26 -4.72 118.68 120.37 3i16 s LEU 194 Ca 0.62 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 55.11 3i16 s LEU 194 Cb -0.33 -4.15 0.71 0.00 0.03 0.00 0.00 46.19 42.45 3i16 s LEU 194 CO 0.29 -1.45 1.93 0.40 0.23 0.00 0.00 176.35 177.75 3i16 h ILE 195 N -0.73 0.99 -0.33 -0.59 1.08 -1.95 -1.13 117.51 114.85 3i16 h ILE 195 Ca -0.45 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.67 3i16 h ILE 195 Cb 1.24 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3i16 h ILE 195 CO 0.61 0.15 -0.11 1.05 -0.69 0.00 0.00 178.15 179.15 3i16 h GLU 196 N 0.80 0.57 -0.39 2.37 4.11 -1.99 -0.18 114.58 119.86 3i16 h GLU 196 Ca 0.36 -0.17 -0.14 0.00 0.07 0.00 0.00 59.36 59.48 3i16 h GLU 196 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3i16 h GLU 196 CO -0.13 0.67 -0.31 -0.44 0.07 0.00 0.00 179.01 178.87 3i16 h ASP 197 N 0.52 0.90 -0.45 3.06 3.32 -1.62 -1.50 116.42 120.66 3i16 h ASP 197 Ca 0.10 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 3i16 h ASP 197 Cb 0.51 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3i16 h ASP 197 CO 0.03 1.14 0.07 0.40 -1.72 0.00 0.00 179.24 179.16 3i16 h ILE 198 N 0.73 1.25 -0.54 0.35 2.04 -0.91 -2.36 117.51 118.07 3i16 h ILE 198 Ca 0.08 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.07 3i16 h ILE 198 Cb 0.87 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3i16 h ILE 198 CO 0.08 0.32 0.32 0.50 0.00 0.00 0.00 178.15 179.36 3i16 h LYS 199 N 0.62 0.61 -0.60 2.37 3.64 -0.91 -1.13 116.57 121.17 3i16 h LYS 199 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3i16 h LYS 199 Cb 0.38 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3i16 h LYS 199 CO 0.01 0.40 0.31 0.66 -2.27 0.00 0.00 179.45 178.57 3i16 h SER 200 N 0.63 0.74 -0.09 4.20 4.64 -1.00 -0.19 113.55 122.48 3i16 h SER 200 Ca 0.22 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 3i16 h SER 200 Cb 0.04 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3i16 h SER 200 CO -0.10 0.61 -0.03 0.40 -0.87 0.00 0.00 176.83 176.83 3i16 h ILE 201 N 0.83 1.31 0.04 0.95 2.04 -0.92 -2.20 117.51 119.56 3i16 h ILE 201 Ca 0.21 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3i16 h ILE 201 Cb 0.04 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3i16 h ILE 201 CO -0.03 0.28 -0.11 0.58 0.00 0.00 0.00 178.15 178.87 3i16 h VAL 202 N -0.18 0.73 -0.97 1.67 2.07 -0.82 -0.07 116.25 118.68 3i16 h VAL 202 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 3i16 h VAL 202 Cb 0.46 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3i16 h VAL 202 CO 0.01 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.65 3i16 h ASP 203 N -0.21 0.92 -0.12 0.57 3.32 -1.08 -0.77 116.42 119.04 3i16 h ASP 203 Ca 0.03 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3i16 h ASP 203 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3i16 h ASP 203 CO -0.08 0.53 0.03 0.00 -1.72 0.00 0.00 179.24 178.00 3i16 h VAL 205 N 0.01 1.00 0.00 0.00 2.07 -0.49 -2.94 116.25 115.91 3i16 h VAL 205 Ca 0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3i16 h VAL 205 Cb 0.23 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3i16 h VAL 205 CO -0.00 0.07 -0.09 0.11 0.02 0.00 0.00 177.57 177.68 3i16 h LYS 206 N -0.23 0.00 0.00 1.57 1.79 -1.21 -1.13 116.57 117.36 3i16 h LYS 206 Ca -0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3i16 h LYS 206 Cb 0.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3i16 h LYS 206 CO 0.02 0.09 -0.14 -0.97 -1.08 0.00 0.00 179.45 177.37 3i16 h ASN 207 N 0.00 0.00 0.00 0.86 -1.24 -1.20 -2.90 115.58 111.10 3i16 h ASN 207 Ca -0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.93 3i16 h ASN 207 Cb 0.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3i16 h ASN 207 CO 0.01 0.14 -0.54 0.40 -1.29 0.00 0.00 177.43 176.15 3i16 h ILE 208 N 0.00 0.70 -2.88 2.57 1.08 -1.18 -3.47 117.51 114.33 3i16 h ILE 208 Ca -0.00 -1.68 -0.29 0.00 -0.39 0.00 0.00 64.86 62.50 3i16 h ILE 208 Cb 0.53 1.48 -0.35 0.00 -3.07 0.00 0.00 36.82 35.40 3i16 h ILE 208 CO 0.02 0.24 -0.61 -0.13 -0.69 0.00 0.00 178.15 176.97 3i16 s ARG 209 N -2.14 0.10 0.56 2.37 0.52 -0.74 -5.04 118.95 114.58 3i16 s ARG 209 Ca -0.17 0.50 0.25 0.00 -0.52 0.00 0.00 55.73 55.78 3i16 s ARG 209 Cb 0.02 -0.51 1.59 0.00 0.52 0.00 0.00 34.95 36.57 3i16 s ARG 209 CO 0.40 -0.40 2.20 1.57 0.02 0.00 0.00 175.30 179.09 3i16 h LYS 210 N 8.33 0.00 -0.00 3.54 5.09 -1.77 -2.70 116.57 129.07 3i16 h LYS 210 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.60 3i16 h LYS 210 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 3i16 h LYS 210 CO 0.18 0.02 -0.01 -0.40 -2.09 0.00 0.00 179.45 177.15 3i16 n ASP 211 N -4.06 0.05 -4.69 7.07 5.68 -1.26 -4.84 116.55 114.49 3i16 n ASP 211 Ca -0.03 -0.26 -0.42 0.00 -0.50 0.00 0.00 54.79 53.58 3i16 n ASP 211 Cb 0.10 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 39.82 3i16 n ASP 211 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3i16 s ILE 212 N -2.51 3.45 -0.06 2.12 1.01 -1.02 -4.95 121.20 119.24 3i16 s ILE 212 Ca 0.30 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 3i16 s ILE 212 Cb 0.20 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3i16 s ILE 212 CO 0.46 0.01 1.27 -0.63 0.00 0.00 0.00 174.94 176.04 3i16 s ILE 213 N 2.29 4.12 -0.47 2.92 -1.09 -0.40 -4.89 121.20 123.68 3i16 s ILE 213 Ca 0.67 1.44 -0.17 0.00 -2.23 0.00 0.00 60.65 60.37 3i16 s ILE 213 Cb -0.35 -3.93 0.05 0.00 -1.58 0.00 0.00 42.46 36.66 3i16 s ILE 213 CO 0.29 -0.02 0.46 0.00 -1.23 0.00 0.00 174.94 174.43 3i16 s PHE 215 N 2.02 3.12 -0.13 0.00 5.36 0.12 -0.72 117.98 127.75 3i16 s PHE 215 Ca 0.09 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 3i16 s PHE 215 Cb -0.21 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 3i16 s PHE 215 CO 0.10 -0.09 -0.17 0.08 -1.46 0.00 0.00 175.22 173.67 3i16 s VAL 216 N 0.83 2.62 -0.58 3.12 1.01 -0.09 -0.81 120.40 126.49 3i16 s VAL 216 Ca 0.02 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 3i16 s VAL 216 Cb -0.14 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3i16 s VAL 216 CO 0.02 0.53 1.18 -0.62 0.00 0.00 0.00 175.10 176.22 3i16 s ASP 217 N 0.50 6.44 0.00 3.32 -1.08 -0.52 -1.89 116.67 123.44 3i16 s ASP 217 Ca -0.11 0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.25 3i16 s ASP 217 Cb -0.16 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.30 3i16 s ASP 217 CO 0.05 -1.48 1.46 -3.20 0.52 0.00 0.00 175.17 172.52 3i16 n ASN 218 N 8.42 2.35 -4.56 -0.34 5.15 -0.27 -1.98 115.26 124.03 3i16 n ASN 218 Ca 0.08 -1.78 -0.55 0.00 -0.60 0.00 0.00 54.58 51.74 3i16 n ASN 218 Cb 0.49 0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.68 3i16 n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i16 n TYR 220 N 2.22 0.00 1.01 0.00 4.01 -1.26 -4.35 117.16 118.80 3i16 n TYR 220 Ca 0.19 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.04 3i16 n TYR 220 Cb 0.15 -0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 3i16 n TYR 220 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i16 n GLY 221 N -2.00 -0.27 3.73 2.72 0.00 -0.58 -2.82 105.19 105.96 3i16 n GLY 221 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3i16 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i16 s GLU 222 N -2.62 4.18 -0.32 1.61 8.01 -1.25 -4.55 118.70 123.76 3i16 s GLU 222 Ca 0.16 2.46 -0.12 0.00 0.01 0.00 0.00 54.97 57.48 3i16 s GLU 222 Cb 0.18 -3.11 0.01 0.00 -4.31 0.00 0.00 34.13 26.90 3i16 s GLU 222 CO 0.64 -0.63 0.44 1.19 0.01 0.00 0.00 175.26 176.92 3i16 n PHE 223 N 3.53 -2.63 -0.45 1.61 3.72 -1.26 -4.87 117.46 117.11 3i16 n PHE 223 Ca 0.13 1.06 -0.14 0.00 -0.05 0.00 0.00 57.45 58.45 3i16 n PHE 223 Cb 0.38 -3.45 0.01 0.00 -0.94 0.00 0.00 39.48 35.48 3i16 n PHE 223 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3i16 n ASP 225 N -0.34 -1.31 0.17 4.37 2.03 -1.26 -4.88 116.55 115.33 3i16 n ASP 225 Ca 0.09 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.53 3i16 n ASP 225 Cb 0.34 -0.24 0.34 0.00 -0.72 0.00 0.00 41.12 40.84 3i16 n ASP 225 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3i16 h THR 226 N -0.59 0.00 -2.55 5.18 1.35 -1.99 -3.45 112.91 110.85 3i16 h THR 226 Ca -0.14 -0.68 -0.56 0.00 -0.55 0.00 0.00 66.41 64.47 3i16 h THR 226 Cb 0.50 1.66 -0.08 0.00 -1.73 0.00 0.00 68.15 68.50 3i16 h THR 226 CO 0.08 0.00 -0.60 -0.54 -0.25 0.00 0.00 175.52 174.20 3i16 s LYS 227 N -3.22 2.63 0.42 4.72 1.02 -1.26 -4.97 119.74 119.08 3i16 s LYS 227 Ca 0.08 -1.09 0.06 0.00 0.02 0.00 0.00 55.97 55.04 3i16 s LYS 227 Cb 0.09 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 3i16 s LYS 227 CO 0.61 0.43 0.03 -1.21 -0.92 0.00 0.00 175.35 174.29 3i16 s GLU 228 N -3.32 2.02 0.56 1.68 0.41 -1.26 -4.89 118.70 113.90 3i16 s GLU 228 Ca 0.30 -2.11 0.27 0.00 -0.41 0.00 0.00 54.97 53.03 3i16 s GLU 228 Cb -0.09 -1.67 1.65 0.00 -1.78 0.00 0.00 34.13 32.24 3i16 s GLU 228 CO 0.21 -0.10 2.19 -1.35 -0.49 0.00 0.00 175.26 175.73 3i16 h PRO 229 N 1.67 0.00 0.00 0.39 0.11 -1.95 -0.35 132.00 131.88 3i16 h PRO 229 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i16 h PRO 229 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i16 h PRO 229 CO 0.79 0.04 0.00 1.79 -0.21 0.00 0.00 178.00 180.41 3i16 h THR 230 N 0.00 0.00 0.00 -1.15 1.35 -1.83 -1.74 112.91 109.54 3i16 h THR 230 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3i16 h THR 230 Cb 0.11 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3i16 h THR 230 CO 0.01 0.00 -0.28 0.47 -0.25 0.00 0.00 175.52 175.46 3i16 n ASP 231 N -2.58 0.32 -0.56 5.36 8.00 -0.14 -3.89 116.55 123.06 3i16 n ASP 231 Ca 0.02 0.12 0.06 0.00 0.71 0.00 0.00 54.79 55.70 3i16 n ASP 231 Cb 0.27 -0.11 0.19 0.00 -0.02 0.00 0.00 41.12 41.45 3i16 n ASP 231 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3i16 n VAL 232 N -1.58 2.06 0.00 2.53 0.24 -0.72 -4.98 118.33 115.88 3i16 n VAL 232 Ca 0.06 -2.99 0.00 0.00 -2.04 0.00 0.00 64.34 59.37 3i16 n VAL 232 Cb 0.35 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 3i16 n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i16 n GLY 233 N -1.09 0.74 3.75 7.63 0.00 -1.18 -4.53 105.19 110.50 3i16 n GLY 233 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3i16 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i16 s ALA 234 N -2.00 3.59 -0.14 4.61 0.00 -0.82 -4.84 121.76 122.16 3i16 s ALA 234 Ca 0.00 1.26 0.15 0.00 0.00 0.00 0.00 51.96 53.37 3i16 s ALA 234 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3i16 s ALA 234 CO 0.00 -0.67 1.30 -0.44 0.00 0.00 0.00 175.76 175.94 3i16 h ASP 235 N 4.94 0.00 -4.02 0.00 3.32 -1.27 -3.42 116.42 115.97 3i16 h ASP 235 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3i16 h ASP 235 Cb 1.22 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3i16 h ASP 235 CO 0.76 0.53 0.19 -0.22 -1.72 0.00 0.00 179.24 178.78 3i16 s LEU 236 N -6.31 -0.70 0.09 1.55 2.96 -1.12 -1.38 118.68 113.78 3i16 s LEU 236 Ca 0.02 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 3i16 s LEU 236 Cb 0.08 2.39 -0.04 0.00 0.50 0.00 0.00 46.19 49.12 3i16 s LEU 236 CO 0.76 -0.28 -0.07 0.27 -1.32 0.00 0.00 176.35 175.71 3i16 s ILE 237 N 0.15 0.69 0.03 6.68 -4.36 -0.36 -0.91 121.20 123.12 3i16 s ILE 237 Ca -0.01 -1.82 -0.07 0.00 -0.26 0.00 0.00 60.65 58.49 3i16 s ILE 237 Cb -0.04 -1.54 -0.00 0.00 1.25 0.00 0.00 42.46 42.12 3i16 s ILE 237 CO 0.01 -0.80 0.13 0.00 0.24 0.00 0.00 174.94 174.53 3i16 s ALA 238 N -3.29 -0.20 0.25 2.27 0.00 -0.79 -1.92 121.76 118.08 3i16 s ALA 238 Ca 0.09 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 3i16 s ALA 238 Cb 0.03 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.45 3i16 s ALA 238 CO -0.04 -0.32 0.91 0.20 0.00 0.00 0.00 175.76 176.52 3i16 s GLY 239 N -2.01 0.10 -0.15 0.00 0.00 -0.46 -1.11 107.32 103.69 3i16 s GLY 239 Ca -0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 3i16 s GLY 239 CO -0.04 0.82 0.13 -0.45 0.00 0.00 0.00 173.10 173.57 3i16 s SER 240 N -3.16 6.31 0.00 1.64 0.15 -1.26 -1.23 113.70 116.16 3i16 s SER 240 Ca 0.17 0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.47 3i16 s SER 240 Cb -0.03 -2.07 1.51 0.00 -1.71 0.00 0.00 66.02 63.71 3i16 s SER 240 CO 0.07 0.32 1.99 0.18 1.20 0.00 0.00 173.24 177.00 3i16 n LEU 241 N 2.56 0.00 -1.44 3.45 4.77 -0.40 -2.62 117.00 123.31 3i16 n LEU 241 Ca -0.18 0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3i16 n LEU 241 Cb 0.54 -0.19 0.34 0.00 -2.33 0.00 0.00 43.42 41.78 3i16 n LEU 241 CO 0.33 -0.02 0.79 2.30 -1.33 0.00 0.00 177.39 179.47 3i16 n ILE 242 N -1.19 1.37 -1.48 -0.08 -5.35 -1.26 -3.28 119.36 108.09 3i16 n ILE 242 Ca 0.16 -1.09 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 3i16 n ILE 242 Cb 0.18 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 3i16 n ILE 242 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3i16 n LYS 243 N 1.40 3.97 -0.27 6.28 5.02 -1.08 -2.53 118.16 130.97 3i16 n LYS 243 Ca 0.25 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.47 3i16 n LYS 243 Cb 0.74 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.72 3i16 n LYS 243 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3i16 h ASN 244 N 0.00 -1.53 0.60 4.39 4.21 -1.90 -3.02 115.58 118.33 3i16 h ASN 244 Ca 0.00 0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.78 3i16 h ASN 244 Cb 0.00 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 3i16 h ASN 244 CO 0.00 -0.31 0.00 -0.29 -1.29 0.00 0.00 177.43 175.54 3i16 h ILE 245 N -0.15 0.00 -0.00 2.81 2.10 -1.87 -0.75 117.51 119.65 3i16 h ILE 245 Ca 0.22 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3i16 h ILE 245 Cb 0.55 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 3i16 h ILE 245 CO -0.78 0.00 -0.04 0.61 -1.08 0.00 0.00 178.15 176.86 3i16 n GLY 246 N -0.30 -1.38 2.42 8.18 0.00 -1.14 -3.45 105.19 109.52 3i16 n GLY 246 Ca 0.01 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 3i16 n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 247 N 1.42 0.10 2.95 -0.02 0.00 -0.29 -1.34 105.19 108.01 3i16 n GLY 247 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i16 n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 248 N -0.81 0.76 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.06 3i16 n GLY 248 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3i16 n GLY 248 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i16 n ILE 249 N -2.18 0.00 -1.69 -0.61 -5.35 -0.45 -4.90 119.36 104.19 3i16 n ILE 249 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 3i16 n ILE 249 Cb 0.02 0.15 -0.04 0.00 -1.74 0.00 0.00 39.64 38.03 3i16 n ILE 249 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i16 n ALA 250 N -1.27 1.95 0.30 -1.28 0.00 -0.81 -4.88 120.51 114.52 3i16 n ALA 250 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.97 3i16 n ALA 250 Cb 0.08 -2.44 0.20 0.00 0.00 0.00 0.00 19.45 17.29 3i16 n ALA 250 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i16 h PRO 251 N 6.59 0.00 0.00 0.00 0.13 -1.90 -3.43 132.00 133.38 3i16 h PRO 251 Ca -0.44 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 3i16 h PRO 251 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 3i16 h PRO 251 CO 0.92 0.00 0.54 -2.37 -0.23 0.00 0.00 178.00 176.86 3i16 n THR 252 N -2.90 0.00 0.00 1.56 5.66 -1.26 -4.86 114.28 112.48 3i16 n THR 252 Ca 0.04 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3i16 n THR 252 Cb 0.51 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 3i16 n THR 252 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i16 n GLY 253 N -0.57 -2.04 3.49 1.09 0.00 -1.13 -4.68 105.19 101.36 3i16 n GLY 253 Ca 0.02 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 3i16 n GLY 253 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i16 s GLY 254 N 0.00 0.59 0.07 -0.02 0.00 -0.71 -1.28 107.32 105.96 3i16 s GLY 254 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.80 3i16 s GLY 254 CO 0.00 -0.73 -0.05 -2.52 0.00 0.00 0.00 173.10 169.80 3i16 s TYR 255 N -4.02 0.67 0.03 1.90 1.13 -0.36 -1.81 117.35 114.90 3i16 s TYR 255 Ca 0.22 -0.88 0.01 0.00 -1.41 0.00 0.00 57.07 55.02 3i16 s TYR 255 Cb 0.01 -0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 40.42 3i16 s TYR 255 CO 0.07 -0.22 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.33 3i16 s LEU 256 N -2.65 2.27 -0.02 -3.49 1.02 -0.29 -1.35 118.68 114.18 3i16 s LEU 256 Ca 0.05 -0.57 -0.02 0.00 0.02 0.00 0.00 54.13 53.60 3i16 s LEU 256 Cb 0.03 0.02 0.00 0.00 0.02 0.00 0.00 46.19 46.26 3i16 s LEU 256 CO -0.06 -0.30 0.06 0.00 0.02 0.00 0.00 176.35 176.07 3i16 s ALA 257 N -1.70 -0.14 0.00 4.21 0.00 -0.81 -0.67 121.76 122.66 3i16 s ALA 257 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3i16 s ALA 257 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3i16 s ALA 257 CO -0.01 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3i16 n GLY 258 N 2.83 -0.51 3.75 0.00 0.00 -0.21 -1.22 105.19 109.84 3i16 n GLY 258 Ca -0.14 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 3i16 n GLY 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i16 s THR 259 N -3.21 2.53 0.23 2.61 -4.23 -0.48 -0.95 115.64 112.14 3i16 s THR 259 Ca 0.00 0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.80 3i16 s THR 259 Cb 0.00 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.89 3i16 s THR 259 CO 0.00 -0.05 1.83 0.50 -0.54 0.00 0.00 174.62 176.36 3i16 h LYS 260 N 1.08 0.83 -0.29 3.99 3.64 -1.90 -0.49 116.57 123.42 3i16 h LYS 260 Ca -0.50 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 3i16 h LYS 260 Cb 1.30 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3i16 h LYS 260 CO 0.56 0.55 0.13 0.22 -2.27 0.00 0.00 179.45 178.64 3i16 h ASP 261 N 0.85 0.38 -0.29 4.20 3.58 -1.98 0.92 116.42 124.07 3i16 h ASP 261 Ca 0.36 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 3i16 h ASP 261 Cb 0.23 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3i16 h ASP 261 CO -0.20 0.40 -0.02 0.00 -2.88 0.00 0.00 179.24 176.54 3i16 h ILE 263 N 0.61 1.37 -0.26 0.00 1.08 -0.92 -1.95 117.51 117.43 3i16 h ILE 263 Ca 0.12 -1.75 0.01 0.00 -0.39 0.00 0.00 64.86 62.85 3i16 h ILE 263 Cb 0.42 2.14 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 3i16 h ILE 263 CO 0.02 0.53 0.15 -0.33 -0.69 0.00 0.00 178.15 177.82 3i16 h GLU 264 N 0.10 0.30 -0.98 2.37 5.08 -0.73 -0.82 114.58 119.91 3i16 h GLU 264 Ca -0.02 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3i16 h GLU 264 Cb 1.07 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3i16 h GLU 264 CO 0.09 0.20 0.64 0.87 -1.00 0.00 0.00 179.01 179.81 3i16 h LYS 265 N 0.31 1.24 -0.53 2.33 1.57 -1.30 -1.70 116.57 118.48 3i16 h LYS 265 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3i16 h LYS 265 Cb 0.00 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 3i16 h LYS 265 CO -0.05 0.82 0.23 1.15 -0.57 0.00 0.00 179.45 181.03 3i16 h THR 266 N 1.27 1.21 -0.74 -0.16 2.02 -1.01 -3.07 112.91 112.43 3i16 h THR 266 Ca 0.37 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 67.01 3i16 h THR 266 Cb -0.07 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 3i16 h THR 266 CO -0.10 0.24 0.48 0.77 0.37 0.00 0.00 175.52 177.28 3i16 h SER 267 N 0.72 0.63 1.06 4.18 4.64 -0.25 -0.81 113.55 123.71 3i16 h SER 267 Ca 0.18 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3i16 h SER 267 Cb 0.16 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3i16 h SER 267 CO -0.02 0.39 0.00 1.88 -0.87 0.00 0.00 176.83 178.21 3i16 h TYR 268 N 0.71 0.00 0.20 4.77 0.05 -1.33 -1.24 116.97 120.12 3i16 h TYR 268 Ca 0.33 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.77 3i16 h TYR 268 Cb 0.36 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.12 3i16 h TYR 268 CO -0.00 0.00 -1.63 -0.09 -1.05 0.00 0.00 178.16 175.39 3i16 h ARG 269 N 0.00 0.42 -0.94 4.88 9.65 -1.23 -2.98 114.38 124.18 3i16 h ARG 269 Ca 0.00 -0.71 0.04 0.00 -1.10 0.00 0.00 59.98 58.21 3i16 h ARG 269 Cb 0.53 0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 29.32 3i16 h ARG 269 CO 0.00 1.34 0.61 1.25 2.80 0.00 0.00 179.97 185.97 3i16 h LEU 270 N 0.06 1.01 0.00 3.80 5.85 -0.87 -3.43 115.31 121.74 3i16 h LEU 270 Ca -0.32 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3i16 h LEU 270 Cb 2.07 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3i16 h LEU 270 CO 0.19 0.68 0.00 0.35 -0.34 0.00 0.00 178.44 179.32 3i16 n THR 271 N -4.50 0.00 -3.95 1.05 -2.24 -0.50 -5.10 114.28 99.05 3i16 n THR 271 Ca 0.13 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3i16 n THR 271 Cb 0.11 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 3i16 n THR 271 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i16 s VAL 272 N 2.30 0.17 0.21 2.28 -7.23 -1.13 -4.89 120.40 112.11 3i16 s VAL 272 Ca 0.00 -1.37 -0.32 0.00 -1.81 0.00 0.00 61.98 58.49 3i16 s VAL 272 Cb 0.00 -1.30 -0.14 0.00 0.56 0.00 0.00 36.38 35.50 3i16 s VAL 272 CO 0.00 -0.75 1.31 -2.65 -0.31 0.00 0.00 175.10 172.70 3i16 n PRO 273 N 0.18 1.69 0.00 4.82 -0.02 -1.21 -1.69 135.00 138.77 3i16 n PRO 273 Ca -0.16 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3i16 n PRO 273 Cb 0.61 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3i16 n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i16 n GLY 274 N 2.11 1.90 0.72 -1.23 0.00 -1.26 -4.79 105.19 102.63 3i16 n GLY 274 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3i16 n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i16 n ILE 275 N -2.00 1.24 -1.49 -0.61 2.08 -0.68 -5.05 119.36 112.84 3i16 n ILE 275 Ca 0.00 0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.58 3i16 n ILE 275 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 3i16 n ILE 275 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i16 n GLY 276 N 2.75 3.23 0.36 7.39 0.00 -0.69 -2.17 105.19 116.06 3i16 n GLY 276 Ca -0.06 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i16 n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 277 N 0.00 -0.20 0.22 -0.02 0.00 -1.26 -4.24 105.19 99.69 3i16 n GLY 277 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.77 3i16 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i16 h GLU 278 N 1.53 0.00 -6.64 1.61 5.08 -1.85 -3.43 114.58 110.88 3i16 h GLU 278 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3i16 h GLU 278 Cb 0.33 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.40 3i16 h GLU 278 CO 0.00 0.25 -0.78 0.00 -1.00 0.00 0.00 179.01 177.48 3i16 n GLY 280 N 0.90 1.49 3.81 0.00 0.00 0.40 -4.98 105.19 106.81 3i16 n GLY 280 Ca -0.15 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3i16 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i16 s SER 281 N 0.00 5.24 -0.20 1.61 1.04 -1.24 -4.69 113.70 115.46 3i16 s SER 281 Ca 0.00 1.68 0.15 0.00 0.48 0.00 0.00 55.95 58.26 3i16 s SER 281 Cb 0.00 -2.50 0.50 0.00 0.10 0.00 0.00 66.02 64.11 3i16 s SER 281 CO 0.00 -1.54 1.40 0.35 0.98 0.00 0.00 173.24 174.43 3i16 n THR 282 N -3.11 2.31 -1.82 2.02 -2.24 -1.26 -4.98 114.28 105.20 3i16 n THR 282 Ca 0.08 -2.14 -0.13 0.00 -2.27 0.00 0.00 64.05 59.58 3i16 n THR 282 Cb 0.53 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 3i16 n THR 282 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i16 n PHE 283 N -0.78 -0.77 -1.18 4.78 3.72 -1.26 -1.64 117.46 120.33 3i16 n PHE 283 Ca 0.24 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.58 3i16 n PHE 283 Cb 0.90 -2.72 -0.03 0.00 -0.94 0.00 0.00 39.48 36.69 3i16 n PHE 283 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i16 n GLY 284 N -0.49 0.80 0.75 1.37 0.00 -1.26 -4.91 105.19 101.45 3i16 n GLY 284 Ca -0.14 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.64 3i16 n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i16 n VAL 285 N -2.60 0.64 -0.20 1.61 0.24 -0.65 -4.60 118.33 112.78 3i16 n VAL 285 Ca -0.06 -0.82 -0.04 0.00 -2.04 0.00 0.00 64.34 61.38 3i16 n VAL 285 Cb 0.31 0.79 0.15 0.00 -1.47 0.00 0.00 33.84 33.62 3i16 n VAL 285 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3i16 h VAL 286 N 2.72 1.24 -0.97 3.34 3.04 -1.83 -2.52 116.25 121.28 3i16 h VAL 286 Ca 0.00 -0.80 0.02 0.00 -1.01 0.00 0.00 66.70 64.92 3i16 h VAL 286 Cb 0.73 0.50 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 3i16 h VAL 286 CO 0.00 0.31 0.63 -0.09 -1.01 0.00 0.00 177.57 177.42 3i16 h ARG 287 N 0.95 1.22 -1.73 4.17 2.43 -1.86 -1.68 114.38 117.88 3i16 h ARG 287 Ca 0.22 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3i16 h ARG 287 Cb 0.25 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3i16 h ARG 287 CO -0.01 0.81 0.00 -1.13 -1.51 0.00 0.00 179.97 178.13 3i16 n SER 288 N -4.44 1.58 0.00 -3.80 3.41 -0.95 -0.93 113.62 108.48 3i16 n SER 288 Ca 0.12 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 3i16 n SER 288 Cb 0.06 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3i16 n SER 288 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3i16 n TYR 290 N 1.15 0.00 -0.27 7.33 4.01 -0.63 -1.01 117.16 127.73 3i16 n TYR 290 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3i16 n TYR 290 Cb 0.21 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.40 3i16 n TYR 290 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3i16 h GLN 291 N 0.00 1.12 -0.54 -0.72 4.15 -1.29 -2.06 115.11 115.77 3i16 h GLN 291 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 3i16 h GLN 291 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 3i16 h GLN 291 CO 0.00 0.80 0.23 0.78 -1.93 0.00 0.00 178.83 178.71 3i16 h GLY 292 N 1.16 0.85 0.99 2.39 0.00 -1.27 -2.03 103.07 105.17 3i16 h GLY 292 Ca 0.29 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3i16 h GLY 292 CO -0.05 0.43 0.63 -2.00 0.00 0.00 0.00 176.54 175.54 3i16 h LEU 293 N 0.73 1.08 -1.06 3.11 5.85 -1.48 -0.51 115.31 123.03 3i16 h LEU 293 Ca 0.18 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 3i16 h LEU 293 Cb 0.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3i16 h LEU 293 CO -0.02 0.78 -0.08 0.15 -0.34 0.00 0.00 178.44 178.93 3i16 h PHE 294 N 1.28 0.61 0.00 1.25 3.57 -1.04 -2.32 116.94 120.29 3i16 h PHE 294 Ca 0.35 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3i16 h PHE 294 Cb -0.13 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.44 3i16 h PHE 294 CO -0.01 0.64 -0.23 1.28 -2.23 0.00 0.00 178.31 177.76 3i16 n LEU 295 N -4.21 0.73 -0.23 0.59 4.77 -0.79 -4.45 117.00 113.40 3i16 n LEU 295 Ca 0.01 0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 56.37 3i16 n LEU 295 Cb 0.31 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3i16 n LEU 295 CO 0.40 -0.12 1.14 0.00 -1.33 0.00 0.00 177.39 177.49 3i16 h ALA 296 N 2.56 0.82 -1.00 -1.18 0.00 -0.50 -0.80 119.26 119.14 3i16 h ALA 296 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3i16 h ALA 296 Cb 0.72 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3i16 h ALA 296 CO 0.00 0.24 0.63 -1.35 0.00 0.00 0.00 179.25 178.78 3i16 h PRO 297 N 0.87 1.02 0.24 0.00 0.11 -1.78 0.51 132.00 132.98 3i16 h PRO 297 Ca 0.24 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3i16 h PRO 297 Cb -0.10 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.78 3i16 h PRO 297 CO -0.05 0.68 -0.12 1.25 -0.21 0.00 0.00 178.00 179.55 3i16 h HIS 298 N 1.05 -0.30 -0.93 0.65 -0.00 -1.73 -3.33 115.15 110.57 3i16 h HIS 298 Ca 0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.83 3i16 h HIS 298 Cb 0.37 0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 3i16 h HIS 298 CO -0.00 0.05 0.55 0.82 -0.00 0.00 0.00 177.93 179.35 3i16 h ILE 299 N -0.93 1.26 0.00 6.26 1.08 -1.10 -1.87 117.51 122.21 3i16 h ILE 299 Ca -0.03 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 3i16 h ILE 299 Cb 0.49 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3i16 h ILE 299 CO 0.05 0.27 0.00 -1.20 -0.69 0.00 0.00 178.15 176.59 3i16 n SER 300 N -4.35 0.00 0.00 1.72 7.64 0.16 -2.04 113.62 116.75 3i16 n SER 300 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3i16 n SER 300 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3i16 n SER 300 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i16 n GLU 302 N 0.46 0.00 -0.19 1.43 -0.58 -0.70 -1.80 120.64 119.26 3i16 n GLU 302 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 3i16 n GLU 302 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 3i16 n GLU 302 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i16 h ALA 303 N 0.00 0.70 -0.57 0.62 0.00 -1.38 -2.39 119.26 116.24 3i16 h ALA 303 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3i16 h ALA 303 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3i16 h ALA 303 CO 0.00 0.40 -0.02 1.25 0.00 0.00 0.00 179.25 180.88 3i16 h LEU 304 N 0.75 0.99 -1.21 0.00 5.85 -1.63 -1.03 115.31 119.04 3i16 h LEU 304 Ca 0.17 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3i16 h LEU 304 Cb 0.34 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3i16 h LEU 304 CO 0.00 1.06 0.54 0.11 -0.34 0.00 0.00 178.44 179.81 3i16 h LYS 305 N 0.92 1.03 -0.68 1.25 1.57 -1.82 -0.80 116.57 118.04 3i16 h LYS 305 Ca 0.16 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3i16 h LYS 305 Cb 0.56 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3i16 h LYS 305 CO 0.03 0.68 0.31 0.78 -0.57 0.00 0.00 179.45 180.68 3i16 h GLY 306 N 1.06 1.07 1.00 3.86 0.00 -0.88 -1.02 103.07 108.17 3i16 h GLY 306 Ca 0.32 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3i16 h GLY 306 CO -0.08 0.52 0.32 0.00 0.00 0.00 0.00 176.54 177.30 3i16 h ALA 307 N 1.14 0.83 -0.33 3.60 0.00 -0.29 -0.50 119.26 123.70 3i16 h ALA 307 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i16 h ALA 307 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i16 h ALA 307 CO -0.03 0.38 -0.01 0.82 0.00 0.00 0.00 179.25 180.41 3i16 h ILE 308 N 0.88 1.26 -0.42 0.00 2.04 -0.99 0.76 117.51 121.04 3i16 h ILE 308 Ca 0.22 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3i16 h ILE 308 Cb 0.10 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3i16 h ILE 308 CO -0.03 0.33 0.27 0.25 0.00 0.00 0.00 178.15 178.97 3i16 h LEU 309 N 0.40 0.47 -0.34 1.44 5.85 -1.09 -1.80 115.31 120.24 3i16 h LEU 309 Ca 0.09 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3i16 h LEU 309 Cb 0.47 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3i16 h LEU 309 CO 0.02 0.34 0.15 0.00 -0.34 0.00 0.00 178.44 178.61 3i16 h SER 311 N 0.31 -0.90 -0.18 0.00 0.87 -0.49 -3.13 113.55 110.03 3i16 h SER 311 Ca 0.15 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 3i16 h SER 311 Cb 0.09 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3i16 h SER 311 CO -0.12 -0.34 -0.33 -0.09 -0.53 0.00 0.00 176.83 175.41 3i16 h ARG 312 N -0.39 0.55 -0.70 2.24 9.65 -1.12 -1.34 114.38 123.26 3i16 h ARG 312 Ca 0.09 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 3i16 h ARG 312 Cb 0.52 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3i16 h ARG 312 CO -0.31 0.95 0.00 1.51 2.80 0.00 0.00 179.97 184.93 3i16 n ILE 313 N -4.32 0.04 0.00 1.20 3.06 -0.04 -1.17 119.36 118.14 3i16 n ILE 313 Ca -0.06 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 3i16 n ILE 313 Cb 0.49 -0.23 0.00 0.00 0.54 0.00 0.00 39.64 40.45 3i16 n ILE 313 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3i16 n GLU 315 N 0.60 0.00 -0.13 9.51 2.13 -0.51 -1.25 120.64 131.00 3i16 n GLU 315 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i16 n GLU 315 Cb 0.04 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.01 3i16 n GLU 315 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i16 h LEU 316 N 0.00 0.73 -1.77 4.31 3.38 -1.40 -1.76 115.31 118.81 3i16 h LEU 316 Ca 0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3i16 h LEU 316 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3i16 h LEU 316 CO 0.00 0.63 -0.14 0.00 0.09 0.00 0.00 178.44 179.01 3i16 h ALA 317 N 1.49 1.25 0.00 1.53 0.00 -1.42 -3.46 119.26 118.65 3i16 h ALA 317 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i16 h ALA 317 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i16 h ALA 317 CO -0.03 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3i16 n GLY 318 N -0.56 1.43 3.91 0.00 0.00 -0.66 -5.14 105.19 104.18 3i16 n GLY 318 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3i16 n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i16 s PHE 319 N -2.00 3.52 0.30 1.61 0.08 -1.26 -5.01 117.98 115.23 3i16 s PHE 319 Ca 0.00 0.37 -0.28 0.00 0.12 0.00 0.00 56.93 57.14 3i16 s PHE 319 Cb 0.00 -1.85 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 3i16 s PHE 319 CO 0.00 0.57 1.08 -1.21 -0.10 0.00 0.00 175.22 175.56 3i16 s GLU 320 N -2.36 4.55 0.01 0.44 2.02 -1.24 -3.93 118.70 118.18 3i16 s GLU 320 Ca 0.34 1.73 0.00 0.00 0.02 0.00 0.00 54.97 57.06 3i16 s GLU 320 Cb -0.13 -3.06 -0.00 0.00 0.10 0.00 0.00 34.13 31.04 3i16 s GLU 320 CO 0.24 0.16 0.00 1.33 0.02 0.00 0.00 175.26 177.01 3i16 n VAL 321 N 0.95 0.00 -0.26 2.63 0.24 -1.26 -1.17 118.33 119.46 3i16 n VAL 321 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.34 61.95 3i16 n VAL 321 Cb 0.46 0.02 0.29 0.00 -1.47 0.00 0.00 33.84 33.14 3i16 n VAL 321 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3i16 n PRO 323 N -0.02 -4.59 -1.97 7.34 -0.04 -1.26 -5.00 135.00 129.46 3i16 n PRO 323 Ca -0.00 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.81 3i16 n PRO 323 Cb 0.01 -1.94 0.04 0.00 -0.04 0.00 0.00 33.50 31.58 3i16 n PRO 323 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i16 s LYS 324 N -4.95 2.89 0.54 0.54 -0.14 -1.26 -4.86 119.74 112.50 3i16 s LYS 324 Ca 0.67 0.39 0.28 0.00 -1.36 0.00 0.00 55.97 55.95 3i16 s LYS 324 Cb -0.13 -2.07 1.57 0.00 -1.68 0.00 0.00 37.83 35.52 3i16 s LYS 324 CO 0.57 -0.96 2.13 0.10 -0.76 0.00 0.00 175.35 176.42 3i16 h TYR 325 N -0.56 0.00 -0.35 3.18 -0.00 -1.88 -2.84 116.97 114.52 3i16 h TYR 325 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3i16 h TYR 325 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3i16 h TYR 325 CO 0.50 0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 178.34 3i16 n ASP 326 N -3.68 3.94 -4.91 0.10 5.75 -1.26 -4.96 116.55 111.53 3i16 n ASP 326 Ca -0.02 -2.72 -0.28 0.00 -0.01 0.00 0.00 54.79 51.76 3i16 n ASP 326 Cb 0.19 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 3i16 n ASP 326 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3i16 s GLU 327 N -2.30 3.60 0.05 0.11 2.02 -1.08 -5.05 118.70 116.05 3i16 s GLU 327 Ca 0.40 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.98 3i16 s GLU 327 Cb 0.30 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 3i16 s GLU 327 CO 0.13 0.28 1.19 0.21 0.02 0.00 0.00 175.26 177.09 3i16 s LYS 328 N -3.46 4.43 -0.04 1.61 2.20 -1.26 -4.95 119.74 118.26 3i16 s LYS 328 Ca 0.42 1.75 -0.01 0.00 -0.36 0.00 0.00 55.97 57.78 3i16 s LYS 328 Cb -0.11 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3i16 s LYS 328 CO 0.29 -0.27 0.03 1.03 -0.36 0.00 0.00 175.35 176.07 3i16 s ARG 329 N 1.18 2.97 0.00 4.03 0.52 -1.26 -4.95 118.95 121.44 3i16 s ARG 329 Ca 0.58 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 3i16 s ARG 329 Cb -0.29 -2.79 0.05 0.00 0.52 0.00 0.00 34.95 32.44 3i16 s ARG 329 CO 0.28 0.67 0.98 0.45 0.02 0.00 0.00 175.30 177.70 3i16 n SER 330 N 1.64 2.02 -3.40 0.23 2.88 -1.26 -4.87 113.62 110.86 3i16 n SER 330 Ca -0.16 -1.87 -0.09 0.00 -1.33 0.00 0.00 58.87 55.42 3i16 n SER 330 Cb 0.53 -0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 3i16 n SER 330 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3i16 s ASP 331 N -0.89 0.03 0.00 -3.46 1.47 -1.26 -4.07 116.67 108.50 3i16 s ASP 331 Ca 0.04 -1.00 0.19 0.00 1.18 0.00 0.00 52.55 52.96 3i16 s ASP 331 Cb 0.02 0.75 0.53 0.00 -0.34 0.00 0.00 42.92 43.89 3i16 s ASP 331 CO 0.03 -1.46 1.43 2.30 0.68 0.00 0.00 175.17 178.15 3i16 n ILE 332 N -0.49 0.50 -3.22 2.11 -5.35 -1.13 -4.96 119.36 106.81 3i16 n ILE 332 Ca -0.05 -0.60 -0.39 0.00 -0.27 0.00 0.00 62.75 61.44 3i16 n ILE 332 Cb 0.60 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.95 3i16 n ILE 332 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i16 s ILE 333 N -1.50 4.73 -0.13 7.28 1.01 -1.26 -4.52 121.20 126.81 3i16 s ILE 333 Ca 0.35 1.29 0.03 0.00 0.00 0.00 0.00 60.65 62.31 3i16 s ILE 333 Cb 0.19 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.73 3i16 s ILE 333 CO 0.26 0.52 -0.22 -1.58 0.00 0.00 0.00 174.94 173.93 3i16 s GLN 334 N -0.91 2.95 0.02 2.79 2.00 0.14 -4.72 119.66 121.92 3i16 s GLN 334 Ca 0.30 -0.83 0.02 0.00 -2.00 0.00 0.00 55.36 52.85 3i16 s GLN 334 Cb -0.20 -2.35 -0.04 0.00 0.80 0.00 0.00 33.01 31.23 3i16 s GLN 334 CO 0.20 0.03 0.01 -1.54 -0.50 0.00 0.00 175.29 173.48 3i16 s SER 335 N 0.72 5.15 -0.08 6.67 1.04 -1.26 -0.72 113.70 125.22 3i16 s SER 335 Ca -0.10 -0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 3i16 s SER 335 Cb -0.16 -1.34 0.02 0.00 0.10 0.00 0.00 66.02 64.65 3i16 s SER 335 CO 0.01 0.26 -0.04 -0.63 0.98 0.00 0.00 173.24 173.82 3i16 s ILE 336 N -1.14 0.66 -0.43 -1.02 1.09 -0.34 -4.46 121.20 115.57 3i16 s ILE 336 Ca 0.21 -0.09 -0.21 0.00 -1.10 0.00 0.00 60.65 59.46 3i16 s ILE 336 Cb -0.12 -0.74 0.02 0.00 -1.06 0.00 0.00 42.46 40.57 3i16 s ILE 336 CO 0.12 0.30 0.66 -0.75 -0.10 0.00 0.00 174.94 175.17 3i16 s LYS 337 N 1.63 3.32 0.01 2.79 2.20 -0.32 -1.02 119.74 128.36 3i16 s LYS 337 Ca 0.01 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 3i16 s LYS 337 Cb -0.13 -3.94 -0.24 0.00 -1.51 0.00 0.00 37.83 32.01 3i16 s LYS 337 CO -0.05 -1.01 0.88 0.74 -0.36 0.00 0.00 175.35 175.55 3i16 h PHE 338 N 8.87 0.18 -6.26 4.03 0.04 -1.31 -3.30 116.94 119.19 3i16 h PHE 338 Ca -0.25 -0.13 -0.46 0.00 2.80 0.00 0.00 57.97 59.92 3i16 h PHE 338 Cb 1.10 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 3i16 h PHE 338 CO 0.74 1.17 -0.79 0.09 -0.60 0.00 0.00 178.31 178.92 3i16 n ASN 339 N -3.29 -3.27 -3.15 2.17 3.02 -0.13 -4.93 115.26 105.67 3i16 n ASN 339 Ca -0.13 -0.81 0.06 0.00 -0.03 0.00 0.00 54.58 53.66 3i16 n ASN 339 Cb 1.02 -3.86 -0.02 0.00 -0.61 0.00 0.00 39.78 36.31 3i16 n ASN 339 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i16 s ASP 340 N -3.73 -0.19 0.35 6.41 -1.08 -1.26 -5.05 116.67 112.13 3i16 s ASP 340 Ca 0.40 0.13 0.05 0.00 -0.52 0.00 0.00 52.55 52.61 3i16 s ASP 340 Cb -0.20 1.16 0.65 0.00 -1.46 0.00 0.00 42.92 43.07 3i16 s ASP 340 CO 0.83 -0.04 1.92 0.50 0.52 0.00 0.00 175.17 178.90 3i16 h LYS 341 N 7.96 0.56 0.17 4.34 3.64 -1.93 -2.45 116.57 128.86 3i16 h LYS 341 Ca -0.11 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3i16 h LYS 341 Cb 1.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3i16 h LYS 341 CO -0.19 0.52 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.99 3i16 h ASP 342 N 0.55 -0.20 -0.90 4.20 5.19 -2.00 -2.22 116.42 121.04 3i16 h ASP 342 Ca 0.13 -0.25 0.08 0.00 -0.62 0.00 0.00 57.03 56.36 3i16 h ASP 342 Cb 0.22 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.72 3i16 h ASP 342 CO -0.00 0.16 0.58 0.11 -3.12 0.00 0.00 179.24 176.98 3i16 h LYS 343 N -0.58 0.94 0.79 3.56 1.57 -1.95 -1.58 116.57 119.31 3i16 h LYS 343 Ca -0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3i16 h LYS 343 Cb 0.44 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i16 h LYS 343 CO 0.04 0.62 -0.48 1.25 -0.57 0.00 0.00 179.45 180.31 3i16 h LEU 344 N 0.97 -1.22 -0.82 2.94 5.85 -1.30 0.40 115.31 122.12 3i16 h LEU 344 Ca 0.40 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.14 3i16 h LEU 344 Cb 0.29 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3i16 h LEU 344 CO -0.16 -0.74 0.32 0.40 -0.34 0.00 0.00 178.44 177.91 3i16 h ILE 345 N -1.19 1.26 -0.85 4.05 1.08 -1.16 -1.74 117.51 118.96 3i16 h ILE 345 Ca -0.11 -0.82 0.05 0.00 -0.39 0.00 0.00 64.86 63.59 3i16 h ILE 345 Cb 0.95 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 3i16 h ILE 345 CO 0.11 0.34 0.56 -0.33 -0.69 0.00 0.00 178.15 178.13 3i16 h GLU 346 N 1.15 0.98 -0.18 2.37 4.39 -1.24 -0.49 114.58 121.55 3i16 h GLU 346 Ca 0.26 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3i16 h GLU 346 Cb 0.21 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3i16 h GLU 346 CO -0.02 0.65 0.04 0.35 -1.16 0.00 0.00 179.01 178.86 3i16 h PHE 347 N 1.01 0.32 -0.37 4.33 3.57 -0.03 -0.97 116.94 124.79 3i16 h PHE 347 Ca 0.35 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3i16 h PHE 347 Cb 0.11 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3i16 h PHE 347 CO -0.00 0.44 0.05 0.00 -2.23 0.00 0.00 178.31 176.58 3i16 h LYS 349 N 0.54 0.95 -0.58 0.00 1.57 -0.85 -2.15 116.57 116.06 3i16 h LYS 349 Ca 0.12 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3i16 h LYS 349 Cb 0.27 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3i16 h LYS 349 CO 0.00 0.99 0.33 0.78 -0.57 0.00 0.00 179.45 180.98 3i16 h GLY 350 N 0.97 0.82 1.01 3.86 0.00 -0.18 -1.64 103.07 107.90 3i16 h GLY 350 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3i16 h GLY 350 CO 0.04 0.18 0.47 -2.22 0.00 0.00 0.00 176.54 175.01 3i16 h ILE 351 N 0.64 1.22 -0.44 2.60 1.08 -0.99 -1.47 117.51 120.15 3i16 h ILE 351 Ca 0.24 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3i16 h ILE 351 Cb 0.09 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 33.95 3i16 h ILE 351 CO -0.13 0.24 0.22 -0.61 -0.69 0.00 0.00 178.15 177.18 3i16 h GLN 352 N 1.08 0.63 0.00 2.37 5.75 -0.90 -2.17 115.11 121.87 3i16 h GLN 352 Ca 0.28 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3i16 h GLN 352 Cb -0.03 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3i16 h GLN 352 CO -0.05 0.52 0.00 1.79 -2.65 0.00 0.00 178.83 178.44 3i16 h THR 353 N 0.57 0.00 -0.16 2.39 1.35 -0.89 -1.40 112.91 114.78 3i16 h THR 353 Ca 0.15 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3i16 h THR 353 Cb 0.09 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3i16 h THR 353 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3i16 n GLY 354 N -0.39 0.16 3.93 5.82 0.00 -0.59 -4.92 105.19 109.19 3i16 n GLY 354 Ca -0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 3i16 n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i16 s SER 355 N -1.53 6.38 0.16 1.61 0.01 -0.53 -4.59 113.70 115.21 3i16 s SER 355 Ca 0.31 0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.95 3i16 s SER 355 Cb 0.16 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 3i16 s SER 355 CO 0.25 -0.06 1.37 1.55 0.41 0.00 0.00 173.24 176.76 3i16 h PRO 356 N 1.88 0.36 -5.78 12.44 0.13 -1.88 -3.38 132.00 135.78 3i16 h PRO 356 Ca -0.48 -0.35 -0.67 0.00 -0.87 0.00 0.00 66.00 63.63 3i16 h PRO 356 Cb 1.19 0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 3i16 h PRO 356 CO 0.67 1.02 -0.63 0.42 -0.23 0.00 0.00 178.00 179.25 3i16 s ILE 357 N -3.40 4.26 -1.43 -3.56 -1.09 -1.21 -4.55 121.20 110.21 3i16 s ILE 357 Ca -0.05 -0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.04 3i16 s ILE 357 Cb 0.10 -2.82 0.04 0.00 -1.58 0.00 0.00 42.46 38.20 3i16 s ILE 357 CO 0.85 0.57 0.60 0.47 -1.23 0.00 0.00 174.94 176.20 3i16 n ASP 358 N 2.56 -5.00 0.32 3.58 8.00 -1.26 -4.02 116.55 120.72 3i16 n ASP 358 Ca -0.18 -0.37 0.21 0.00 0.71 0.00 0.00 54.79 55.15 3i16 n ASP 358 Cb 0.53 -4.06 1.07 0.00 -0.02 0.00 0.00 41.12 38.64 3i16 n ASP 358 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3i16 h SER 359 N -1.31 0.00 0.26 -2.24 4.64 -1.76 -2.45 113.55 110.70 3i16 h SER 359 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3i16 h SER 359 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3i16 h SER 359 CO 0.56 0.01 -0.75 2.22 -0.87 0.00 0.00 176.83 178.00 3i16 n PHE 360 N -3.18 0.00 -2.35 4.77 1.16 -1.26 -3.93 117.46 112.68 3i16 n PHE 360 Ca -0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.14 3i16 n PHE 360 Cb 0.13 -0.13 -0.03 0.00 -1.61 0.00 0.00 39.48 37.84 3i16 n PHE 360 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3i16 s VAL 361 N -3.00 3.94 -0.37 1.97 1.01 -0.92 -4.99 120.40 118.04 3i16 s VAL 361 Ca 0.09 1.33 -0.23 0.00 0.00 0.00 0.00 61.98 63.18 3i16 s VAL 361 Cb 0.17 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3i16 s VAL 361 CO 0.78 0.03 0.75 -0.55 0.00 0.00 0.00 175.10 176.12 3i16 s SER 362 N 1.47 6.51 0.39 3.32 0.15 -1.26 -4.83 113.70 119.45 3i16 s SER 362 Ca 0.60 0.27 -0.23 0.00 0.70 0.00 0.00 55.95 57.29 3i16 s SER 362 Cb -0.29 -2.38 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 3i16 s SER 362 CO 0.26 -0.71 0.94 0.00 1.20 0.00 0.00 173.24 174.93 3i16 s GLU 364 N -2.77 0.89 0.44 0.00 0.41 -1.26 -4.87 118.70 111.53 3i16 s GLU 364 Ca 0.58 -1.30 -0.25 0.00 -0.41 0.00 0.00 54.97 53.58 3i16 s GLU 364 Cb -0.12 0.27 -0.08 0.00 -1.78 0.00 0.00 34.13 32.41 3i16 s GLU 364 CO 0.17 -0.26 1.35 -2.14 -0.49 0.00 0.00 175.26 173.90 3i16 s PRO 365 N -3.99 3.77 0.15 0.39 0.02 -1.26 -4.57 135.00 129.51 3i16 s PRO 365 Ca 0.17 2.26 -0.08 0.00 0.02 0.00 0.00 61.00 63.37 3i16 s PRO 365 Cb 0.07 -2.66 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 3i16 s PRO 365 CO -0.02 -0.69 0.26 1.67 -0.33 0.00 0.00 177.00 177.88 3i16 s TRP 366 N -1.25 0.39 0.65 6.54 1.48 -0.24 -4.90 118.94 121.61 3i16 s TRP 366 Ca 0.60 -0.76 -0.11 0.00 -1.06 0.00 0.00 56.10 54.77 3i16 s TRP 366 Cb -0.40 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 31.81 3i16 s TRP 366 CO 0.51 -0.69 1.04 -0.51 -4.06 0.00 0.00 176.95 173.25 3i16 s ASP 367 N -2.96 5.88 -0.27 -2.66 1.01 -1.26 -3.08 116.67 113.32 3i16 s ASP 367 Ca 0.16 1.47 -0.07 0.00 0.71 0.00 0.00 52.55 54.82 3i16 s ASP 367 Cb 0.04 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 3i16 s ASP 367 CO -0.01 -1.10 0.06 -2.84 0.21 0.00 0.00 175.17 171.49 3i16 s PRO 369 N -5.14 3.31 0.00 8.23 0.02 -1.26 -5.03 135.00 135.12 3i16 s PRO 369 Ca 0.56 -0.71 0.00 0.00 0.02 0.00 0.00 61.00 60.88 3i16 s PRO 369 Cb -0.12 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.08 3i16 s PRO 369 CO 0.54 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 177.29 3i16 n GLY 370 N 4.88 0.78 3.41 0.52 0.00 -1.26 -4.97 105.19 108.55 3i16 n GLY 370 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3i16 n GLY 370 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i16 s TYR 371 N -2.00 2.18 -0.04 1.61 1.51 -1.26 -2.35 117.35 117.00 3i16 s TYR 371 Ca 0.00 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3i16 s TYR 371 Cb 0.00 -1.06 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 3i16 s TYR 371 CO 0.00 0.49 -0.00 1.15 -1.11 0.00 0.00 175.55 176.08 3i16 h THR 372 N 3.06 0.00 -3.98 -0.71 2.02 -1.99 -3.47 112.91 107.83 3i16 h THR 372 Ca -0.44 -0.42 -0.46 0.00 0.77 0.00 0.00 66.41 65.86 3i16 h THR 372 Cb 1.22 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 67.71 3i16 h THR 372 CO 0.51 0.00 0.28 -1.81 0.37 0.00 0.00 175.52 174.87 3i16 s ASP 373 N -4.08 4.66 0.06 4.18 1.01 -1.26 -5.05 116.67 116.21 3i16 s ASP 373 Ca -0.00 0.52 -0.27 0.00 0.71 0.00 0.00 52.55 53.51 3i16 s ASP 373 Cb 0.00 -1.11 -0.05 0.00 1.01 0.00 0.00 42.92 42.77 3i16 s ASP 373 CO 0.00 -1.73 0.86 -1.10 0.21 0.00 0.00 175.17 173.41 3i16 s GLN 374 N -5.36 4.58 0.00 8.23 -0.21 -1.26 -4.93 119.66 120.71 3i16 s GLN 374 Ca 0.61 1.24 0.07 0.00 0.02 0.00 0.00 55.36 57.30 3i16 s GLN 374 Cb -0.10 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 3i16 s GLN 374 CO 0.46 0.22 -0.20 0.08 -2.12 0.00 0.00 175.29 173.73 3i16 s VAL 375 N 0.08 2.60 0.50 1.09 1.01 -1.18 -1.04 120.40 123.46 3i16 s VAL 375 Ca 0.43 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3i16 s VAL 375 Cb -0.22 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.22 3i16 s VAL 375 CO 0.26 0.46 0.69 0.00 0.00 0.00 0.00 175.10 176.51 3i16 n ILE 376 N 1.98 0.00 -3.67 2.22 3.06 -1.17 -1.08 119.36 120.71 3i16 n ILE 376 Ca -0.16 -1.66 -0.12 0.00 -2.50 0.00 0.00 62.75 58.31 3i16 n ILE 376 Cb 0.52 -0.59 -0.12 0.00 0.54 0.00 0.00 39.64 39.99 3i16 n ILE 376 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i16 s ALA 378 N -2.60 -0.71 -0.38 1.51 0.00 0.28 -1.54 121.76 118.32 3i16 s ALA 378 Ca 0.52 1.09 0.12 0.00 0.00 0.00 0.00 51.96 53.69 3i16 s ALA 378 Cb -0.04 -1.07 0.39 0.00 0.00 0.00 0.00 23.12 22.39 3i16 s ALA 378 CO 0.33 -0.64 1.04 0.00 0.00 0.00 0.00 175.76 176.49 3i16 n ALA 379 N 5.28 1.64 -2.46 0.00 0.00 -1.26 -2.05 120.51 121.66 3i16 n ALA 379 Ca -0.08 -2.38 -0.39 0.00 0.00 0.00 0.00 53.44 50.59 3i16 n ALA 379 Cb 0.50 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3i16 n ALA 379 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i16 s GLY 380 N -2.08 1.24 0.17 0.00 0.00 -1.26 -4.69 107.32 100.71 3i16 s GLY 380 Ca 0.28 -2.61 0.09 0.00 0.00 0.00 0.00 44.72 42.48 3i16 s GLY 380 CO -0.04 2.91 -0.19 0.00 0.00 0.00 0.00 173.10 175.78 3i16 s ALA 381 N 5.85 2.10 0.19 3.20 0.00 -1.26 -3.35 121.76 128.49 3i16 s ALA 381 Ca 0.56 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 3i16 s ALA 381 Cb 0.02 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.03 3i16 s ALA 381 CO 0.06 0.26 1.60 0.74 0.00 0.00 0.00 175.76 178.41 3i16 h PHE 382 N 3.19 1.05 -3.46 0.00 0.04 -1.94 -3.41 116.94 112.41 3i16 h PHE 382 Ca -0.43 -0.24 -0.66 0.00 2.80 0.00 0.00 57.97 59.45 3i16 h PHE 382 Cb 1.21 -0.25 -0.28 0.00 2.20 0.00 0.00 35.95 38.83 3i16 h PHE 382 CO 0.69 1.02 -0.70 0.42 -0.60 0.00 0.00 178.31 179.14 3i16 s ILE 383 N -4.71 3.45 0.01 -0.55 -1.09 -1.26 -5.06 121.20 112.00 3i16 s ILE 383 Ca -0.11 -0.58 -0.31 0.00 -2.23 0.00 0.00 60.65 57.42 3i16 s ILE 383 Cb 0.13 -2.64 -0.10 0.00 -1.58 0.00 0.00 42.46 38.27 3i16 s ILE 383 CO 0.86 0.33 1.94 1.67 -1.23 0.00 0.00 174.94 178.51 3i16 n GLN 384 N 4.80 2.69 -0.91 2.79 7.27 -1.26 -1.44 117.38 131.32 3i16 n GLN 384 Ca -0.17 0.99 0.00 0.00 0.07 0.00 0.00 57.00 57.88 3i16 n GLN 384 Cb 0.50 -2.91 0.00 0.00 2.41 0.00 0.00 30.24 30.24 3i16 n GLN 384 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i16 n GLY 385 N 4.49 0.89 3.72 1.69 0.00 -1.26 -5.01 105.19 109.71 3i16 n GLY 385 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3i16 n GLY 385 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i16 s SER 386 N -2.83 6.45 0.00 1.61 0.15 -0.52 -4.89 113.70 113.67 3i16 s SER 386 Ca 0.00 2.79 0.17 0.00 0.70 0.00 0.00 55.95 59.61 3i16 s SER 386 Cb 0.00 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.11 3i16 s SER 386 CO 0.00 -0.92 1.32 -1.54 1.20 0.00 0.00 173.24 173.29 3i16 n SER 387 N 3.96 3.22 0.07 5.45 3.41 -1.05 -3.82 113.62 124.86 3i16 n SER 387 Ca 0.15 -1.93 0.12 0.00 -0.26 0.00 0.00 58.87 56.95 3i16 n SER 387 Cb 0.36 -0.27 0.15 0.00 -0.26 0.00 0.00 64.21 64.18 3i16 n SER 387 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3i16 h ILE 388 N 3.31 0.00 -3.52 -1.33 6.09 -1.83 -3.19 117.51 117.04 3i16 h ILE 388 Ca 0.00 -0.54 -0.52 0.00 -1.37 0.00 0.00 64.86 62.42 3i16 h ILE 388 Cb 0.84 1.11 -0.03 0.00 0.47 0.00 0.00 36.82 39.21 3i16 h ILE 388 CO 0.00 0.00 -0.05 -1.61 -3.07 0.00 0.00 178.15 173.42 3i16 s GLU 389 N -3.19 3.85 -0.04 2.19 2.02 -1.25 -0.76 118.70 121.52 3i16 s GLU 389 Ca 0.05 0.38 -0.37 0.00 0.02 0.00 0.00 54.97 55.06 3i16 s GLU 389 Cb 0.13 -2.57 -0.15 0.00 0.10 0.00 0.00 34.13 31.63 3i16 s GLU 389 CO 0.73 0.25 1.57 -0.11 0.02 0.00 0.00 175.26 177.72 3i16 n LEU 390 N -0.28 2.30 -3.63 1.80 7.94 -1.26 -4.14 117.00 119.73 3i16 n LEU 390 Ca 0.01 1.08 -0.10 0.00 -1.11 0.00 0.00 56.01 55.90 3i16 n LEU 390 Cb 0.53 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 43.22 3i16 n LEU 390 CO 0.44 -0.63 0.37 -0.94 -1.11 0.00 0.00 177.39 175.53 3i16 s SER 391 N 1.94 -0.39 -0.12 1.96 1.04 -0.36 -4.50 113.70 113.27 3i16 s SER 391 Ca 0.89 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.90 3i16 s SER 391 Cb -0.92 0.62 0.03 0.00 0.10 0.00 0.00 66.02 65.85 3i16 s SER 391 CO 0.52 -1.08 0.35 0.00 0.98 0.00 0.00 173.24 174.01 3i16 s ALA 392 N -3.83 -0.86 0.01 5.32 0.00 -0.87 -1.97 121.76 119.57 3i16 s ALA 392 Ca 0.06 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 3i16 s ALA 392 Cb -0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 3i16 s ALA 392 CO -0.05 -0.18 0.04 0.16 0.00 0.00 0.00 175.76 175.74 3i16 s ASP 393 N 0.03 0.15 -0.30 0.00 1.47 0.24 0.10 116.67 118.36 3i16 s ASP 393 Ca -0.01 -0.38 0.01 0.00 1.18 0.00 0.00 52.55 53.35 3i16 s ASP 393 Cb -0.03 0.15 0.19 0.00 -0.34 0.00 0.00 42.92 42.89 3i16 s ASP 393 CO 0.01 -0.34 0.59 0.00 0.68 0.00 0.00 175.17 176.11 3i16 s ALA 394 N -1.46 -2.26 0.24 2.11 0.00 -0.59 -0.22 121.76 119.57 3i16 s ALA 394 Ca -0.15 1.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 3i16 s ALA 394 Cb -0.09 -2.26 -0.14 0.00 0.00 0.00 0.00 23.12 20.63 3i16 s ALA 394 CO 0.00 -1.48 1.37 -2.30 0.00 0.00 0.00 175.76 173.35 3i16 n PRO 395 N 5.42 1.92 -2.66 0.00 -0.02 -1.26 -3.03 135.00 135.37 3i16 n PRO 395 Ca 0.01 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3i16 n PRO 395 Cb 0.52 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3i16 n PRO 395 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i16 s ILE 396 N -0.12 4.12 -0.07 4.25 -1.09 -0.21 -4.68 121.20 123.40 3i16 s ILE 396 Ca 0.68 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.92 3i16 s ILE 396 Cb -0.67 -4.97 0.11 0.00 -1.58 0.00 0.00 42.46 35.36 3i16 s ILE 396 CO 0.50 -1.81 0.99 0.00 -1.23 0.00 0.00 174.94 173.40 3i16 s ARG 397 N 4.42 0.65 0.49 2.79 1.70 -1.26 -4.85 118.95 122.89 3i16 s ARG 397 Ca 0.41 -0.23 -0.22 0.00 -0.47 0.00 0.00 55.73 55.21 3i16 s ARG 397 Cb -0.02 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3i16 s ARG 397 CO -0.07 -0.28 1.19 -1.21 -1.08 0.00 0.00 175.30 173.84 3i16 s GLU 398 N -2.87 3.60 -0.09 3.89 2.02 -1.26 -0.20 118.70 123.79 3i16 s GLU 398 Ca 0.06 1.83 0.04 0.00 0.02 0.00 0.00 54.97 56.92 3i16 s GLU 398 Cb -0.01 -2.33 0.26 0.00 0.10 0.00 0.00 34.13 32.15 3i16 s GLU 398 CO -0.07 -0.70 0.99 -0.35 0.02 0.00 0.00 175.26 175.14 3i16 n PRO 399 N -0.69 2.08 -2.87 0.39 -0.04 -1.26 -4.93 135.00 127.69 3i16 n PRO 399 Ca 0.08 -1.01 -0.01 0.00 -0.04 0.00 0.00 63.50 62.53 3i16 n PRO 399 Cb 0.48 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3i16 n PRO 399 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i16 n TYR 400 N 0.15 -2.71 -3.68 0.54 4.01 0.73 -0.96 117.16 115.24 3i16 n TYR 400 Ca 0.11 1.04 -0.36 0.00 -0.16 0.00 0.00 57.90 58.53 3i16 n TYR 400 Cb 0.63 -3.83 -0.07 0.00 -0.31 0.00 0.00 39.34 35.76 3i16 n TYR 400 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3i16 s ILE 401 N -2.94 5.36 -0.01 -0.72 1.01 -1.26 -1.30 121.20 121.34 3i16 s ILE 401 Ca 0.02 0.39 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 3i16 s ILE 401 Cb -0.01 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3i16 s ILE 401 CO 0.67 0.48 0.04 0.00 0.00 0.00 0.00 174.94 176.14 3i16 s ALA 402 N -0.10 3.45 -0.19 9.38 0.00 -0.18 -4.39 121.76 129.72 3i16 s ALA 402 Ca 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3i16 s ALA 402 Cb -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.52 3i16 s ALA 402 CO 0.03 0.66 -0.17 0.71 0.00 0.00 0.00 175.76 176.99 3i16 s TYR 403 N -1.12 2.85 -0.09 0.00 2.02 0.69 -1.20 117.35 120.51 3i16 s TYR 403 Ca 0.20 -1.65 0.02 0.00 -0.37 0.00 0.00 57.07 55.27 3i16 s TYR 403 Cb -0.12 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 3i16 s TYR 403 CO 0.11 -0.79 -0.14 -1.17 -1.57 0.00 0.00 175.55 171.99 3i16 s LEU 404 N 1.29 2.69 0.06 -1.29 1.98 0.10 -0.59 118.68 122.92 3i16 s LEU 404 Ca 0.04 -0.27 -0.24 0.00 -2.89 0.00 0.00 54.13 50.76 3i16 s LEU 404 Cb -0.14 -1.57 0.06 0.00 0.66 0.00 0.00 46.19 45.20 3i16 s LEU 404 CO -0.11 0.26 0.57 0.00 -1.89 0.00 0.00 176.35 175.18 3i16 s GLN 405 N -0.21 1.11 0.00 1.98 0.00 -0.83 -0.69 119.66 121.02 3i16 s GLN 405 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 55.36 55.15 3i16 s GLN 405 Cb -0.13 0.51 0.00 0.00 0.00 0.00 0.00 33.01 33.39 3i16 s GLN 405 CO 0.03 -0.42 0.00 0.41 0.00 0.00 0.00 175.29 175.31 3i16 n GLY 406 N 0.27 0.89 0.00 2.60 0.00 -1.21 -1.23 105.19 106.51 3i16 n GLY 406 Ca -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3i16 n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i16 n GLY 407 N 1.23 2.11 0.30 -0.02 0.00 0.06 -4.23 105.19 104.64 3i16 n GLY 407 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3i16 n GLY 407 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i16 h LEU 408 N 0.00 0.34 -8.36 0.99 3.38 -1.90 -3.17 115.31 106.59 3i16 h LEU 408 Ca 0.00 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.58 3i16 h LEU 408 Cb 0.00 -0.08 -0.22 0.00 0.09 0.00 0.00 40.66 40.45 3i16 h LEU 408 CO 0.00 0.24 -0.77 0.42 0.09 0.00 0.00 178.44 178.42 3i16 s THR 409 N -5.38 0.99 0.29 0.22 -4.23 -1.26 -4.84 115.64 101.44 3i16 s THR 409 Ca -0.07 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3i16 s THR 409 Cb 0.17 -0.97 0.18 0.00 1.34 0.00 0.00 72.50 73.22 3i16 s THR 409 CO 0.72 -0.25 1.86 0.15 -0.54 0.00 0.00 174.62 176.55 3i16 h PHE 410 N 4.35 0.89 -0.69 3.99 3.57 -1.79 -2.10 116.94 125.16 3i16 h PHE 410 Ca -0.40 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.10 3i16 h PHE 410 Cb 1.19 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 3i16 h PHE 410 CO 0.63 0.70 0.39 -0.44 -2.23 0.00 0.00 178.31 177.36 3i16 h ASP 411 N 0.86 0.59 -0.22 0.41 3.32 -1.96 0.12 116.42 119.55 3i16 h ASP 411 Ca 0.20 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3i16 h ASP 411 Cb 0.20 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3i16 h ASP 411 CO -0.01 0.38 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.14 3i16 h HIS 412 N 0.72 0.42 -0.72 4.55 2.76 -1.83 -1.40 115.15 119.65 3i16 h HIS 412 Ca 0.30 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.47 3i16 h HIS 412 Cb 0.17 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 3i16 h HIS 412 CO -0.07 0.58 0.41 0.00 -1.30 0.00 0.00 177.93 177.54 3i16 h ALA 413 N 0.79 0.98 -0.06 5.26 0.00 -1.10 -1.21 119.26 123.92 3i16 h ALA 413 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i16 h ALA 413 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3i16 h ALA 413 CO 0.01 0.07 -0.15 -0.22 0.00 0.00 0.00 179.25 178.97 3i16 h LYS 414 N 0.73 -0.21 -0.49 0.00 3.64 -0.63 -1.32 116.57 118.29 3i16 h LYS 414 Ca 0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3i16 h LYS 414 Cb 0.23 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3i16 h LYS 414 CO -0.20 -0.14 0.32 0.82 -2.27 0.00 0.00 179.45 177.98 3i16 h ILE 415 N -0.22 1.12 -0.92 2.00 2.04 -0.70 -1.47 117.51 119.36 3i16 h ILE 415 Ca 0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3i16 h ILE 415 Cb 0.31 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3i16 h ILE 415 CO -0.18 0.12 0.55 1.23 0.00 0.00 0.00 178.15 179.87 3i16 h GLY 416 N 0.66 1.33 0.97 5.37 0.00 -1.04 -1.42 103.07 108.94 3i16 h GLY 416 Ca 0.18 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 3i16 h GLY 416 CO -0.04 0.54 0.10 -2.22 0.00 0.00 0.00 176.54 174.91 3i16 h ILE 417 N 1.26 1.24 -0.48 2.60 2.04 -0.86 -0.73 117.51 122.59 3i16 h ILE 417 Ca 0.33 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3i16 h ILE 417 Cb -0.05 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3i16 h ILE 417 CO -0.06 0.31 0.21 -0.07 0.00 0.00 0.00 178.15 178.54 3i16 h LEU 418 N 0.65 0.64 0.05 1.44 3.38 -0.93 0.66 115.31 121.19 3i16 h LEU 418 Ca 0.15 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3i16 h LEU 418 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3i16 h LEU 418 CO 0.01 0.61 -0.07 0.40 0.09 0.00 0.00 178.44 179.48 3i16 h ILE 419 N 0.63 0.84 -0.08 1.22 2.04 -1.11 -1.00 117.51 120.04 3i16 h ILE 419 Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3i16 h ILE 419 Cb 0.16 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3i16 h ILE 419 CO -0.02 0.00 0.03 0.00 0.00 0.00 0.00 178.15 178.16 3i16 h ALA 420 N 0.80 0.10 -0.56 1.87 0.00 -0.94 -2.72 119.26 117.81 3i16 h ALA 420 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3i16 h ALA 420 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3i16 h ALA 420 CO -0.03 -0.30 0.24 1.25 0.00 0.00 0.00 179.25 180.40 3i16 h LEU 421 N -0.04 0.72 -2.02 0.00 5.85 -0.87 -2.12 115.31 116.84 3i16 h LEU 421 Ca 0.03 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3i16 h LEU 421 Cb 0.18 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3i16 h LEU 421 CO -0.00 0.64 -0.09 0.28 -0.34 0.00 0.00 178.44 178.92 3i16 h SER 422 N 0.79 0.00 0.48 1.25 0.02 -0.87 0.20 113.55 115.42 3i16 h SER 422 Ca 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3i16 h SER 422 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3i16 h SER 422 CO -0.02 0.09 -0.28 0.03 -1.14 0.00 0.00 176.83 175.52 3i16 h ARG 423 N 0.00 0.00 0.00 3.45 3.08 -1.19 -3.33 114.38 116.39 3i16 h ARG 423 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i16 h ARG 423 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i16 h ARG 423 CO 0.01 0.28 -0.88 0.44 -1.07 0.00 0.00 179.97 178.74 3i16 n ILE 424 N -3.82 0.00 -4.61 2.04 -5.35 -0.34 -4.97 119.36 102.31 3i16 n ILE 424 Ca -0.01 -0.25 -0.25 0.00 -0.27 0.00 0.00 62.75 61.96 3i16 n ILE 424 Cb 0.37 0.67 -0.17 0.00 -1.74 0.00 0.00 39.64 38.77 3i16 n ILE 424 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3i16 s VAL 425 N -2.22 1.22 0.00 7.28 1.01 0.56 -5.12 120.40 123.13 3i16 s VAL 425 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3i16 s VAL 425 Cb 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3i16 s VAL 425 CO 0.38 0.38 0.00 0.29 0.00 0.00 0.00 175.10 176.14