#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 2.37 0.27 0.99 1.43 -1.26 -5.15 118.68 117.33 3i16 s LEU 2 Ca 0.00 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 3i16 s LEU 2 Cb 0.00 -1.28 0.35 0.00 0.03 0.00 0.00 46.19 45.29 3i16 s LEU 2 CO 0.00 0.19 1.94 -0.08 0.23 0.00 0.00 176.35 178.63 3i16 h GLU 3 N 3.95 1.21 -0.96 1.70 4.57 -2.06 -1.33 114.58 121.67 3i16 h GLU 3 Ca -0.50 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 57.62 3i16 h GLU 3 Cb 1.17 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 3i16 h GLU 3 CO 0.41 0.80 0.63 0.66 -1.18 0.00 0.00 179.01 180.33 3i16 h SER 4 N 1.25 1.08 -0.51 1.04 4.64 -2.01 -1.49 113.55 117.55 3i16 h SER 4 Ca 0.36 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 3i16 h SER 4 Cb -0.09 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.71 3i16 h SER 4 CO -0.09 0.77 -0.09 0.74 -0.87 0.00 0.00 176.83 177.29 3i16 h THR 5 N 1.27 1.27 -0.41 2.95 2.02 -1.79 -0.79 112.91 117.43 3i16 h THR 5 Ca 0.36 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 3i16 h THR 5 Cb -0.10 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3i16 h THR 5 CO -0.09 0.43 0.24 0.11 0.37 0.00 0.00 175.52 176.58 3i16 h LYS 6 N 0.88 0.56 -0.47 6.66 1.57 -0.71 0.14 116.57 125.20 3i16 h LYS 6 Ca 0.14 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3i16 h LYS 6 Cb 0.64 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3i16 h LYS 6 CO 0.04 0.43 0.08 1.96 -0.57 0.00 0.00 179.45 181.39 3i16 h GLN 7 N 0.54 0.73 -0.36 3.15 1.08 -1.08 -1.53 115.11 117.63 3i16 h GLN 7 Ca 0.15 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 3i16 h GLN 7 Cb 0.02 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3i16 h GLN 7 CO -0.03 0.69 -0.22 0.35 -0.95 0.00 0.00 178.83 178.68 3i16 h PHE 8 N 0.70 0.91 0.00 2.96 3.04 -0.60 -2.53 116.94 121.43 3i16 h PHE 8 Ca 0.15 -0.24 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 3i16 h PHE 8 Cb 0.32 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 3i16 h PHE 8 CO 0.02 0.99 -0.14 -0.07 -2.02 0.00 0.00 178.31 177.09 3i16 h LEU 9 N 0.57 0.00 -1.53 0.59 3.38 -0.28 -2.10 115.31 115.94 3i16 h LEU 9 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3i16 h LEU 9 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3i16 h LEU 9 CO 0.06 0.14 -0.25 0.11 0.09 0.00 0.00 178.44 178.59 3i16 h LYS 10 N 0.00 0.00 0.00 1.13 1.79 -0.84 -1.34 116.57 117.32 3i16 h LYS 10 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3i16 h LYS 10 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3i16 h LYS 10 CO 0.02 0.25 -0.07 -0.22 -1.08 0.00 0.00 179.45 178.34 3i16 h LYS 11 N 0.00 0.00 -0.32 3.15 3.64 -1.34 -0.54 116.57 121.15 3i16 h LYS 11 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i16 h LYS 11 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3i16 h LYS 11 CO 0.03 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.94 3i16 n TYR 12 N -4.19 0.43 -1.92 1.91 4.02 -0.53 -4.92 117.16 111.96 3i16 n TYR 12 Ca -0.03 -0.21 -0.14 0.00 -0.01 0.00 0.00 57.90 57.51 3i16 n TYR 12 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.53 -4.43 -4.62 7.72 5.15 -0.21 -4.92 115.26 114.48 3i16 n ASN 13 Ca 0.13 0.13 -0.43 0.00 -0.60 0.00 0.00 54.58 53.81 3i16 n ASN 13 Cb 0.32 -3.42 -0.02 0.00 -0.53 0.00 0.00 39.78 36.12 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 -2.62 4.40 0.67 -1.44 1.01 -1.06 -4.90 121.20 117.26 3i16 s ILE 14 Ca 0.00 1.41 -0.07 0.00 0.00 0.00 0.00 60.65 62.00 3i16 s ILE 14 Cb 0.00 -4.48 0.04 0.00 0.01 0.00 0.00 42.46 38.03 3i16 s ILE 14 CO 0.00 -0.72 0.99 0.54 0.00 0.00 0.00 174.94 175.75 3i16 s ASN 15 N 2.04 5.05 0.31 3.58 2.20 -1.26 -4.42 114.94 122.43 3i16 s ASN 15 Ca 0.45 0.55 0.00 0.00 -0.94 0.00 0.00 52.86 52.93 3i16 s ASN 15 Cb -0.10 -1.30 0.50 0.00 -2.00 0.00 0.00 41.25 38.35 3i16 s ASN 15 CO 0.23 -1.44 1.91 0.44 -2.94 0.00 0.00 177.10 175.29 3i16 h ASP 16 N -0.49 0.75 -0.71 3.54 3.32 -1.98 -1.76 116.42 119.09 3i16 h ASP 16 Ca -0.45 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 3i16 h ASP 16 Cb 1.30 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3i16 h ASP 16 CO 0.61 0.65 0.43 -0.09 -1.72 0.00 0.00 179.24 179.12 3i16 h ARG 17 N 0.83 0.97 -0.43 3.56 2.43 -1.94 -0.61 114.38 119.18 3i16 h ARG 17 Ca 0.20 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3i16 h ARG 17 Cb 0.12 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3i16 h ARG 17 CO -0.02 0.69 -0.07 0.28 -1.51 0.00 0.00 179.97 179.33 3i16 h VAL 18 N 0.97 1.27 -0.91 0.20 2.07 -1.76 -1.72 116.25 116.38 3i16 h VAL 18 Ca 0.26 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3i16 h VAL 18 Cb -0.03 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3i16 h VAL 18 CO -0.05 0.39 0.58 -0.07 0.02 0.00 0.00 177.57 178.45 3i16 h LEU 19 N 0.63 1.06 -0.35 2.57 3.38 -0.98 -0.29 115.31 121.33 3i16 h LEU 19 Ca 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3i16 h LEU 19 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3i16 h LEU 19 CO 0.04 0.79 0.13 0.11 0.09 0.00 0.00 178.44 179.59 3i16 h LYS 20 N 1.24 0.53 -0.66 1.13 1.57 -0.98 -0.39 116.57 119.02 3i16 h LYS 20 Ca 0.33 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 3i16 h LYS 20 Cb -0.11 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.05 3i16 h LYS 20 CO -0.07 0.54 0.31 -0.07 -0.57 0.00 0.00 179.45 179.59 3i16 h LEU 21 N 0.41 0.40 -0.28 2.94 3.38 -0.98 -0.88 115.31 120.30 3i16 h LEU 21 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i16 h LEU 21 Cb 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i16 h LEU 21 CO -0.01 0.24 0.18 0.22 0.09 0.00 0.00 178.44 179.16 3i16 h TYR 22 N 0.55 0.37 -0.49 1.13 3.20 -0.74 0.15 116.97 121.13 3i16 h TYR 22 Ca 0.32 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3i16 h TYR 22 Cb 0.32 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3i16 h TYR 22 CO -0.12 0.25 0.27 0.93 -1.64 0.00 0.00 178.16 177.85 3i16 h GLU 23 N 0.37 0.69 -0.10 1.82 5.08 -0.63 -2.70 114.58 119.11 3i16 h GLU 23 Ca 0.10 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i16 h GLU 23 Cb -0.02 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3i16 h GLU 23 CO -0.02 0.54 0.06 1.15 -1.00 0.00 0.00 179.01 179.74 3i16 h THR 24 N 0.65 1.08 0.00 1.13 2.02 -1.05 -2.39 112.91 114.35 3i16 h THR 24 Ca 0.17 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3i16 h THR 24 Cb 0.05 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3i16 h THR 24 CO -0.03 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.94 3i16 n ALA 25 N -2.16 1.22 0.00 6.16 0.00 0.51 -1.36 120.51 124.88 3i16 n ALA 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i16 n ALA 25 Cb 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3i16 n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i16 n ASN 27 N 0.74 0.00 0.22 0.00 5.15 -0.90 -1.77 115.26 118.70 3i16 n ASN 27 Ca 0.00 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.04 3i16 n ASN 27 Cb 0.00 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 39.76 3i16 n ASN 27 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3i16 h ASP 28 N 0.00 0.00 -0.15 1.20 3.32 -1.50 -3.25 116.42 116.04 3i16 h ASP 28 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i16 h ASP 28 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i16 h ASP 28 CO 0.00 0.20 0.00 2.30 -1.72 0.00 0.00 179.24 180.02 3i16 n ILE 29 N -4.24 0.20 -0.26 0.35 -5.35 -0.73 -4.56 119.36 104.77 3i16 n ILE 29 Ca -0.02 -0.60 0.01 0.00 -0.27 0.00 0.00 62.75 61.87 3i16 n ILE 29 Cb 0.26 1.24 0.14 0.00 -1.74 0.00 0.00 39.64 39.54 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 3.98 0.67 -0.27 6.28 1.08 -1.83 -2.20 115.11 122.81 3i16 h GLN 30 Ca 0.00 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3i16 h GLN 30 Cb 0.87 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 3i16 h GLN 30 CO 0.00 0.44 -0.11 -0.91 -0.95 0.00 0.00 178.83 177.30 3i16 h ASN 31 N 0.69 0.43 -0.70 1.46 2.35 -1.86 -2.38 115.58 115.57 3i16 h ASN 31 Ca 0.35 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 3i16 h ASN 31 Cb 0.32 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3i16 h ASN 31 CO -0.24 0.58 0.19 1.56 -1.65 0.00 0.00 177.43 177.87 3i16 h GLN 32 N 0.42 1.11 -0.69 0.81 7.50 -1.73 -2.38 115.11 120.14 3i16 h GLN 32 Ca 0.08 -0.26 -0.02 0.00 0.50 0.00 0.00 58.65 58.95 3i16 h GLN 32 Cb 0.45 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.80 3i16 h GLN 32 CO 0.03 0.97 0.34 0.74 -1.50 0.00 0.00 178.83 179.41 3i16 h PHE 33 N 1.05 0.97 -0.17 2.96 -1.00 -0.94 -1.69 116.94 118.11 3i16 h PHE 33 Ca 0.22 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.87 3i16 h PHE 33 Cb 0.35 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3i16 h PHE 33 CO 0.03 0.70 -0.33 0.87 -1.61 0.00 0.00 178.31 177.97 3i16 h LYS 34 N 0.98 0.35 -0.39 1.51 1.57 -1.03 -0.64 116.57 118.92 3i16 h LYS 34 Ca 0.24 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3i16 h LYS 34 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3i16 h LYS 34 CO -0.03 0.65 0.03 0.82 -0.57 0.00 0.00 179.45 180.34 3i16 h ILE 35 N 0.30 1.25 -0.65 1.86 2.04 -0.95 -2.61 117.51 118.75 3i16 h ILE 35 Ca 0.04 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3i16 h ILE 35 Cb 0.74 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i16 h ILE 35 CO 0.06 0.32 0.27 -0.07 0.00 0.00 0.00 178.15 178.73 3i16 h LEU 36 N 0.51 0.87 -1.14 1.44 3.38 -0.86 -2.69 115.31 116.82 3i16 h LEU 36 Ca 0.11 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3i16 h LEU 36 Cb 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3i16 h LEU 36 CO 0.02 0.77 -0.26 0.44 0.09 0.00 0.00 178.44 179.49 3i16 h ASP 37 N 0.93 0.27 -0.57 -0.43 3.32 -0.93 -0.49 116.42 118.53 3i16 h ASP 37 Ca 0.22 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3i16 h ASP 37 Cb 0.17 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3i16 h ASP 37 CO -0.02 0.54 0.03 0.44 -1.72 0.00 0.00 179.24 178.50 3i16 h ASP 38 N 0.24 0.95 -0.09 6.45 3.32 -1.14 -1.68 116.42 124.47 3i16 h ASP 38 Ca 0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3i16 h ASP 38 Cb 0.60 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3i16 h ASP 38 CO 0.04 1.01 0.00 0.40 -1.72 0.00 0.00 179.24 178.98 3i16 h ILE 39 N 0.87 1.25 -0.81 0.35 2.04 -1.28 -3.06 117.51 116.86 3i16 h ILE 39 Ca 0.16 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.34 3i16 h ILE 39 Cb 0.51 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 3i16 h ILE 39 CO 0.02 0.22 0.46 -0.09 0.00 0.00 0.00 178.15 178.76 3i16 h ARG 40 N -0.12 0.75 -0.39 2.37 2.43 -1.02 -1.11 114.38 117.30 3i16 h ARG 40 Ca 0.03 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3i16 h ARG 40 Cb 0.34 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3i16 h ARG 40 CO 0.00 0.49 0.21 1.49 -1.51 0.00 0.00 179.97 180.66 3i16 h GLU 41 N 0.77 0.42 -0.48 0.20 4.81 -1.27 0.55 114.58 119.58 3i16 h GLU 41 Ca 0.39 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 3i16 h GLU 41 Cb 0.37 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3i16 h GLU 41 CO -0.25 0.28 0.19 0.35 -0.73 0.00 0.00 179.01 178.85 3i16 h PHE 42 N 0.43 0.74 -0.28 0.92 3.57 -1.29 -2.67 116.94 118.36 3i16 h PHE 42 Ca 0.16 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 3i16 h PHE 42 Cb 0.03 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3i16 h PHE 42 CO -0.08 0.62 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.46 3i16 h ASN 43 N 0.64 0.55 -0.63 0.41 2.35 -0.70 0.72 115.58 118.93 3i16 h ASN 43 Ca 0.16 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3i16 h ASN 43 Cb 0.20 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3i16 h ASN 43 CO -0.01 0.79 0.33 -0.61 -1.65 0.00 0.00 177.43 176.28 3i16 h GLN 44 N 0.48 0.89 -0.29 0.81 5.75 -0.82 -1.04 115.11 120.89 3i16 h GLN 44 Ca 0.07 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3i16 h GLN 44 Cb 0.69 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 3i16 h GLN 44 CO 0.05 0.69 0.00 1.25 -2.65 0.00 0.00 178.83 178.17 3i16 h LEU 45 N 0.86 0.50 -0.44 -2.39 5.85 -1.10 -1.08 115.31 117.51 3i16 h LEU 45 Ca 0.22 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3i16 h LEU 45 Cb 0.07 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3i16 h LEU 45 CO -0.03 0.68 0.08 0.50 -0.34 0.00 0.00 178.44 179.33 3i16 h LYS 46 N 0.30 0.20 -0.35 1.25 3.64 -0.66 0.54 116.57 121.50 3i16 h LYS 46 Ca 0.08 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3i16 h LYS 46 Cb 0.42 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3i16 h LYS 46 CO 0.01 0.14 -0.09 0.28 -2.27 0.00 0.00 179.45 177.52 3i16 h VAL 47 N 0.21 1.28 -0.51 2.00 2.07 -1.10 -2.38 116.25 117.83 3i16 h VAL 47 Ca 0.22 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.64 3i16 h VAL 47 Cb 0.28 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3i16 h VAL 47 CO -0.29 0.38 0.19 0.25 0.02 0.00 0.00 177.57 178.12 3i16 h LEU 48 N 0.47 0.21 -0.69 2.57 5.85 -0.87 -2.32 115.31 120.54 3i16 h LEU 48 Ca 0.09 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3i16 h LEU 48 Cb 0.60 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3i16 h LEU 48 CO 0.04 0.15 0.45 -1.13 -0.34 0.00 0.00 178.44 177.61 3i16 h ASN 49 N 0.38 0.78 -0.95 1.25 -0.73 -0.79 -1.63 115.58 113.89 3i16 h ASN 49 Ca 0.24 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.41 3i16 h ASN 49 Cb 0.24 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 3i16 h ASN 49 CO -0.23 0.57 0.63 0.00 -0.37 0.00 0.00 177.43 178.02 3i16 h ALA 50 N 1.26 1.21 -0.26 1.57 0.00 -0.91 0.24 119.26 122.36 3i16 h ALA 50 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3i16 h ALA 50 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 3i16 h ALA 50 CO -0.06 0.59 0.13 0.74 0.00 0.00 0.00 179.25 180.65 3i16 h PHE 51 N 1.28 0.38 -0.41 0.00 -1.00 -0.98 -2.38 116.94 113.82 3i16 h PHE 51 Ca 0.35 -0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.99 3i16 h PHE 51 Cb -0.13 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 3i16 h PHE 51 CO -0.01 0.35 -0.26 1.96 -1.61 0.00 0.00 178.31 178.74 3i16 h GLN 52 N 0.30 0.87 -0.19 1.51 4.20 -0.84 -1.88 115.11 119.07 3i16 h GLN 52 Ca 0.09 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 3i16 h GLN 52 Cb 0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3i16 h GLN 52 CO -0.01 1.02 -0.11 0.93 -0.67 0.00 0.00 178.83 179.99 3i16 h GLU 53 N 0.74 0.30 -0.02 1.46 4.39 -0.50 -1.62 114.58 119.34 3i16 h GLU 53 Ca 0.09 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3i16 h GLU 53 Cb 0.81 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3i16 h GLU 53 CO 0.07 0.42 0.00 0.39 -1.16 0.00 0.00 179.01 178.73 3i16 n GLU 54 N -4.27 1.39 -3.83 2.33 -0.58 -0.90 -4.94 120.64 109.84 3i16 n GLU 54 Ca -0.00 -0.58 -0.26 0.00 -0.42 0.00 0.00 57.16 55.90 3i16 n GLU 54 Cb 0.27 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.69 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 -0.29 -4.96 -1.86 3.49 1.74 -0.61 -4.90 116.66 109.27 3i16 n ARG 55 Ca 0.20 0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 3i16 n ARG 55 Cb 0.25 -5.24 -0.01 0.00 -1.02 0.00 0.00 32.46 26.44 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 -3.54 2.22 0.29 0.55 -1.09 -0.97 -5.00 121.20 113.66 3i16 s ILE 56 Ca 0.30 0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.95 3i16 s ILE 56 Cb -0.15 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 3i16 s ILE 56 CO 0.83 0.04 0.19 -0.94 -1.23 0.00 0.00 174.94 173.83 3i16 s SER 57 N 0.08 1.33 0.51 3.58 1.04 -1.26 -4.99 113.70 113.99 3i16 s SER 57 Ca 0.56 -1.59 0.25 0.00 0.48 0.00 0.00 55.95 55.66 3i16 s SER 57 Cb -0.45 0.44 1.37 0.00 0.10 0.00 0.00 66.02 67.48 3i16 s SER 57 CO 0.55 -0.93 2.05 -0.33 0.98 0.00 0.00 173.24 175.55 3i16 h GLU 58 N 2.26 0.00 0.00 4.02 5.08 -2.00 -0.94 114.58 123.01 3i16 h GLU 58 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3i16 h GLU 58 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3i16 h GLU 58 CO 0.47 0.14 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 3i16 h ALA 59 N 1.86 1.00 0.00 3.43 0.00 -1.98 -1.44 119.26 122.13 3i16 h ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i16 h ALA 59 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i16 h ALA 59 CO 0.02 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.99 3i16 n HIS 60 N -2.69 0.00 -2.40 0.00 8.25 -0.36 -4.17 115.22 113.86 3i16 n HIS 60 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3i16 n HIS 60 Cb 0.14 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 3.27 -1.57 4.41 3.72 -0.55 -4.04 117.46 121.43 3i16 n PHE 61 Ca 0.14 -2.88 -0.29 0.00 -0.05 0.00 0.00 57.45 54.38 3i16 n PHE 61 Cb 0.23 -2.01 0.14 0.00 -0.94 0.00 0.00 39.48 36.90 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 0.71 1.97 -0.40 4.37 -4.23 -1.26 -4.95 115.64 111.85 3i16 s THR 62 Ca 0.40 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.01 3i16 s THR 62 Cb 0.08 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 71.47 3i16 s THR 62 CO 0.00 0.00 0.77 -3.20 -0.54 0.00 0.00 174.62 171.65 3i16 n ASN 63 N -3.81 -0.09 -4.78 3.99 5.15 -1.26 -4.40 115.26 110.07 3i16 n ASN 63 Ca 0.08 -3.09 -0.33 0.00 -0.60 0.00 0.00 54.58 50.64 3i16 n ASN 63 Cb 0.59 -0.02 0.04 0.00 -0.53 0.00 0.00 39.78 39.86 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 -1.94 5.21 0.26 1.20 1.04 -1.26 -4.84 113.70 113.37 3i16 s SER 64 Ca 0.35 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.77 3i16 s SER 64 Cb 0.30 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 3i16 s SER 64 CO -0.09 -1.56 0.11 -0.94 0.98 0.00 0.00 173.24 171.74 3i16 s SER 65 N -2.63 1.15 1.43 7.02 1.04 -1.26 -4.03 113.70 116.42 3i16 s SER 65 Ca 0.66 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3i16 s SER 65 Cb -0.20 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3i16 s SER 65 CO 0.41 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3i16 n GLY 66 N -0.47 3.24 0.26 7.32 0.00 -1.26 -1.52 105.19 112.76 3i16 n GLY 66 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.45 1.61 0.05 -1.98 -3.29 116.97 111.91 3i16 h TYR 67 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.53 3i16 h TYR 67 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 3i16 h TYR 67 CO 0.00 0.04 -0.30 0.41 -1.05 0.00 0.00 178.16 177.26 3i16 n GLY 68 N -1.37 0.26 3.76 3.88 0.00 -0.58 -0.28 105.19 110.86 3i16 n GLY 68 Ca -0.03 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3i16 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i16 s TYR 69 N -2.58 2.76 -1.55 1.61 2.02 -1.26 -2.63 117.35 115.72 3i16 s TYR 69 Ca 0.00 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 3i16 s TYR 69 Cb 0.00 -3.99 0.00 0.00 -0.40 0.00 0.00 41.96 37.57 3i16 s TYR 69 CO 0.00 -3.14 0.00 0.41 -1.57 0.00 0.00 175.55 171.25 3i16 n GLY 70 N 1.53 0.35 3.55 0.71 0.00 -1.26 -4.93 105.19 105.14 3i16 n GLY 70 Ca 0.05 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.44 5.55 0.43 1.61 -1.08 -1.08 -4.84 116.67 114.82 3i16 s ASP 71 Ca 0.00 -0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.13 3i16 s ASP 71 Cb 0.00 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.84 3i16 s ASP 71 CO 0.00 -2.23 1.95 0.16 0.52 0.00 0.00 175.17 175.57 3i16 h ILE 72 N 6.68 1.17 -0.50 4.11 3.07 -1.92 -1.74 117.51 128.37 3i16 h ILE 72 Ca -0.22 -0.80 -0.02 0.00 1.55 0.00 0.00 64.86 65.37 3i16 h ILE 72 Cb 1.11 1.42 -0.02 0.00 -0.27 0.00 0.00 36.82 39.06 3i16 h ILE 72 CO 1.24 0.23 0.24 1.23 -1.05 0.00 0.00 178.15 180.04 3i16 h GLY 73 N 0.70 0.77 0.65 0.16 0.00 -1.85 0.52 103.07 104.02 3i16 h GLY 73 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3i16 h GLY 73 CO 0.03 0.36 -0.00 -0.09 0.00 0.00 0.00 176.54 176.84 3i16 h ARG 74 N 0.66 0.03 -0.32 4.80 2.43 -1.76 -2.31 114.38 117.91 3i16 h ARG 74 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3i16 h ARG 74 Cb 0.12 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3i16 h ARG 74 CO -0.02 0.39 0.17 -0.44 -1.51 0.00 0.00 179.97 178.56 3i16 h ASP 75 N -0.33 0.40 0.67 -3.80 3.32 -1.27 -2.43 116.42 112.99 3i16 h ASP 75 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3i16 h ASP 75 Cb 0.38 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3i16 h ASP 75 CO 0.00 0.38 -0.14 0.28 -1.72 0.00 0.00 179.24 178.05 3i16 h SER 76 N 0.39 0.00 -0.16 6.45 0.02 -0.95 -2.42 113.55 116.89 3i16 h SER 76 Ca 0.11 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 3i16 h SER 76 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3i16 h SER 76 CO -0.02 0.14 -0.64 0.25 -1.14 0.00 0.00 176.83 175.42 3i16 h LEU 77 N 0.00 0.89 -0.51 5.07 5.85 -1.01 -1.00 115.31 124.60 3i16 h LEU 77 Ca -0.00 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.21 3i16 h LEU 77 Cb 0.51 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3i16 h LEU 77 CO 0.02 1.30 0.33 0.44 -0.34 0.00 0.00 178.44 180.19 3i16 h ASP 78 N 0.57 0.57 -0.78 1.25 3.32 -1.18 -1.04 116.42 119.13 3i16 h ASP 78 Ca -0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3i16 h ASP 78 Cb 1.24 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 3i16 h ASP 78 CO 0.13 0.42 0.32 0.00 -1.72 0.00 0.00 179.24 178.39 3i16 h ALA 79 N 1.19 1.07 -0.34 3.45 0.00 -1.30 -1.45 119.26 121.88 3i16 h ALA 79 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i16 h ALA 79 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3i16 h ALA 79 CO -0.05 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.25 3i16 h VAL 80 N 1.15 1.21 -0.24 0.00 2.07 -0.75 -1.34 116.25 118.35 3i16 h VAL 80 Ca 0.26 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3i16 h VAL 80 Cb 0.21 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3i16 h VAL 80 CO -0.02 0.23 0.11 1.88 0.02 0.00 0.00 177.57 179.79 3i16 h TYR 81 N 0.39 0.21 -0.53 1.57 -1.99 -0.94 -0.46 116.97 115.23 3i16 h TYR 81 Ca 0.11 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.89 3i16 h TYR 81 Cb 0.25 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3i16 h TYR 81 CO 0.01 0.12 0.35 0.00 -0.00 0.00 0.00 178.16 178.64 3i16 h ALA 82 N 1.12 1.77 -0.22 3.88 0.00 -1.04 -0.07 119.26 124.69 3i16 h ALA 82 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3i16 h ALA 82 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3i16 h ALA 82 CO -0.07 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 179.16 3i16 h ARG 83 N 0.58 0.52 -0.65 0.00 3.08 -0.67 0.11 114.38 117.35 3i16 h ARG 83 Ca 0.22 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3i16 h ARG 83 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3i16 h ARG 83 CO -0.06 0.83 0.40 0.28 -1.07 0.00 0.00 179.97 180.35 3i16 h VAL 84 N 0.21 1.07 -0.03 2.04 2.07 -0.24 -2.43 116.25 118.94 3i16 h VAL 84 Ca 0.04 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3i16 h VAL 84 Cb 0.71 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3i16 h VAL 84 CO 0.05 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.27 3i16 n PHE 85 N -4.71 0.02 -3.70 1.57 3.72 -0.12 -4.95 117.46 109.29 3i16 n PHE 85 Ca 0.07 -0.01 -0.23 0.00 -0.05 0.00 0.00 57.45 57.23 3i16 n PHE 85 Cb 0.09 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.30 -2.59 -4.74 4.37 3.02 -0.04 -4.39 115.26 111.19 3i16 n ASN 86 Ca 0.18 -0.76 -0.24 0.00 -0.03 0.00 0.00 54.58 53.73 3i16 n ASN 86 Cb 0.38 -4.25 -0.07 0.00 -0.61 0.00 0.00 39.78 35.22 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 -3.51 2.42 0.05 3.41 -4.23 0.19 -4.88 115.64 109.10 3i16 s THR 87 Ca 0.21 -1.69 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 3i16 s THR 87 Cb -0.10 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.62 3i16 s THR 87 CO 0.80 -0.03 1.34 -0.33 -0.54 0.00 0.00 174.62 175.85 3i16 h GLU 88 N 1.44 0.48 -4.58 3.99 5.08 -1.81 -3.42 114.58 115.76 3i16 h GLU 88 Ca -0.43 -0.28 -0.26 0.00 -1.00 0.00 0.00 59.36 57.39 3i16 h GLU 88 Cb 1.25 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 3i16 h GLU 88 CO 0.68 0.87 -0.57 -1.12 -1.00 0.00 0.00 179.01 177.87 3i16 s SER 89 N -6.34 0.35 0.15 1.42 0.01 0.08 -4.82 113.70 104.55 3i16 s SER 89 Ca -0.13 -1.42 -0.16 0.00 1.31 0.00 0.00 55.95 55.55 3i16 s SER 89 Cb 0.06 0.42 0.03 0.00 0.21 0.00 0.00 66.02 66.74 3i16 s SER 89 CO 0.79 -0.89 0.43 0.00 0.41 0.00 0.00 173.24 173.97 3i16 s ALA 90 N -4.04 -0.81 -0.25 1.44 0.00 -1.26 -1.35 121.76 115.49 3i16 s ALA 90 Ca 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 3i16 s ALA 90 Cb 0.06 0.77 0.10 0.00 0.00 0.00 0.00 23.12 24.05 3i16 s ALA 90 CO 0.14 -0.70 0.19 -1.17 0.00 0.00 0.00 175.76 174.22 3i16 s LEU 91 N -2.85 0.15 -0.19 0.00 2.96 0.02 -4.82 118.68 113.94 3i16 s LEU 91 Ca 0.07 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 3i16 s LEU 91 Cb 0.01 0.07 0.02 0.00 0.50 0.00 0.00 46.19 46.78 3i16 s LEU 91 CO -0.07 -0.38 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.72 3i16 s VAL 92 N 2.23 2.31 -0.04 1.68 1.01 -1.26 -1.52 120.40 124.80 3i16 s VAL 92 Ca 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3i16 s VAL 92 Cb -0.15 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3i16 s VAL 92 CO -0.25 0.49 0.12 -0.13 0.00 0.00 0.00 175.10 175.33 3i16 s ARG 93 N 1.32 0.16 0.53 2.72 1.81 -0.75 -4.88 118.95 119.85 3i16 s ARG 93 Ca 0.05 0.12 0.34 0.00 -1.72 0.00 0.00 55.73 54.51 3i16 s ARG 93 Cb -0.14 0.08 1.49 0.00 -0.45 0.00 0.00 34.95 35.93 3i16 s ARG 93 CO -0.11 -0.02 2.01 -1.00 -0.68 0.00 0.00 175.30 175.49 3i16 h PRO 94 N 5.84 0.00 0.00 3.54 0.13 -1.86 -1.28 132.00 138.38 3i16 h PRO 94 Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3i16 h PRO 94 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3i16 h PRO 94 CO 0.43 0.00 -0.00 0.45 -0.23 0.00 0.00 178.00 178.65 3i16 h HIS 95 N 0.00 0.00 -2.92 1.56 3.86 -1.94 -3.30 115.15 112.41 3i16 h HIS 95 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 3i16 h HIS 95 Cb 0.40 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3i16 h HIS 95 CO 0.00 0.00 0.85 -0.06 0.86 0.00 0.00 177.93 179.58 3i16 s PHE 96 N -3.90 2.84 -0.14 2.45 0.08 -1.22 -4.91 117.98 113.18 3i16 s PHE 96 Ca -0.02 0.92 0.23 0.00 0.12 0.00 0.00 56.93 58.18 3i16 s PHE 96 Cb 0.11 -3.57 0.56 0.00 -0.57 0.00 0.00 43.02 39.55 3i16 s PHE 96 CO 0.48 -2.02 1.67 -0.39 -0.10 0.00 0.00 175.22 174.86 3i16 h VAL 97 N 5.24 0.38 -2.60 -0.44 -1.51 -1.89 -3.03 116.25 112.40 3i16 h VAL 97 Ca -0.33 -1.30 0.15 0.00 -1.23 0.00 0.00 66.70 63.99 3i16 h VAL 97 Cb 1.14 1.99 -0.03 0.00 -2.13 0.00 0.00 31.29 32.27 3i16 h VAL 97 CO 0.93 0.19 0.57 -0.46 -1.23 0.00 0.00 177.57 177.57 3i16 n ASN 98 N -3.21 -1.80 -0.06 4.19 0.23 -1.26 -4.75 115.26 108.60 3i16 n ASN 98 Ca 0.02 -1.97 -0.03 0.00 -0.53 0.00 0.00 54.58 52.06 3i16 n ASN 98 Cb 0.53 2.93 0.20 0.00 -2.08 0.00 0.00 39.78 41.36 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 1.99 0.73 0.99 4.83 0.00 -1.86 -2.87 103.07 106.89 3i16 h GLY 99 Ca -0.28 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.57 3i16 h GLY 99 CO 0.37 0.46 0.59 -0.84 0.00 0.00 0.00 176.54 177.12 3i16 h THR 100 N 0.63 1.22 -0.39 4.70 2.02 -1.96 -1.55 112.91 117.58 3i16 h THR 100 Ca 0.12 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3i16 h THR 100 Cb 0.46 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3i16 h THR 100 CO 0.02 0.22 0.24 -0.74 0.37 0.00 0.00 175.52 175.63 3i16 h HIS 101 N 1.20 0.45 -0.54 3.16 6.17 -1.91 0.90 115.15 124.57 3i16 h HIS 101 Ca 0.33 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.42 3i16 h HIS 101 Cb -0.12 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 29.63 3i16 h HIS 101 CO -0.01 0.27 0.34 0.00 0.71 0.00 0.00 177.93 179.24 3i16 h ALA 102 N 1.16 0.69 -0.26 5.26 0.00 -1.27 0.63 119.26 125.47 3i16 h ALA 102 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3i16 h ALA 102 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3i16 h ALA 102 CO -0.06 0.16 0.12 -0.07 0.00 0.00 0.00 179.25 179.39 3i16 h LEU 103 N 0.73 0.35 -0.70 0.00 3.38 -1.03 -1.86 115.31 116.19 3i16 h LEU 103 Ca 0.20 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3i16 h LEU 103 Cb -0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3i16 h LEU 103 CO -0.04 0.40 0.44 1.23 0.09 0.00 0.00 178.44 180.56 3i16 h GLY 104 N 0.28 1.00 1.02 0.83 0.00 -0.52 -1.29 103.07 104.40 3i16 h GLY 104 Ca 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3i16 h GLY 104 CO -0.01 0.28 0.54 0.00 0.00 0.00 0.00 176.54 177.35 3i16 h ALA 105 N 1.30 1.13 -0.18 3.60 0.00 -0.75 -0.19 119.26 124.17 3i16 h ALA 105 Ca 0.28 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3i16 h ALA 105 Cb 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3i16 h ALA 105 CO -0.11 0.59 0.06 0.00 0.00 0.00 0.00 179.25 179.80 3i16 h ALA 106 N 1.29 0.19 0.63 0.00 0.00 -0.72 0.65 119.26 121.30 3i16 h ALA 106 Ca 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3i16 h ALA 106 Cb -0.05 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i16 h ALA 106 CO -0.06 -0.37 -0.30 -0.07 0.00 0.00 0.00 179.25 178.45 3i16 h LEU 107 N 0.15 -0.71 -1.15 0.00 3.38 -0.81 -1.03 115.31 115.14 3i16 h LEU 107 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3i16 h LEU 107 Cb 0.05 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3i16 h LEU 107 CO -0.08 -0.34 0.58 -0.26 0.09 0.00 0.00 178.44 178.44 3i16 h PHE 108 N -1.14 1.06 -0.40 1.13 0.04 -1.13 0.23 116.94 116.73 3i16 h PHE 108 Ca -0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3i16 h PHE 108 Cb 0.68 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3i16 h PHE 108 CO 0.00 0.59 0.23 0.78 -0.60 0.00 0.00 178.31 179.32 3i16 h GLY 109 N 1.07 0.55 -2.09 -1.45 0.00 -0.80 -3.25 103.07 97.11 3i16 h GLY 109 Ca 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3i16 h GLY 109 CO -0.12 0.16 0.00 0.70 0.00 0.00 0.00 176.54 177.27 3i16 n ASN 110 N -4.86 3.23 -4.53 0.19 3.02 -0.40 -4.57 115.26 107.35 3i16 n ASN 110 Ca 0.01 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 3i16 n ASN 110 Cb 0.06 -0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.60 2.85 0.09 3.41 1.43 0.03 -5.00 118.68 119.88 3i16 s LEU 111 Ca 0.34 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3i16 s LEU 111 Cb 0.21 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3i16 s LEU 111 CO 0.30 0.18 -0.08 -0.13 0.23 0.00 0.00 176.35 176.85 3i16 s ARG 112 N -2.13 0.79 0.17 1.70 1.81 -1.26 -4.83 118.95 115.20 3i16 s ARG 112 Ca 0.19 -1.20 -0.33 0.00 -1.72 0.00 0.00 55.73 52.67 3i16 s ARG 112 Cb -0.11 -0.31 -0.15 0.00 -0.45 0.00 0.00 34.95 33.93 3i16 s ARG 112 CO 0.11 0.02 1.33 -2.30 -0.68 0.00 0.00 175.30 173.79 3i16 n PRO 113 N 0.34 1.56 0.00 3.54 -0.02 -1.26 -1.15 135.00 138.01 3i16 n PRO 113 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3i16 n PRO 113 Cb 0.59 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.39 3.21 3.80 -1.23 0.00 -0.14 -4.96 105.19 108.25 3i16 n GLY 114 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.05 5.36 0.00 1.61 0.02 -0.30 -4.84 114.94 116.74 3i16 s ASN 115 Ca 0.00 1.79 0.00 0.00 -1.02 0.00 0.00 52.86 53.63 3i16 s ASN 115 Cb 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.75 3i16 s ASN 115 CO 0.00 -1.45 0.00 0.41 0.02 0.00 0.00 177.10 176.08 3i16 n THR 116 N -2.63 0.00 -3.21 1.60 -1.04 -0.57 -1.14 114.28 107.29 3i16 n THR 116 Ca 0.09 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.14 3i16 n THR 116 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 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 -0.76 -0.15 -4.42 2.96 0.37 -1.89 118.68 114.79 3i16 s LEU 118 Ca 0.00 0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 54.24 3i16 s LEU 118 Cb 0.00 1.68 -0.02 0.00 0.50 0.00 0.00 46.19 48.35 3i16 s LEU 118 CO 0.00 -0.14 0.81 -0.44 -1.32 0.00 0.00 176.35 175.26 3i16 s SER 119 N 2.83 6.96 0.00 3.68 0.01 -0.71 -0.45 113.70 126.02 3i16 s SER 119 Ca 0.05 1.17 0.15 0.00 1.31 0.00 0.00 55.95 58.63 3i16 s SER 119 Cb -0.11 -2.45 0.20 0.00 0.21 0.00 0.00 66.02 63.88 3i16 s SER 119 CO -0.15 -0.35 1.09 1.33 0.41 0.00 0.00 173.24 175.56 3i16 n VAL 120 N 4.59 0.25 -2.07 3.43 0.24 -0.78 -0.80 118.33 123.20 3i16 n VAL 120 Ca 0.03 -0.63 -0.28 0.00 -2.04 0.00 0.00 64.34 61.43 3i16 n VAL 120 Cb 0.49 1.12 0.02 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.65 -0.04 3.68 0.00 0.00 -0.55 -4.68 105.19 102.96 3i16 n GLY 122 Ca 0.46 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 3i16 n GLY 122 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i16 n GLU 123 N -0.36 2.35 -1.10 1.61 2.13 -1.26 -4.85 120.64 119.17 3i16 n GLU 123 Ca 0.00 0.85 -0.30 0.00 0.66 0.00 0.00 57.16 58.37 3i16 n GLU 123 Cb 0.00 -2.67 0.14 0.00 0.27 0.00 0.00 31.44 29.18 3i16 n GLU 123 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3i16 s PRO 124 N 1.93 1.32 0.62 5.31 0.02 -1.26 -4.95 135.00 137.98 3i16 s PRO 124 Ca 0.82 1.01 -0.18 0.00 0.02 0.00 0.00 61.00 62.67 3i16 s PRO 124 Cb -0.62 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 3i16 s PRO 124 CO 0.40 -2.25 0.83 2.48 -0.33 0.00 0.00 177.00 178.13 3i16 n TYR 125 N -3.92 0.35 -0.26 6.54 4.11 -1.26 -4.85 117.16 117.87 3i16 n TYR 125 Ca 0.08 0.43 0.07 0.00 -0.00 0.00 0.00 57.90 58.47 3i16 n TYR 125 Cb 0.54 -2.07 0.19 0.00 -0.00 0.00 0.00 39.34 37.99 3i16 n TYR 125 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 3i16 h ASP 126 N 0.28 -0.19 0.21 9.48 3.32 -2.02 -2.48 116.42 125.02 3i16 h ASP 126 Ca -0.48 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3i16 h ASP 126 Cb 1.37 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 3i16 h ASP 126 CO 0.49 -0.14 -0.14 0.74 -1.72 0.00 0.00 179.24 178.47 3i16 h THR 127 N 0.16 0.89 0.00 0.35 2.02 -2.04 -2.04 112.91 112.25 3i16 h THR 127 Ca 0.44 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3i16 h THR 127 Cb 0.79 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3i16 h THR 127 CO -0.62 0.13 0.00 0.25 0.37 0.00 0.00 175.52 175.65 3i16 h LEU 128 N 0.00 0.00 -0.70 2.58 5.85 -1.78 -3.23 115.31 118.03 3i16 h LEU 128 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3i16 h LEU 128 Cb 0.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3i16 h LEU 128 CO 0.02 0.00 0.29 0.45 -0.34 0.00 0.00 178.44 178.86 3i16 h HIS 129 N 0.00 1.05 -0.11 1.25 3.86 -1.48 -1.48 115.15 118.23 3i16 h HIS 129 Ca 0.00 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.02 3i16 h HIS 129 Cb 0.46 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3i16 h HIS 129 CO 0.00 0.81 -0.46 -0.44 0.86 0.00 0.00 177.93 178.70 3i16 h ASP 130 N 0.99 0.28 -0.55 2.45 3.32 -1.74 0.14 116.42 121.31 3i16 h ASP 130 Ca 0.23 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3i16 h ASP 130 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3i16 h ASP 130 CO -0.02 0.71 0.19 0.58 -1.72 0.00 0.00 179.24 178.98 3i16 h VAL 131 N 0.22 1.23 0.18 -1.35 2.07 -1.55 -3.21 116.25 113.84 3i16 h VAL 131 Ca 0.01 -0.76 -0.31 0.00 0.82 0.00 0.00 66.70 66.47 3i16 h VAL 131 Cb 0.90 0.69 0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3i16 h VAL 131 CO 0.07 0.29 -1.42 0.40 0.02 0.00 0.00 177.57 176.92 3i16 h ILE 132 N 0.76 1.31 0.00 4.57 2.04 -1.23 -0.89 117.51 124.07 3i16 h ILE 132 Ca 0.18 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.20 3i16 h ILE 132 Cb 0.25 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3i16 h ILE 132 CO -0.01 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.60 3i16 n GLY 133 N 1.65 0.85 0.37 5.37 0.00 0.44 -1.63 105.19 112.24 3i16 n GLY 133 Ca -0.14 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.00 -0.61 2.04 -1.79 -3.39 117.51 113.76 3i16 h ILE 134 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3i16 h ILE 134 Cb 0.69 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3i16 h ILE 134 CO 0.00 0.00 -1.19 0.35 0.00 0.00 0.00 178.15 177.31 3i16 n THR 135 N -4.70 1.45 -3.94 -0.27 -2.24 -1.26 -5.02 114.28 98.30 3i16 n THR 135 Ca -0.07 0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 3i16 n THR 135 Cb 0.32 -2.19 -0.05 0.00 -2.10 0.00 0.00 70.33 66.31 3i16 n THR 135 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i16 s GLU 136 N -2.75 3.36 -0.10 -0.78 -6.30 -1.26 -5.10 118.70 105.77 3i16 s GLU 136 Ca -0.28 -0.34 -0.04 0.00 -2.50 0.00 0.00 54.97 51.82 3i16 s GLU 136 Cb 0.06 -3.06 0.05 0.00 0.00 0.00 0.00 34.13 31.18 3i16 s GLU 136 CO 0.40 0.68 0.20 -0.80 0.02 0.00 0.00 175.26 175.76 3i16 s ASN 137 N -1.81 0.53 -0.10 -1.70 0.01 -1.26 -4.51 114.94 106.10 3i16 s ASN 137 Ca 0.25 0.43 0.20 0.00 -0.71 0.00 0.00 52.86 53.04 3i16 s ASN 137 Cb -0.12 0.43 0.43 0.00 0.41 0.00 0.00 41.25 42.40 3i16 s ASN 137 CO 0.16 -0.24 1.18 -1.54 -1.51 0.00 0.00 177.10 175.16 3i16 n SER 138 N 5.24 1.43 -2.33 -1.22 3.41 -1.26 -5.15 113.62 113.74 3i16 n SER 138 Ca -0.07 -2.67 -0.01 0.00 -0.26 0.00 0.00 58.87 55.86 3i16 n SER 138 Cb 0.50 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.14 -4.54 -2.68 4.04 5.15 -1.26 -5.13 115.26 110.71 3i16 n ASN 139 Ca 0.12 1.00 -0.08 0.00 -0.60 0.00 0.00 54.58 55.01 3i16 n ASN 139 Cb 0.97 -4.06 0.06 0.00 -0.53 0.00 0.00 39.78 36.23 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 0.72 1.45 3.67 8.20 0.00 -1.26 -5.20 105.19 112.77 3i16 n GLY 141 Ca -0.10 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.46 2.23 0.20 1.61 1.04 -1.26 -4.87 113.70 110.20 3i16 s SER 142 Ca 0.25 1.00 -0.10 0.00 0.48 0.00 0.00 55.95 57.58 3i16 s SER 142 Cb 0.44 -1.55 0.24 0.00 0.10 0.00 0.00 66.02 65.25 3i16 s SER 142 CO -0.01 -3.35 1.77 -0.07 0.98 0.00 0.00 173.24 172.56 3i16 h LEU 143 N -2.05 0.33 -1.12 2.42 3.38 -1.10 -1.85 115.31 115.32 3i16 h LEU 143 Ca -0.52 0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.54 3i16 h LEU 143 Cb 1.32 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 3i16 h LEU 143 CO 0.52 0.21 0.60 0.50 0.09 0.00 0.00 178.44 180.36 3i16 h LYS 144 N 0.48 1.12 0.00 1.13 1.63 -1.22 -0.22 116.57 119.49 3i16 h LYS 144 Ca 0.29 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3i16 h LYS 144 Cb 0.28 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3i16 h LYS 144 CO -0.24 0.74 0.00 0.93 -3.45 0.00 0.00 179.45 177.43 3i16 h GLU 145 N 1.16 0.00 -0.71 1.90 5.08 -1.64 -2.02 114.58 118.35 3i16 h GLU 145 Ca 0.36 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.47 3i16 h GLU 145 Cb -0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3i16 h GLU 145 CO -0.11 0.00 0.28 1.19 -1.00 0.00 0.00 179.01 179.38 3i16 n PHE 146 N -2.45 2.30 -1.25 4.33 3.72 -0.22 -4.94 117.46 118.95 3i16 n PHE 146 Ca 0.02 -1.34 -0.09 0.00 -0.05 0.00 0.00 57.45 56.00 3i16 n PHE 146 Cb 0.26 -0.69 -0.04 0.00 -0.94 0.00 0.00 39.48 38.08 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 -0.47 1.00 3.71 1.37 0.00 -0.76 -4.00 105.19 106.05 3i16 n GLY 147 Ca 0.42 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.16 5.38 0.30 -0.61 1.01 -0.46 -0.97 121.20 123.68 3i16 s ILE 148 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.91 3i16 s ILE 148 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 3i16 s ILE 148 CO 0.00 0.40 0.48 0.20 0.00 0.00 0.00 174.94 176.02 3i16 s ASN 149 N 0.60 6.32 -0.05 3.58 0.01 -0.29 -3.02 114.94 122.09 3i16 s ASN 149 Ca 0.09 0.36 0.04 0.00 -0.71 0.00 0.00 52.86 52.65 3i16 s ASN 149 Cb -0.12 -1.99 -0.00 0.00 0.41 0.00 0.00 41.25 39.55 3i16 s ASN 149 CO 0.01 -0.20 -0.18 -0.47 -1.51 0.00 0.00 177.10 174.75 3i16 s TYR 150 N -2.16 1.78 0.15 2.20 5.04 -1.26 -4.33 117.35 118.77 3i16 s TYR 150 Ca 0.38 -0.52 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 3i16 s TYR 150 Cb -0.10 -1.20 -0.05 0.00 0.35 0.00 0.00 41.96 40.97 3i16 s TYR 150 CO 0.33 -0.18 -0.05 0.15 -1.34 0.00 0.00 175.55 174.46 3i16 s LYS 151 N 0.04 1.05 -0.09 4.97 1.02 -1.26 -5.04 119.74 120.43 3i16 s LYS 151 Ca -0.04 -1.47 -0.07 0.00 0.02 0.00 0.00 55.97 54.40 3i16 s LYS 151 Cb -0.12 -0.40 0.03 0.00 -0.52 0.00 0.00 37.83 36.82 3i16 s LYS 151 CO 0.02 -0.03 0.24 -1.14 -0.92 0.00 0.00 175.35 173.52 3i16 s GLN 152 N -3.84 0.25 -0.14 1.68 0.74 -1.26 -1.74 119.66 115.36 3i16 s GLN 152 Ca 0.19 0.39 0.02 0.00 0.05 0.00 0.00 55.36 56.01 3i16 s GLN 152 Cb 0.05 0.05 0.01 0.00 1.10 0.00 0.00 33.01 34.22 3i16 s GLN 152 CO 0.01 -0.07 -0.20 0.08 -0.55 0.00 0.00 175.29 174.56 3i16 s VAL 153 N 0.49 1.92 0.57 1.34 1.01 0.02 -4.98 120.40 120.78 3i16 s VAL 153 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 3i16 s VAL 153 Cb -0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3i16 s VAL 153 CO -0.03 0.52 1.01 -1.81 0.00 0.00 0.00 175.10 174.80 3i16 s ASP 154 N 0.97 6.33 0.82 3.32 1.01 -1.26 -1.48 116.67 126.38 3i16 s ASP 154 Ca -0.04 1.53 -0.10 0.00 0.71 0.00 0.00 52.55 54.64 3i16 s ASP 154 Cb -0.15 -2.49 0.09 0.00 1.01 0.00 0.00 42.92 41.38 3i16 s ASP 154 CO -0.04 -0.80 1.11 -0.76 0.21 0.00 0.00 175.17 174.89 3i16 s LEU 155 N -4.64 2.96 0.89 1.23 1.43 -1.26 -4.25 118.68 115.03 3i16 s LEU 155 Ca 0.58 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.50 3i16 s LEU 155 Cb -0.11 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.70 3i16 s LEU 155 CO 0.42 -2.43 1.17 -0.54 0.23 0.00 0.00 176.35 175.21 3i16 s LYS 156 N -4.81 1.32 0.33 1.70 1.02 0.53 -4.88 119.74 114.94 3i16 s LYS 156 Ca 0.63 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.81 3i16 s LYS 156 Cb -0.19 -1.87 0.70 0.00 -0.52 0.00 0.00 37.83 35.95 3i16 s LYS 156 CO 0.57 -2.04 1.89 1.05 -0.92 0.00 0.00 175.35 175.89 3i16 h GLU 157 N -1.38 0.80 0.00 1.68 4.11 -1.96 0.48 114.58 118.31 3i16 h GLU 157 Ca -0.48 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.90 3i16 h GLU 157 Cb 1.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3i16 h GLU 157 CO 0.60 0.53 0.00 -0.40 0.07 0.00 0.00 179.01 179.81 3i16 n ASP 158 N -4.54 0.00 0.00 3.06 5.68 -1.26 -4.87 116.55 114.62 3i16 n ASP 158 Ca 0.16 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 3i16 n ASP 158 Cb 0.35 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 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 0.37 0.85 3.94 6.12 0.00 0.16 -4.96 105.19 111.66 3i16 n GLY 159 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.46 3.50 0.45 1.61 -0.14 -1.26 -4.73 119.74 118.71 3i16 s LYS 160 Ca 0.00 -0.40 -0.25 0.00 -1.36 0.00 0.00 55.97 53.96 3i16 s LYS 160 Cb 0.00 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 33.25 3i16 s LYS 160 CO 0.00 0.37 1.33 -1.25 -0.76 0.00 0.00 175.35 175.04 3i16 s PRO 161 N -3.55 3.72 -1.12 -1.68 0.04 -1.26 -0.35 135.00 130.80 3i16 s PRO 161 Ca 0.38 2.20 -0.17 0.00 0.04 0.00 0.00 61.00 63.45 3i16 s PRO 161 Cb -0.11 -2.60 0.13 0.00 0.04 0.00 0.00 34.50 31.97 3i16 s PRO 161 CO 0.30 -0.71 1.39 1.21 0.04 0.00 0.00 177.00 179.23 3i16 s ASN 162 N -0.78 6.86 0.38 6.66 3.84 -1.26 -4.75 114.94 125.89 3i16 s ASN 162 Ca 0.61 -2.50 0.05 0.00 0.21 0.00 0.00 52.86 51.23 3i16 s ASN 162 Cb -0.39 -2.44 0.76 0.00 -0.55 0.00 0.00 41.25 38.63 3i16 s ASN 162 CO 0.49 -0.97 2.04 -0.07 -2.79 0.00 0.00 177.10 175.80 3i16 h LEU 163 N 10.61 0.59 -0.47 3.21 3.38 -1.96 -1.41 115.31 129.26 3i16 h LEU 163 Ca 0.28 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 3i16 h LEU 163 Cb 0.93 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3i16 h LEU 163 CO 1.25 0.42 -0.15 -0.33 0.09 0.00 0.00 178.44 179.72 3i16 h GLU 164 N 0.69 0.93 -0.16 1.13 3.07 -2.00 -2.01 114.58 116.23 3i16 h GLU 164 Ca 0.19 -0.38 -0.18 0.00 -0.50 0.00 0.00 59.36 58.49 3i16 h GLU 164 Cb -0.07 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3i16 h GLU 164 CO -0.04 1.04 -0.64 1.49 -1.40 0.00 0.00 179.01 179.46 3i16 h GLU 165 N 0.78 0.58 -0.35 2.33 4.81 -1.90 -2.12 114.58 118.70 3i16 h GLU 165 Ca 0.11 -0.41 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3i16 h GLU 165 Cb 0.72 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3i16 h GLU 165 CO 0.05 1.03 0.16 0.82 -0.73 0.00 0.00 179.01 180.34 3i16 h ILE 166 N 0.42 0.95 -0.31 2.32 2.04 -1.11 0.06 117.51 121.88 3i16 h ILE 166 Ca -0.01 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3i16 h ILE 166 Cb 1.21 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3i16 h ILE 166 CO 0.12 0.06 0.18 -0.33 0.00 0.00 0.00 178.15 178.18 3i16 h GLU 167 N 0.33 0.36 -0.22 2.37 5.08 -1.28 -1.54 114.58 119.67 3i16 h GLU 167 Ca 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3i16 h GLU 167 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3i16 h GLU 167 CO -0.13 0.24 0.11 -0.22 -1.00 0.00 0.00 179.01 178.01 3i16 h LYS 168 N 0.37 0.32 -0.63 2.33 3.64 -0.97 0.45 116.57 122.08 3i16 h LYS 168 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3i16 h LYS 168 Cb -0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3i16 h LYS 168 CO -0.06 0.34 0.42 0.28 -2.27 0.00 0.00 179.45 178.16 3i16 h VAL 169 N 0.23 1.17 -0.26 2.00 2.07 -0.86 -0.84 116.25 119.75 3i16 h VAL 169 Ca 0.08 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3i16 h VAL 169 Cb 0.12 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3i16 h VAL 169 CO -0.01 0.16 0.05 -0.07 0.02 0.00 0.00 177.57 177.72 3i16 h LEU 170 N 0.86 0.41 -1.28 2.57 3.38 -1.13 -2.29 115.31 117.84 3i16 h LEU 170 Ca 0.23 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3i16 h LEU 170 Cb -0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3i16 h LEU 170 CO -0.05 0.56 0.50 0.11 0.09 0.00 0.00 178.44 179.64 3i16 h LYS 171 N 0.25 0.95 0.00 1.13 1.57 -0.65 -2.77 116.57 117.05 3i16 h LYS 171 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3i16 h LYS 171 Cb 0.31 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3i16 h LYS 171 CO 0.00 0.63 -0.12 0.39 -0.57 0.00 0.00 179.45 179.78 3i16 n GLU 172 N -4.43 0.19 -3.67 3.15 1.02 -0.34 -4.59 120.64 111.97 3i16 n GLU 172 Ca 0.09 0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 3i16 n GLU 172 Cb 0.07 -1.70 -0.15 0.00 -0.02 0.00 0.00 31.44 29.64 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 -4.04 3.85 0.00 1.62 -1.08 -0.88 -4.97 116.67 111.16 3i16 s ASP 173 Ca 0.11 -1.57 0.23 0.00 -0.52 0.00 0.00 52.55 50.80 3i16 s ASP 173 Cb 0.14 -0.70 1.00 0.00 -1.46 0.00 0.00 42.92 41.91 3i16 s ASP 173 CO 0.61 -0.42 1.74 -0.62 0.52 0.00 0.00 175.17 177.00 3i16 n GLU 174 N 4.92 0.02 0.10 4.34 1.02 -1.26 -2.87 120.64 126.91 3i16 n GLU 174 Ca -0.03 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3i16 n GLU 174 Cb 0.42 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.79 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 -1.49 0.63 -4.61 1.62 3.41 -1.26 -4.73 113.62 107.19 3i16 n SER 175 Ca 0.06 0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 58.84 3i16 n SER 175 Cb 0.27 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.18 3.73 -0.79 -1.33 1.01 -1.14 -1.51 121.20 118.00 3i16 s ILE 176 Ca 0.08 0.78 0.10 0.00 0.00 0.00 0.00 60.65 61.60 3i16 s ILE 176 Cb 0.11 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3i16 s ILE 176 CO 0.48 -0.48 0.57 0.35 0.00 0.00 0.00 174.94 175.86 3i16 n THR 177 N 6.90 0.00 -3.76 2.92 -2.24 -0.79 -4.90 114.28 112.42 3i16 n THR 177 Ca 0.19 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 3i16 n THR 177 Cb 0.47 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.82 0.70 -0.13 3.22 0.20 -1.23 -1.15 118.68 118.47 3i16 s LEU 178 Ca 0.07 0.54 -0.00 0.00 0.69 0.00 0.00 54.13 55.43 3i16 s LEU 178 Cb 0.08 0.84 -0.02 0.00 -0.43 0.00 0.00 46.19 46.66 3i16 s LEU 178 CO 0.28 -0.13 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.40 3i16 s VAL 179 N 0.69 3.11 -0.16 1.68 1.01 0.26 -0.48 120.40 126.51 3i16 s VAL 179 Ca -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3i16 s VAL 179 Cb -0.06 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3i16 s VAL 179 CO -0.04 0.53 -0.08 -2.28 0.00 0.00 0.00 175.10 173.22 3i16 s HIS 180 N 0.29 2.91 -0.19 5.22 2.46 0.40 -0.67 115.29 125.70 3i16 s HIS 180 Ca -0.09 -0.64 0.01 0.00 0.47 0.00 0.00 55.06 54.81 3i16 s HIS 180 Cb -0.16 -1.95 0.04 0.00 -0.13 0.00 0.00 32.58 30.39 3i16 s HIS 180 CO 0.05 -0.26 -0.12 0.42 -2.47 0.00 0.00 174.74 172.36 3i16 s ILE 181 N 0.67 1.72 -0.20 0.89 1.01 0.26 -1.87 121.20 123.68 3i16 s ILE 181 Ca -0.04 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 3i16 s ILE 181 Cb -0.15 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3i16 s ILE 181 CO 0.02 0.25 0.59 -1.58 0.00 0.00 0.00 174.94 174.23 3i16 s GLN 182 N 1.38 4.19 -0.03 2.79 0.74 -1.26 -1.13 119.66 126.34 3i16 s GLN 182 Ca 0.00 0.53 -0.21 0.00 0.05 0.00 0.00 55.36 55.73 3i16 s GLN 182 Cb -0.15 -3.58 -0.26 0.00 1.10 0.00 0.00 33.01 30.12 3i16 s GLN 182 CO -0.09 -0.23 1.01 -0.09 -0.55 0.00 0.00 175.29 175.35 3i16 h ARG 183 N 7.53 0.32 -7.11 1.67 2.43 -1.75 -3.44 114.38 114.03 3i16 h ARG 183 Ca -0.32 -0.41 -0.46 0.00 -0.81 0.00 0.00 59.98 57.99 3i16 h ARG 183 Cb 1.15 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3i16 h ARG 183 CO 0.76 1.11 0.34 0.45 -1.51 0.00 0.00 179.97 181.13 3i16 s SER 184 N -6.73 6.77 0.25 -3.80 0.15 -1.26 -2.37 113.70 106.71 3i16 s SER 184 Ca -0.14 1.60 0.04 0.00 0.70 0.00 0.00 55.95 58.15 3i16 s SER 184 Cb 0.02 -2.51 0.30 0.00 -1.71 0.00 0.00 66.02 62.12 3i16 s SER 184 CO 0.81 -0.47 1.60 0.71 1.20 0.00 0.00 173.24 177.09 3i16 h THR 185 N 1.40 1.35 0.00 6.45 1.35 -1.89 -3.47 112.91 118.10 3i16 h THR 185 Ca -0.48 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 3i16 h THR 185 Cb 1.18 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3i16 h THR 185 CO 0.61 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 177.03 3i16 n GLY 186 N 0.09 1.29 2.06 5.82 0.00 -1.26 -2.84 105.19 110.37 3i16 n GLY 186 Ca -0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 12.49 2.67 -3.54 1.61 0.53 -1.26 -4.96 117.16 124.70 3i16 n TYR 187 Ca 0.00 -1.50 -0.37 0.00 -1.02 0.00 0.00 57.90 55.02 3i16 n TYR 187 Cb 0.00 -0.79 -0.08 0.00 -1.03 0.00 0.00 39.34 37.44 3i16 n TYR 187 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3i16 s GLY 188 N -1.22 2.13 -1.31 2.72 0.00 -1.13 -4.99 107.32 103.52 3i16 s GLY 188 Ca 0.56 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 3i16 s GLY 188 CO 0.12 0.49 1.79 1.87 0.00 0.00 0.00 173.10 177.38 3i16 n TRP 189 N 3.90 4.52 -3.80 1.90 -0.00 -1.26 -4.77 117.44 117.92 3i16 n TRP 189 Ca -0.12 -2.84 -0.04 0.00 -0.00 0.00 0.00 57.50 54.50 3i16 n TRP 189 Cb 0.52 -2.63 -0.00 0.00 -0.00 0.00 0.00 31.31 29.19 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 4.15 1.43 0.34 5.87 1.70 -1.26 -5.12 118.95 126.05 3i16 s ARG 190 Ca 0.53 -0.83 -0.24 0.00 -0.47 0.00 0.00 55.73 54.72 3i16 s ARG 190 Cb 0.05 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.79 3i16 s ARG 190 CO 0.06 -0.66 0.93 -0.98 -1.08 0.00 0.00 175.30 173.57 3i16 s ARG 191 N -3.08 4.47 1.00 3.89 1.70 -1.26 -4.85 118.95 120.82 3i16 s ARG 191 Ca 0.14 1.24 -0.11 0.00 -0.47 0.00 0.00 55.73 56.52 3i16 s ARG 191 Cb -0.03 -2.66 0.19 0.00 -0.57 0.00 0.00 34.95 31.88 3i16 s ARG 191 CO 0.05 0.22 1.09 0.00 -1.08 0.00 0.00 175.30 175.57 3i16 s ALA 192 N -1.74 0.78 0.09 7.88 0.00 -1.26 -4.83 121.76 122.68 3i16 s ALA 192 Ca 0.52 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.40 3i16 s ALA 192 Cb -0.16 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3i16 s ALA 192 CO 0.21 -3.06 0.83 -0.51 0.00 0.00 0.00 175.76 173.24 3i16 s LEU 193 N -6.74 4.49 0.59 0.00 1.43 -1.00 -4.78 118.68 112.68 3i16 s LEU 193 Ca 0.66 1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 55.26 3i16 s LEU 193 Cb -0.22 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3i16 s LEU 193 CO 0.60 0.02 0.98 -0.76 0.23 0.00 0.00 176.35 177.43 3i16 s LEU 194 N -0.23 3.33 0.34 1.79 1.43 -1.26 -4.67 118.68 119.40 3i16 s LEU 194 Ca 0.41 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.93 3i16 s LEU 194 Cb -0.22 -4.37 0.78 0.00 0.03 0.00 0.00 46.19 42.41 3i16 s LEU 194 CO 0.26 -0.80 1.84 0.40 0.23 0.00 0.00 176.35 178.28 3i16 h ILE 195 N -0.14 0.81 -0.20 -0.59 1.08 -1.95 0.94 117.51 117.46 3i16 h ILE 195 Ca -0.45 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 63.72 3i16 h ILE 195 Cb 1.19 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 3i16 h ILE 195 CO 0.62 0.13 -0.11 1.05 -0.69 0.00 0.00 178.15 179.15 3i16 h GLU 196 N 0.74 0.31 -0.34 2.37 4.11 -1.99 -1.44 114.58 118.34 3i16 h GLU 196 Ca 0.49 -0.07 -0.16 0.00 0.07 0.00 0.00 59.36 59.69 3i16 h GLU 196 Cb 0.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3i16 h GLU 196 CO -0.25 0.44 -0.42 -0.44 0.07 0.00 0.00 179.01 178.41 3i16 h ASP 197 N 0.30 0.92 -0.69 3.06 3.32 -1.20 -1.99 116.42 120.14 3i16 h ASP 197 Ca 0.06 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 3i16 h ASP 197 Cb 0.39 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3i16 h ASP 197 CO 0.02 1.21 0.24 0.40 -1.72 0.00 0.00 179.24 179.39 3i16 h ILE 198 N 0.69 1.25 -0.16 0.35 2.04 -0.97 -2.05 117.51 118.66 3i16 h ILE 198 Ca 0.05 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3i16 h ILE 198 Cb 1.00 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3i16 h ILE 198 CO 0.10 0.32 0.11 0.50 0.00 0.00 0.00 178.15 179.18 3i16 h LYS 199 N 0.99 0.22 -0.96 2.37 3.64 -1.16 -0.96 116.57 120.71 3i16 h LYS 199 Ca 0.22 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 3i16 h LYS 199 Cb 0.26 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 3i16 h LYS 199 CO -0.01 0.16 0.61 0.66 -2.27 0.00 0.00 179.45 178.60 3i16 h SER 200 N 0.21 0.95 0.25 4.20 4.64 -1.10 -0.19 113.55 122.51 3i16 h SER 200 Ca 0.06 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3i16 h SER 200 Cb -0.01 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3i16 h SER 200 CO -0.01 0.58 -0.12 0.40 -0.87 0.00 0.00 176.83 176.81 3i16 h ILE 201 N 1.07 0.80 -0.48 0.95 2.04 -0.78 -1.56 117.51 119.55 3i16 h ILE 201 Ca 0.43 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3i16 h ILE 201 Cb 0.26 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3i16 h ILE 201 CO -0.20 0.07 0.24 0.58 0.00 0.00 0.00 178.15 178.84 3i16 h VAL 202 N -0.50 0.96 -0.87 1.67 2.07 -0.88 0.10 116.25 118.80 3i16 h VAL 202 Ca -0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3i16 h VAL 202 Cb 0.38 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3i16 h VAL 202 CO 0.06 0.09 0.52 0.44 0.02 0.00 0.00 177.57 178.69 3i16 h ASP 203 N 0.48 1.06 -0.02 0.57 3.32 -1.02 0.12 116.42 120.91 3i16 h ASP 203 Ca 0.21 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i16 h ASP 203 Cb 0.11 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3i16 h ASP 203 CO -0.15 0.82 0.01 0.00 -1.72 0.00 0.00 179.24 178.21 3i16 h VAL 205 N -0.12 1.08 0.00 0.00 2.07 -0.58 -2.83 116.25 115.87 3i16 h VAL 205 Ca 0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3i16 h VAL 205 Cb 0.17 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3i16 h VAL 205 CO -0.00 0.06 -0.18 0.11 0.02 0.00 0.00 177.57 177.58 3i16 h LYS 206 N -0.05 0.00 0.00 1.57 1.79 -0.78 -1.15 116.57 117.95 3i16 h LYS 206 Ca 0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3i16 h LYS 206 Cb 0.09 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3i16 h LYS 206 CO -0.00 0.18 -0.04 -0.97 -1.08 0.00 0.00 179.45 177.55 3i16 h ASN 207 N 0.00 0.00 0.00 0.86 -1.24 -0.99 -2.91 115.58 111.30 3i16 h ASN 207 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 3i16 h ASN 207 Cb 0.36 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3i16 h ASN 207 CO 0.02 0.04 -0.72 0.40 -1.29 0.00 0.00 177.43 175.88 3i16 h ILE 208 N 0.00 0.76 -2.80 2.57 1.08 -1.16 -3.47 117.51 114.49 3i16 h ILE 208 Ca -0.00 -1.80 -0.32 0.00 -0.39 0.00 0.00 64.86 62.35 3i16 h ILE 208 Cb 0.51 1.66 -0.36 0.00 -3.07 0.00 0.00 36.82 35.56 3i16 h ILE 208 CO 0.00 0.26 -0.64 -0.13 -0.69 0.00 0.00 178.15 176.95 3i16 s ARG 209 N -2.22 0.12 0.56 2.37 0.52 -0.89 -5.04 118.95 114.37 3i16 s ARG 209 Ca -0.21 0.33 0.26 0.00 -0.52 0.00 0.00 55.73 55.60 3i16 s ARG 209 Cb 0.03 -0.87 1.62 0.00 0.52 0.00 0.00 34.95 36.25 3i16 s ARG 209 CO 0.46 -0.51 2.19 1.57 0.02 0.00 0.00 175.30 179.03 3i16 h LYS 210 N 8.34 0.00 0.00 3.54 5.09 -1.76 -2.54 116.57 129.24 3i16 h LYS 210 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.59 3i16 h LYS 210 Cb 1.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.47 3i16 h LYS 210 CO 0.22 0.03 0.00 -0.40 -2.09 0.00 0.00 179.45 177.21 3i16 n ASP 211 N -3.97 0.00 -4.71 7.07 5.75 -1.26 -4.83 116.55 114.59 3i16 n ASP 211 Ca -0.03 0.02 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 3i16 n ASP 211 Cb 0.12 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 3i16 n ASP 211 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3i16 s ILE 212 N -2.68 3.09 -0.07 2.12 1.01 -0.96 -4.96 121.20 118.76 3i16 s ILE 212 Ca 0.24 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.35 3i16 s ILE 212 Cb 0.19 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 3i16 s ILE 212 CO 0.47 0.05 1.08 -0.63 0.00 0.00 0.00 174.94 175.90 3i16 s ILE 213 N 1.29 4.58 -0.44 2.92 -1.09 -0.30 -4.91 121.20 123.25 3i16 s ILE 213 Ca 0.67 1.87 -0.13 0.00 -2.23 0.00 0.00 60.65 60.82 3i16 s ILE 213 Cb -0.39 -4.20 0.06 0.00 -1.58 0.00 0.00 42.46 36.35 3i16 s ILE 213 CO 0.30 0.03 0.33 0.00 -1.23 0.00 0.00 174.94 174.37 3i16 s PHE 215 N 1.58 3.20 -0.15 0.00 5.36 0.15 -1.08 117.98 127.03 3i16 s PHE 215 Ca 0.04 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 3i16 s PHE 215 Cb -0.23 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 3i16 s PHE 215 CO 0.06 0.04 -0.18 0.08 -1.46 0.00 0.00 175.22 173.76 3i16 s VAL 216 N 0.62 2.42 -0.53 3.12 1.01 -0.14 -0.57 120.40 126.32 3i16 s VAL 216 Ca 0.03 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 3i16 s VAL 216 Cb -0.13 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3i16 s VAL 216 CO 0.02 0.53 1.31 -0.62 0.00 0.00 0.00 175.10 176.33 3i16 s ASP 217 N 0.87 6.32 0.00 3.32 2.15 -0.28 -2.08 116.67 126.97 3i16 s ASP 217 Ca -0.05 0.34 0.27 0.00 0.43 0.00 0.00 52.55 53.54 3i16 s ASP 217 Cb -0.15 -2.55 0.90 0.00 -0.30 0.00 0.00 42.92 40.82 3i16 s ASP 217 CO -0.02 -1.54 1.66 -3.20 -0.17 0.00 0.00 175.17 171.90 3i16 n ASN 218 N 8.89 1.76 -4.55 -0.34 5.15 0.29 -2.06 115.26 124.40 3i16 n ASN 218 Ca 0.12 -1.58 -0.51 0.00 -0.60 0.00 0.00 54.58 52.00 3i16 n ASN 218 Cb 0.49 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.69 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 1.58 0.00 0.86 0.00 4.01 -1.26 -4.34 117.16 118.01 3i16 n TYR 220 Ca 0.17 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.00 3i16 n TYR 220 Cb 0.21 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.11 3.71 2.72 0.00 -0.55 -3.08 105.19 106.09 3i16 n GLY 221 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.12 4.21 -0.22 1.61 8.01 -1.25 -4.56 118.70 124.38 3i16 s GLU 222 Ca 0.17 2.36 -0.08 0.00 0.01 0.00 0.00 54.97 57.44 3i16 s GLU 222 Cb 0.16 -3.26 0.01 0.00 -4.31 0.00 0.00 34.13 26.73 3i16 s GLU 222 CO 0.45 -0.64 0.29 1.19 0.01 0.00 0.00 175.26 176.56 3i16 n PHE 223 N 4.37 -1.83 -0.50 1.61 3.72 -1.26 -4.87 117.46 118.70 3i16 n PHE 223 Ca 0.14 0.74 -0.19 0.00 -0.05 0.00 0.00 57.45 58.10 3i16 n PHE 223 Cb 0.39 -2.84 0.01 0.00 -0.94 0.00 0.00 39.48 36.10 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 -1.49 0.08 4.37 -0.08 -1.26 -4.87 116.55 112.96 3i16 n ASP 225 Ca 0.06 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.46 3i16 n ASP 225 Cb 0.22 -0.25 0.46 0.00 2.34 0.00 0.00 41.12 43.89 3i16 n ASP 225 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3i16 n THR 226 N -1.75 0.56 -4.23 5.18 -2.24 -1.26 -4.76 114.28 105.78 3i16 n THR 226 Ca -0.01 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 3i16 n THR 226 Cb 0.37 -0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 3i16 n THR 226 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i16 s LYS 227 N -3.12 2.19 0.41 -0.78 1.02 -1.26 -4.97 119.74 113.23 3i16 s LYS 227 Ca 0.10 -1.07 0.07 0.00 0.02 0.00 0.00 55.97 55.09 3i16 s LYS 227 Cb 0.13 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 3i16 s LYS 227 CO 0.51 0.49 0.18 -1.21 -0.92 0.00 0.00 175.35 174.40 3i16 s GLU 228 N -2.47 2.23 0.55 1.68 0.41 -1.26 -4.90 118.70 114.94 3i16 s GLU 228 Ca 0.23 -1.83 0.23 0.00 -0.41 0.00 0.00 54.97 53.20 3i16 s GLU 228 Cb -0.10 -1.99 1.52 0.00 -1.78 0.00 0.00 34.13 31.77 3i16 s GLU 228 CO 0.15 -0.10 2.19 -1.35 -0.49 0.00 0.00 175.26 175.65 3i16 h PRO 229 N 1.44 0.00 0.00 0.39 0.11 -1.96 -0.46 132.00 131.51 3i16 h PRO 229 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.70 0.02 0.00 1.79 -0.21 0.00 0.00 178.00 180.29 3i16 h THR 230 N 0.00 0.00 -0.00 -1.15 1.35 -1.83 -2.12 112.91 109.16 3i16 h THR 230 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3i16 h THR 230 Cb 0.04 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3i16 h THR 230 CO 0.00 0.00 -0.14 0.47 -0.25 0.00 0.00 175.52 175.60 3i16 n ASP 231 N -2.50 0.33 -1.43 5.36 8.00 -0.18 -3.93 116.55 122.21 3i16 n ASP 231 Ca 0.01 -0.24 -0.01 0.00 0.71 0.00 0.00 54.79 55.26 3i16 n ASP 231 Cb 0.21 -0.13 0.10 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.20 1.52 0.00 2.53 0.24 -0.85 -4.99 118.33 115.58 3i16 n VAL 232 Ca 0.11 -2.75 0.00 0.00 -2.04 0.00 0.00 64.34 59.66 3i16 n VAL 232 Cb 0.30 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.51 0.26 3.72 7.63 0.00 -1.20 -4.51 105.19 110.58 3i16 n GLY 233 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i16 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i16 n ALA 234 N -1.72 2.84 0.15 4.61 0.00 -0.87 -4.87 120.51 120.66 3i16 n ALA 234 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.88 3i16 n ALA 234 Cb 0.00 -2.52 0.05 0.00 0.00 0.00 0.00 19.45 16.97 3i16 n ALA 234 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i16 h ASP 235 N 6.69 0.00 -3.71 0.00 3.32 -1.45 -3.41 116.42 117.86 3i16 h ASP 235 Ca -0.43 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3i16 h ASP 235 Cb 1.20 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.54 3i16 h ASP 235 CO 0.95 0.41 0.05 -0.22 -1.72 0.00 0.00 179.24 178.71 3i16 s LEU 236 N -6.40 -0.65 0.14 1.55 2.96 -1.12 -1.17 118.68 113.99 3i16 s LEU 236 Ca 0.04 1.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.39 3i16 s LEU 236 Cb 0.07 2.29 -0.04 0.00 0.50 0.00 0.00 46.19 49.01 3i16 s LEU 236 CO 0.73 -0.23 -0.12 0.27 -1.32 0.00 0.00 176.35 175.68 3i16 s ILE 237 N 0.72 1.26 0.03 6.68 -4.36 -0.29 -0.97 121.20 124.27 3i16 s ILE 237 Ca -0.03 -1.92 -0.00 0.00 -0.26 0.00 0.00 60.65 58.44 3i16 s ILE 237 Cb -0.05 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 3i16 s ILE 237 CO -0.05 -0.60 -0.03 0.00 0.24 0.00 0.00 174.94 174.50 3i16 s ALA 238 N -2.80 0.30 0.27 2.27 0.00 -0.88 -2.26 121.76 118.66 3i16 s ALA 238 Ca 0.14 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 3i16 s ALA 238 Cb -0.01 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.39 3i16 s ALA 238 CO 0.02 -0.26 0.95 0.20 0.00 0.00 0.00 175.76 176.67 3i16 s GLY 239 N -2.13 0.26 -0.02 0.00 0.00 -0.63 -0.54 107.32 104.26 3i16 s GLY 239 Ca -0.05 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.14 3i16 s GLY 239 CO -0.05 1.56 -0.11 -0.45 0.00 0.00 0.00 173.10 174.04 3i16 s SER 240 N -3.32 4.26 0.00 1.64 0.15 -1.26 -1.82 113.70 113.35 3i16 s SER 240 Ca 0.20 -0.19 0.30 0.00 0.70 0.00 0.00 55.95 56.96 3i16 s SER 240 Cb -0.04 -0.93 1.44 0.00 -1.71 0.00 0.00 66.02 64.79 3i16 s SER 240 CO 0.08 0.31 2.01 0.18 1.20 0.00 0.00 173.24 177.02 3i16 n LEU 241 N 1.94 0.07 -1.36 3.45 4.77 -0.52 -2.83 117.00 122.51 3i16 n LEU 241 Ca -0.17 0.27 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 3i16 n LEU 241 Cb 0.52 -0.29 0.32 0.00 -2.33 0.00 0.00 43.42 41.64 3i16 n LEU 241 CO 0.27 0.01 0.78 2.30 -1.33 0.00 0.00 177.39 179.42 3i16 n ILE 242 N -1.27 1.25 -1.22 -0.08 -5.35 -1.26 -3.00 119.36 108.43 3i16 n ILE 242 Ca 0.13 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 3i16 n ILE 242 Cb 0.26 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 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 1.39 3.94 -0.22 6.28 5.02 -1.13 -1.94 118.16 131.51 3i16 n LYS 243 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3i16 n LYS 243 Cb 0.69 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.78 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 -0.50 0.82 4.39 4.21 -1.90 -2.97 115.58 119.64 3i16 h ASN 244 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 3i16 h ASN 244 Cb 0.00 0.36 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 3i16 h ASN 244 CO 0.00 -0.19 0.00 -0.29 -1.29 0.00 0.00 177.43 175.66 3i16 h ILE 245 N 0.03 0.00 -0.00 2.81 2.10 -1.86 -1.76 117.51 118.83 3i16 h ILE 245 Ca 0.32 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.97 3i16 h ILE 245 Cb 0.51 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3i16 h ILE 245 CO -0.63 0.00 -0.01 0.61 -1.08 0.00 0.00 178.15 177.04 3i16 n GLY 246 N 0.08 -0.87 2.27 8.18 0.00 -1.12 -3.36 105.19 110.38 3i16 n GLY 246 Ca 0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 1.07 0.60 2.99 -0.02 0.00 -0.66 -1.17 105.19 107.99 3i16 n GLY 247 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.54 1.23 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.82 3i16 n GLY 248 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 0.00 -2.06 -0.61 -5.35 -0.32 -4.86 119.36 104.17 3i16 n ILE 249 Ca 0.00 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 3i16 n ILE 249 Cb 0.00 0.52 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 3i16 n ILE 249 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i16 s ALA 250 N -1.31 3.67 -0.57 -1.28 0.00 -0.82 -4.90 121.76 116.56 3i16 s ALA 250 Ca 0.00 1.25 0.24 0.00 0.00 0.00 0.00 51.96 53.45 3i16 s ALA 250 Cb 0.00 -3.57 0.43 0.00 0.00 0.00 0.00 23.12 19.98 3i16 s ALA 250 CO 0.00 -0.69 1.47 -1.00 0.00 0.00 0.00 175.76 175.54 3i16 h PRO 251 N 6.56 0.00 0.00 0.00 0.13 -1.90 -3.42 132.00 133.38 3i16 h PRO 251 Ca -0.43 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.91 3i16 h PRO 251 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3i16 h PRO 251 CO 0.87 0.00 0.61 -2.37 -0.23 0.00 0.00 178.00 176.88 3i16 n THR 252 N -2.44 0.00 0.00 1.56 5.66 -1.26 -4.85 114.28 112.95 3i16 n THR 252 Ca 0.04 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 3i16 n THR 252 Cb 0.47 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.77 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 -0.66 -2.51 3.74 1.09 0.00 -1.14 -4.68 105.19 101.03 3i16 n GLY 253 Ca 0.01 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 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 0.37 0.05 -0.02 0.00 -0.48 -1.44 107.32 105.79 3i16 s GLY 254 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 3i16 s GLY 254 CO 0.00 -0.39 0.04 -2.52 0.00 0.00 0.00 173.10 170.24 3i16 s TYR 255 N -3.41 0.33 0.02 1.90 1.13 -0.76 -1.81 117.35 114.77 3i16 s TYR 255 Ca 0.17 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 55.09 3i16 s TYR 255 Cb -0.04 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.57 3i16 s TYR 255 CO 0.10 -0.38 -0.06 -0.51 -2.51 0.00 0.00 175.55 172.19 3i16 s LEU 256 N -2.50 2.18 -0.01 -3.49 1.02 -0.58 -1.61 118.68 113.70 3i16 s LEU 256 Ca 0.00 -0.40 0.01 0.00 0.02 0.00 0.00 54.13 53.76 3i16 s LEU 256 Cb 0.03 -0.12 0.00 0.00 0.02 0.00 0.00 46.19 46.12 3i16 s LEU 256 CO -0.07 -0.15 -0.03 0.00 0.02 0.00 0.00 176.35 176.11 3i16 s ALA 257 N -1.03 0.29 0.00 4.21 0.00 -0.96 -0.80 121.76 123.48 3i16 s ALA 257 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3i16 s ALA 257 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3i16 s ALA 257 CO -0.00 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3i16 n GLY 258 N 3.20 -0.55 3.75 0.00 0.00 -0.45 -1.13 105.19 110.00 3i16 n GLY 258 Ca -0.15 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.23 2.55 0.25 2.61 -4.23 -0.32 -0.74 115.64 112.53 3i16 s THR 259 Ca 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3i16 s THR 259 Cb 0.00 -3.04 0.24 0.00 1.34 0.00 0.00 72.50 71.04 3i16 s THR 259 CO 0.00 -0.10 1.83 0.50 -0.54 0.00 0.00 174.62 176.31 3i16 h LYS 260 N 0.52 0.89 -0.34 3.99 3.64 -1.91 -1.78 116.57 121.58 3i16 h LYS 260 Ca -0.50 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 3i16 h LYS 260 Cb 1.30 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3i16 h LYS 260 CO 0.54 0.59 0.17 0.22 -2.27 0.00 0.00 179.45 178.69 3i16 h ASP 261 N 0.91 0.44 -0.44 4.20 3.58 -1.98 -0.41 116.42 122.72 3i16 h ASP 261 Ca 0.42 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 3i16 h ASP 261 Cb 0.33 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 3i16 h ASP 261 CO -0.23 0.43 0.02 0.00 -2.88 0.00 0.00 179.24 176.58 3i16 h ILE 263 N 0.78 1.33 -0.59 0.00 1.08 -1.19 -1.56 117.51 117.37 3i16 h ILE 263 Ca 0.15 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.21 3i16 h ILE 263 Cb 0.44 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 3i16 h ILE 263 CO 0.02 0.42 0.29 -0.33 -0.69 0.00 0.00 178.15 177.86 3i16 h GLU 264 N 0.15 0.84 -0.84 2.37 5.08 -0.97 0.13 114.58 121.35 3i16 h GLU 264 Ca 0.03 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3i16 h GLU 264 Cb 0.76 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 3i16 h GLU 264 CO 0.05 0.68 0.47 0.87 -1.00 0.00 0.00 179.01 180.08 3i16 h LYS 265 N 0.80 1.16 -0.43 2.33 1.57 -1.26 -2.10 116.57 118.63 3i16 h LYS 265 Ca 0.20 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3i16 h LYS 265 Cb 0.11 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3i16 h LYS 265 CO -0.03 0.84 0.24 1.15 -0.57 0.00 0.00 179.45 181.08 3i16 h THR 266 N 1.16 1.16 -0.53 -0.16 2.02 -0.94 -2.89 112.91 112.73 3i16 h THR 266 Ca 0.30 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3i16 h THR 266 Cb 0.01 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3i16 h THR 266 CO -0.05 0.16 0.36 0.77 0.37 0.00 0.00 175.52 177.13 3i16 h SER 267 N 0.56 0.38 1.08 4.18 4.64 -0.33 -0.17 113.55 123.88 3i16 h SER 267 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3i16 h SER 267 Cb 0.05 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3i16 h SER 267 CO -0.02 0.24 0.00 1.88 -0.87 0.00 0.00 176.83 178.06 3i16 h TYR 268 N 0.43 0.00 0.13 4.77 0.05 -1.20 -1.94 116.97 119.21 3i16 h TYR 268 Ca 0.24 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.68 3i16 h TYR 268 Cb 0.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 3i16 h TYR 268 CO -0.00 0.00 -1.74 -0.09 -1.05 0.00 0.00 178.16 175.28 3i16 h ARG 269 N 0.00 0.28 -0.33 4.88 9.65 -1.09 -2.90 114.38 124.87 3i16 h ARG 269 Ca 0.00 -0.48 0.06 0.00 -1.10 0.00 0.00 59.98 58.46 3i16 h ARG 269 Cb 0.54 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.25 3i16 h ARG 269 CO 0.00 1.15 0.02 1.25 2.80 0.00 0.00 179.97 185.19 3i16 h LEU 270 N 0.08 -0.08 0.00 3.80 5.85 -1.06 -3.43 115.31 120.47 3i16 h LEU 270 Ca -0.33 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3i16 h LEU 270 Cb 2.05 0.11 0.00 0.00 0.37 0.00 0.00 40.66 43.19 3i16 h LEU 270 CO 0.14 -0.01 0.00 0.35 -0.34 0.00 0.00 178.44 178.59 3i16 n THR 271 N -5.14 0.00 -3.71 1.05 -2.24 -0.75 -5.11 114.28 98.38 3i16 n THR 271 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 3i16 n THR 271 Cb 0.16 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.04 0.08 0.30 2.28 -7.23 -1.10 -4.92 120.40 111.86 3i16 s VAL 272 Ca 0.00 -0.67 -0.28 0.00 -1.81 0.00 0.00 61.98 59.22 3i16 s VAL 272 Cb 0.00 -1.08 -0.14 0.00 0.56 0.00 0.00 36.38 35.72 3i16 s VAL 272 CO 0.00 -0.37 1.03 -2.65 -0.31 0.00 0.00 175.10 172.80 3i16 n PRO 273 N 0.20 1.41 0.00 4.82 -0.02 -1.21 -1.75 135.00 138.45 3i16 n PRO 273 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3i16 n PRO 273 Cb 0.61 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.18 2.73 0.75 -1.23 0.00 -1.26 -4.77 105.19 102.59 3i16 n GLY 274 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.82 -0.61 2.08 -0.71 -5.05 119.36 113.49 3i16 n ILE 275 Ca 0.00 0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.59 3i16 n ILE 275 Cb 0.00 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.08 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 2.83 3.52 0.69 7.39 0.00 -0.93 -2.28 105.19 116.40 3i16 n GLY 276 Ca -0.06 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.68 0.16 -0.02 0.00 -1.26 -4.32 105.19 100.43 3i16 n GLY 277 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i16 n GLY 277 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i16 h GLU 278 N 2.45 0.02 -6.46 1.61 4.11 -1.87 -3.43 114.58 111.01 3i16 h GLU 278 Ca 0.00 -0.01 -0.64 0.00 0.07 0.00 0.00 59.36 58.78 3i16 h GLU 278 Cb 0.55 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 3i16 h GLU 278 CO 0.00 0.50 -0.71 0.00 0.07 0.00 0.00 179.01 178.88 3i16 n GLY 280 N 0.37 1.82 3.81 0.00 0.00 0.61 -4.97 105.19 106.83 3i16 n GLY 280 Ca -0.12 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 5.06 -0.17 1.61 1.04 -1.24 -4.72 113.70 115.27 3i16 s SER 281 Ca 0.00 1.51 0.17 0.00 0.48 0.00 0.00 55.95 58.11 3i16 s SER 281 Cb 0.00 -2.34 0.43 0.00 0.10 0.00 0.00 66.02 64.21 3i16 s SER 281 CO 0.00 -1.63 1.31 0.35 0.98 0.00 0.00 173.24 174.25 3i16 n THR 282 N -3.24 2.16 -1.89 2.02 -2.24 -1.26 -4.98 114.28 104.85 3i16 n THR 282 Ca 0.07 -2.19 -0.09 0.00 -2.27 0.00 0.00 64.05 59.57 3i16 n THR 282 Cb 0.54 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.97 -1.09 -0.87 4.78 3.72 -1.26 -1.52 117.46 120.25 3i16 n PHE 283 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3i16 n PHE 283 Cb 0.80 -2.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.14 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 -0.46 0.41 0.58 1.37 0.00 -1.26 -4.89 105.19 100.94 3i16 n GLY 284 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.24 0.20 -0.09 1.61 0.24 -0.58 -4.32 118.33 113.15 3i16 n VAL 285 Ca 0.00 -0.36 -0.04 0.00 -2.04 0.00 0.00 64.34 61.91 3i16 n VAL 285 Cb 0.10 0.43 0.18 0.00 -1.47 0.00 0.00 33.84 33.08 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 2.36 1.24 -0.65 3.34 3.04 -1.83 -2.69 116.25 121.05 3i16 h VAL 286 Ca 0.00 -0.99 0.06 0.00 -1.01 0.00 0.00 66.70 64.76 3i16 h VAL 286 Cb 0.51 0.90 -0.05 0.00 -2.01 0.00 0.00 31.29 30.65 3i16 h VAL 286 CO 0.00 0.35 0.36 -0.09 -1.01 0.00 0.00 177.57 177.17 3i16 h ARG 287 N 0.70 0.65 -1.78 4.17 2.43 -1.88 -1.30 114.38 117.38 3i16 h ARG 287 Ca 0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3i16 h ARG 287 Cb 0.45 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3i16 h ARG 287 CO 0.02 0.43 0.00 -1.13 -1.51 0.00 0.00 179.97 177.78 3i16 n SER 288 N -4.80 0.69 0.00 -3.80 3.41 -1.01 -0.82 113.62 107.28 3i16 n SER 288 Ca 0.08 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3i16 n SER 288 Cb 0.17 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.90 0.00 -0.27 7.33 4.01 -0.49 -0.90 117.16 127.74 3i16 n TYR 290 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 3i16 n TYR 290 Cb 0.11 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.06 -0.56 -0.72 4.15 -1.24 -1.86 115.11 115.95 3i16 h GLN 291 Ca 0.00 -0.16 0.03 0.00 0.77 0.00 0.00 58.65 59.30 3i16 h GLN 291 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 3i16 h GLN 291 CO 0.00 0.83 0.32 0.78 -1.93 0.00 0.00 178.83 178.83 3i16 h GLY 292 N 1.04 0.79 0.86 2.39 0.00 -1.21 -0.72 103.07 106.22 3i16 h GLY 292 Ca 0.25 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.38 3i16 h GLY 292 CO -0.03 0.19 0.34 -2.00 0.00 0.00 0.00 176.54 175.04 3i16 h LEU 293 N 0.63 0.55 -0.95 3.11 5.85 -1.47 0.12 115.31 123.15 3i16 h LEU 293 Ca 0.23 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3i16 h LEU 293 Cb 0.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3i16 h LEU 293 CO -0.12 0.39 0.34 0.15 -0.34 0.00 0.00 178.44 178.86 3i16 h PHE 294 N 0.67 1.09 0.00 1.25 3.57 -0.72 -2.12 116.94 120.68 3i16 h PHE 294 Ca 0.23 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3i16 h PHE 294 Cb 0.03 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.43 3i16 h PHE 294 CO -0.06 0.81 -0.04 1.28 -2.23 0.00 0.00 178.31 178.07 3i16 n LEU 295 N -4.31 0.76 -0.22 0.59 4.77 -0.33 -4.46 117.00 113.80 3i16 n LEU 295 Ca 0.07 0.55 -0.02 0.00 -0.03 0.00 0.00 56.01 56.57 3i16 n LEU 295 Cb 0.15 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3i16 n LEU 295 CO 0.40 -0.16 1.09 0.00 -1.33 0.00 0.00 177.39 177.38 3i16 h ALA 296 N 2.55 0.85 -0.81 -1.18 0.00 -0.05 -1.28 119.26 119.35 3i16 h ALA 296 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i16 h ALA 296 Cb 0.72 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3i16 h ALA 296 CO 0.00 0.06 0.53 -1.35 0.00 0.00 0.00 179.25 178.49 3i16 h PRO 297 N 0.69 1.06 0.08 0.00 0.11 -1.78 -0.07 132.00 132.09 3i16 h PRO 297 Ca 0.28 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 3i16 h PRO 297 Cb 0.14 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3i16 h PRO 297 CO -0.16 0.71 -0.04 1.25 -0.21 0.00 0.00 178.00 179.55 3i16 h HIS 298 N 1.09 -0.09 -0.55 0.65 -0.00 -1.75 -3.33 115.15 111.17 3i16 h HIS 298 Ca 0.29 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.61 3i16 h HIS 298 Cb -0.12 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 3i16 h HIS 298 CO 0.00 0.46 0.13 0.82 -0.00 0.00 0.00 177.93 179.34 3i16 h ILE 299 N -0.76 1.23 0.00 6.26 1.08 -1.14 -1.77 117.51 122.41 3i16 h ILE 299 Ca -0.01 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3i16 h ILE 299 Cb 0.59 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3i16 h ILE 299 CO 0.02 0.31 0.00 -1.20 -0.69 0.00 0.00 178.15 176.58 3i16 n SER 300 N -4.27 0.00 0.00 1.72 7.64 -0.05 -2.03 113.62 116.62 3i16 n SER 300 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3i16 n SER 300 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.44 0.00 -0.14 1.43 -0.58 -0.67 -1.58 120.64 119.55 3i16 n GLU 302 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3i16 n GLU 302 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 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 0.54 -0.57 0.62 0.00 -1.35 -2.43 119.26 116.08 3i16 h ALA 303 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3i16 h ALA 303 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3i16 h ALA 303 CO 0.00 0.33 0.18 1.25 0.00 0.00 0.00 179.25 181.01 3i16 h LEU 304 N 0.54 0.78 -0.95 0.00 5.85 -1.57 -1.57 115.31 118.39 3i16 h LEU 304 Ca 0.11 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i16 h LEU 304 Cb 0.49 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3i16 h LEU 304 CO 0.02 0.73 0.60 0.11 -0.34 0.00 0.00 178.44 179.56 3i16 h LYS 305 N 0.82 1.28 -0.62 1.25 1.57 -1.80 -0.25 116.57 118.82 3i16 h LYS 305 Ca 0.19 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3i16 h LYS 305 Cb 0.23 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3i16 h LYS 305 CO -0.01 0.88 0.38 0.78 -0.57 0.00 0.00 179.45 180.91 3i16 h GLY 306 N 1.31 0.89 0.99 3.86 0.00 -0.85 -1.38 103.07 107.89 3i16 h GLY 306 Ca 0.34 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3i16 h GLY 306 CO -0.07 0.23 0.25 0.00 0.00 0.00 0.00 176.54 176.95 3i16 h ALA 307 N 1.28 0.74 -0.41 3.60 0.00 -0.44 -0.58 119.26 123.45 3i16 h ALA 307 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3i16 h ALA 307 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i16 h ALA 307 CO -0.11 0.33 -0.07 0.82 0.00 0.00 0.00 179.25 180.22 3i16 h ILE 308 N 0.78 1.27 -0.47 0.00 2.04 -0.91 0.12 117.51 120.33 3i16 h ILE 308 Ca 0.19 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 3i16 h ILE 308 Cb 0.16 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3i16 h ILE 308 CO -0.02 0.38 0.17 0.25 0.00 0.00 0.00 178.15 178.94 3i16 h LEU 309 N 0.58 0.67 -0.34 1.44 5.85 -1.12 -1.51 115.31 120.88 3i16 h LEU 309 Ca 0.11 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3i16 h LEU 309 Cb 0.58 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3i16 h LEU 309 CO 0.03 0.67 0.12 0.00 -0.34 0.00 0.00 178.44 178.93 3i16 h SER 311 N 0.27 0.06 -0.09 0.00 0.87 -0.37 -3.07 113.55 111.22 3i16 h SER 311 Ca 0.15 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3i16 h SER 311 Cb 0.12 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3i16 h SER 311 CO -0.15 0.07 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.06 3i16 h ARG 312 N 0.17 0.20 -1.11 2.24 9.65 -1.05 -2.26 114.38 122.22 3i16 h ARG 312 Ca 0.11 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3i16 h ARG 312 Cb 0.09 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 3i16 h ARG 312 CO -0.13 0.58 0.00 1.51 2.80 0.00 0.00 179.97 184.74 3i16 n ILE 313 N -4.72 0.10 0.00 1.20 3.06 -0.10 -1.01 119.36 117.89 3i16 n ILE 313 Ca -0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 3i16 n ILE 313 Cb 0.28 -0.37 0.00 0.00 0.54 0.00 0.00 39.64 40.10 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 0.70 0.00 0.21 9.51 2.13 -0.85 -1.49 120.64 130.86 3i16 n GLU 315 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 3i16 n GLU 315 Cb 0.07 0.00 0.62 0.00 0.27 0.00 0.00 31.44 32.40 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 0.05 -0.03 4.31 3.38 -1.34 0.22 115.31 121.89 3i16 h LEU 316 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i16 h LEU 316 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3i16 h LEU 316 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3i16 n ALA 317 N -2.54 2.68 -0.28 1.53 0.00 -0.55 -4.91 120.51 116.44 3i16 n ALA 317 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3i16 n ALA 317 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3i16 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i16 n GLY 318 N 0.99 0.85 3.69 0.00 0.00 0.06 -5.09 105.19 105.69 3i16 n GLY 318 Ca 0.23 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 3.24 0.41 1.61 0.08 -1.25 -5.00 117.98 115.06 3i16 s PHE 319 Ca 0.00 0.17 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 3i16 s PHE 319 Cb 0.00 -1.90 -0.08 0.00 -0.57 0.00 0.00 43.02 40.47 3i16 s PHE 319 CO 0.00 0.39 1.24 -1.21 -0.10 0.00 0.00 175.22 175.55 3i16 s GLU 320 N -0.50 3.97 0.00 0.44 2.02 -1.25 -3.58 118.70 119.79 3i16 s GLU 320 Ca 0.09 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.10 3i16 s GLU 320 Cb -0.12 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3i16 s GLU 320 CO 0.02 -0.44 0.00 1.33 0.02 0.00 0.00 175.26 176.19 3i16 n VAL 321 N 0.05 0.00 -0.53 2.63 0.24 -1.26 -0.98 118.33 118.48 3i16 n VAL 321 Ca 0.04 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.06 3i16 n VAL 321 Cb 0.45 0.00 0.21 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.00 -2.49 -1.73 7.34 -0.04 -1.26 -5.01 135.00 131.80 3i16 n PRO 323 Ca 0.00 -0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 62.44 3i16 n PRO 323 Cb 0.00 -1.78 0.07 0.00 -0.04 0.00 0.00 33.50 31.75 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 -3.89 2.47 0.52 0.54 -0.14 -1.26 -4.86 119.74 113.12 3i16 s LYS 324 Ca 0.57 0.53 0.28 0.00 -1.36 0.00 0.00 55.97 55.98 3i16 s LYS 324 Cb -0.14 -1.97 1.39 0.00 -1.68 0.00 0.00 37.83 35.43 3i16 s LYS 324 CO 0.58 -1.32 2.03 0.10 -0.76 0.00 0.00 175.35 175.98 3i16 h TYR 325 N -0.87 0.00 -0.48 3.18 -0.00 -1.86 -3.06 116.97 113.88 3i16 h TYR 325 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 3i16 h TYR 325 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3i16 h TYR 325 CO 0.48 0.13 0.00 -0.40 -0.00 0.00 0.00 178.16 178.37 3i16 n ASP 326 N -3.54 3.52 -4.88 0.10 5.75 -1.26 -4.94 116.55 111.30 3i16 n ASP 326 Ca -0.01 -2.14 -0.30 0.00 -0.01 0.00 0.00 54.79 52.32 3i16 n ASP 326 Cb 0.27 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.26 3.77 0.20 0.11 2.02 -1.16 -5.03 118.70 117.35 3i16 s GLU 327 Ca 0.35 0.46 -0.30 0.00 0.02 0.00 0.00 54.97 55.50 3i16 s GLU 327 Cb 0.20 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 3i16 s GLU 327 CO 0.21 -0.04 1.19 0.15 0.02 0.00 0.00 175.26 176.79 3i16 s LYS 328 N -3.87 4.50 0.09 1.61 1.02 -1.26 -4.98 119.74 116.86 3i16 s LYS 328 Ca 0.51 1.89 0.07 0.00 0.02 0.00 0.00 55.97 58.46 3i16 s LYS 328 Cb -0.10 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 3i16 s LYS 328 CO 0.32 -0.06 -0.12 1.03 -0.92 0.00 0.00 175.35 175.60 3i16 s ARG 329 N -0.47 2.08 0.00 1.68 0.52 -1.26 -4.91 118.95 116.58 3i16 s ARG 329 Ca 0.52 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 3i16 s ARG 329 Cb -0.33 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 32.87 3i16 s ARG 329 CO 0.38 0.51 0.87 0.45 0.02 0.00 0.00 175.30 177.53 3i16 n SER 330 N 0.86 1.66 -3.80 0.23 2.88 -1.26 -4.87 113.62 109.32 3i16 n SER 330 Ca -0.14 -1.75 -0.07 0.00 -1.33 0.00 0.00 58.87 55.58 3i16 n SER 330 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.75 -0.21 0.00 -3.46 1.47 -1.26 -3.99 116.67 108.47 3i16 s ASP 331 Ca 0.00 -0.69 0.21 0.00 1.18 0.00 0.00 52.55 53.25 3i16 s ASP 331 Cb 0.00 0.73 0.65 0.00 -0.34 0.00 0.00 42.92 43.96 3i16 s ASP 331 CO 0.00 -1.36 1.50 2.30 0.68 0.00 0.00 175.17 178.30 3i16 n ILE 332 N -0.46 0.27 -2.97 2.11 -5.35 -1.18 -4.94 119.36 106.84 3i16 n ILE 332 Ca -0.04 -0.44 -0.40 0.00 -0.27 0.00 0.00 62.75 61.60 3i16 n ILE 332 Cb 0.59 0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.73 4.61 -0.07 7.28 1.01 -1.26 -4.47 121.20 126.58 3i16 s ILE 333 Ca 0.34 1.67 0.05 0.00 0.00 0.00 0.00 60.65 62.71 3i16 s ILE 333 Cb 0.19 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 3i16 s ILE 333 CO 0.28 0.41 -0.23 -1.58 0.00 0.00 0.00 174.94 173.81 3i16 s GLN 334 N -0.39 2.53 0.03 2.79 2.00 -0.18 -4.66 119.66 121.78 3i16 s GLN 334 Ca 0.38 -0.84 0.05 0.00 -2.00 0.00 0.00 55.36 52.95 3i16 s GLN 334 Cb -0.21 -2.08 -0.03 0.00 0.80 0.00 0.00 33.01 31.48 3i16 s GLN 334 CO 0.24 0.30 -0.12 -1.54 -0.50 0.00 0.00 175.29 173.67 3i16 s SER 335 N 0.02 4.24 -0.07 6.67 1.04 -1.26 -0.15 113.70 124.19 3i16 s SER 335 Ca -0.08 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.07 3i16 s SER 335 Cb -0.15 -0.85 0.02 0.00 0.10 0.00 0.00 66.02 65.14 3i16 s SER 335 CO 0.05 0.26 -0.06 -0.63 0.98 0.00 0.00 173.24 173.84 3i16 s ILE 336 N -0.98 0.71 -0.45 -1.02 1.01 -0.31 -4.49 121.20 115.67 3i16 s ILE 336 Ca 0.16 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 3i16 s ILE 336 Cb -0.11 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.66 3i16 s ILE 336 CO 0.07 0.28 0.53 -0.75 0.00 0.00 0.00 174.94 175.08 3i16 s LYS 337 N 1.21 3.15 0.06 2.79 2.20 -0.15 -0.85 119.74 128.15 3i16 s LYS 337 Ca -0.06 -0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 54.83 3i16 s LYS 337 Cb -0.14 -4.00 -0.27 0.00 -1.51 0.00 0.00 37.83 31.92 3i16 s LYS 337 CO -0.02 -0.99 1.07 0.74 -0.36 0.00 0.00 175.35 175.79 3i16 h PHE 338 N 8.83 0.37 -1.59 4.03 0.04 -1.32 -3.33 116.94 123.96 3i16 h PHE 338 Ca -0.26 -0.27 -0.40 0.00 2.80 0.00 0.00 57.97 59.84 3i16 h PHE 338 Cb 1.10 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 39.13 3i16 h PHE 338 CO 0.68 1.24 -0.41 -1.71 -0.60 0.00 0.00 178.31 177.51 3i16 n ASN 339 N -3.45 -5.46 -3.65 2.17 5.15 -0.25 -4.94 115.26 104.83 3i16 n ASN 339 Ca -0.09 0.31 -0.04 0.00 -0.60 0.00 0.00 54.58 54.15 3i16 n ASN 339 Cb 1.01 -4.62 -0.06 0.00 -0.53 0.00 0.00 39.78 35.59 3i16 n ASN 339 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i16 s ASP 340 N -2.56 -0.97 0.15 1.20 -1.08 -1.26 -4.97 116.67 107.19 3i16 s ASP 340 Ca 0.00 1.47 -0.16 0.00 -0.52 0.00 0.00 52.55 53.34 3i16 s ASP 340 Cb 0.00 1.84 0.02 0.00 -1.46 0.00 0.00 42.92 43.32 3i16 s ASP 340 CO 0.00 -0.23 1.81 0.50 0.52 0.00 0.00 175.17 177.77 3i16 h LYS 341 N 7.65 0.51 -0.72 4.34 3.64 -1.93 -2.43 116.57 127.63 3i16 h LYS 341 Ca -0.23 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 3i16 h LYS 341 Cb 1.15 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3i16 h LYS 341 CO 0.13 0.34 0.22 -0.44 -2.27 0.00 0.00 179.45 177.43 3i16 h ASP 342 N 0.53 1.06 -0.78 4.20 3.32 -1.99 -1.27 116.42 121.48 3i16 h ASP 342 Ca 0.15 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3i16 h ASP 342 Cb -0.05 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 3i16 h ASP 342 CO -0.04 0.99 0.31 0.11 -1.72 0.00 0.00 179.24 178.89 3i16 h LYS 343 N 1.07 1.16 -0.26 3.56 1.57 -1.93 -0.28 116.57 121.45 3i16 h LYS 343 Ca 0.23 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3i16 h LYS 343 Cb 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3i16 h LYS 343 CO -0.01 0.94 0.09 1.25 -0.57 0.00 0.00 179.45 181.16 3i16 h LEU 344 N 1.12 0.37 0.02 2.94 7.12 -1.05 -0.82 115.31 125.01 3i16 h LEU 344 Ca 0.26 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 3i16 h LEU 344 Cb 0.21 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 3i16 h LEU 344 CO -0.02 0.45 -0.01 0.40 -0.13 0.00 0.00 178.44 179.12 3i16 h ILE 345 N 0.26 1.01 -0.88 4.05 2.04 -0.98 -1.90 117.51 121.11 3i16 h ILE 345 Ca 0.09 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3i16 h ILE 345 Cb 0.20 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3i16 h ILE 345 CO -0.01 0.02 0.51 -0.33 0.00 0.00 0.00 178.15 178.35 3i16 h GLU 346 N -0.07 1.20 -0.11 2.37 4.39 -1.00 -0.38 114.58 120.98 3i16 h GLU 346 Ca -0.00 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3i16 h GLU 346 Cb 0.07 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3i16 h GLU 346 CO 0.01 0.85 0.06 0.35 -1.16 0.00 0.00 179.01 179.12 3i16 h PHE 347 N 1.21 0.15 -0.86 4.33 3.57 -0.94 -1.23 116.94 123.17 3i16 h PHE 347 Ca 0.31 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 3i16 h PHE 347 Cb -0.03 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3i16 h PHE 347 CO 0.01 0.16 0.51 0.00 -2.23 0.00 0.00 178.31 176.76 3i16 h LYS 349 N 1.18 0.99 -0.07 0.00 1.57 -0.85 -1.44 116.57 117.95 3i16 h LYS 349 Ca 0.31 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3i16 h LYS 349 Cb -0.03 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 3i16 h LYS 349 CO -0.06 0.66 0.03 0.78 -0.57 0.00 0.00 179.45 180.29 3i16 h GLY 350 N 1.02 0.11 0.50 3.86 0.00 -0.38 -1.84 103.07 106.33 3i16 h GLY 350 Ca 0.34 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.71 3i16 h GLY 350 CO -0.11 0.05 0.35 -2.22 0.00 0.00 0.00 176.54 174.61 3i16 h ILE 351 N -0.01 0.86 -0.54 2.60 1.08 -0.71 -1.60 117.51 119.19 3i16 h ILE 351 Ca 0.02 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 3i16 h ILE 351 Cb 0.12 0.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 3i16 h ILE 351 CO -0.00 0.11 0.30 -0.61 -0.69 0.00 0.00 178.15 177.26 3i16 h GLN 352 N 0.60 0.58 0.00 2.37 5.75 -0.96 -1.51 115.11 121.94 3i16 h GLN 352 Ca 0.34 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3i16 h GLN 352 Cb 0.33 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.75 3i16 h GLN 352 CO -0.25 0.38 0.00 1.79 -2.65 0.00 0.00 178.83 178.10 3i16 h THR 353 N 0.59 0.00 -0.11 2.39 1.35 -0.48 -1.72 112.91 114.94 3i16 h THR 353 Ca 0.23 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3i16 h THR 353 Cb 0.08 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3i16 h THR 353 CO -0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 3i16 n GLY 354 N -0.27 0.19 3.84 5.82 0.00 -0.58 -4.91 105.19 109.28 3i16 n GLY 354 Ca 0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.73 6.84 0.22 1.61 0.01 -0.65 -4.71 113.70 115.30 3i16 s SER 355 Ca 0.35 1.26 0.01 0.00 1.31 0.00 0.00 55.95 58.88 3i16 s SER 355 Cb 0.19 -2.36 0.20 0.00 0.21 0.00 0.00 66.02 64.25 3i16 s SER 355 CO 0.29 -0.10 1.54 1.55 0.41 0.00 0.00 173.24 176.93 3i16 h PRO 356 N 2.73 0.37 -5.65 12.44 0.13 -1.89 -3.37 132.00 136.76 3i16 h PRO 356 Ca -0.48 -0.24 -0.66 0.00 -0.87 0.00 0.00 66.00 63.75 3i16 h PRO 356 Cb 1.18 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3i16 h PRO 356 CO 0.66 0.85 -0.58 0.42 -0.23 0.00 0.00 178.00 179.12 3i16 s ILE 357 N -3.86 4.70 -1.53 -3.56 -1.09 -1.25 -4.58 121.20 110.04 3i16 s ILE 357 Ca -0.05 -0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.23 3i16 s ILE 357 Cb 0.12 -3.04 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 3i16 s ILE 357 CO 0.82 0.56 0.51 0.47 -1.23 0.00 0.00 174.94 176.06 3i16 n ASP 358 N 2.61 -5.68 0.29 3.58 8.00 -1.26 -4.24 116.55 119.85 3i16 n ASP 358 Ca -0.18 -0.26 0.16 0.00 0.71 0.00 0.00 54.79 55.22 3i16 n ASP 358 Cb 0.53 -4.62 0.84 0.00 -0.02 0.00 0.00 41.12 37.85 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 -1.14 0.00 0.04 -2.24 4.64 -1.75 -2.51 113.55 110.60 3i16 h SER 359 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3i16 h SER 359 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3i16 h SER 359 CO 0.56 0.06 -0.08 2.22 -0.87 0.00 0.00 176.83 178.72 3i16 n PHE 360 N -3.38 0.00 -2.56 4.77 1.16 -1.26 -4.02 117.46 112.17 3i16 n PHE 360 Ca -0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.22 3i16 n PHE 360 Cb 0.21 -0.03 -0.04 0.00 -1.61 0.00 0.00 39.48 38.02 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 -2.14 3.81 -0.07 1.97 1.01 -0.95 -4.98 120.40 119.05 3i16 s VAL 361 Ca 0.33 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3i16 s VAL 361 Cb 0.20 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 3i16 s VAL 361 CO 0.38 -0.23 1.82 -0.55 0.00 0.00 0.00 175.10 176.53 3i16 s SER 362 N -1.96 6.39 -0.39 3.32 0.15 -1.26 -4.96 113.70 114.98 3i16 s SER 362 Ca 0.67 2.23 -0.02 0.00 0.70 0.00 0.00 55.95 59.52 3i16 s SER 362 Cb -0.16 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.72 3i16 s SER 362 CO 0.20 -1.16 0.17 0.00 1.20 0.00 0.00 173.24 173.65 3i16 s GLU 364 N 1.14 1.08 0.35 0.00 -1.05 -1.26 -4.76 118.70 114.20 3i16 s GLU 364 Ca 0.07 -1.22 -0.28 0.00 -0.15 0.00 0.00 54.97 53.39 3i16 s GLU 364 Cb -0.22 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 33.70 3i16 s GLU 364 CO -0.04 -0.37 1.47 -2.14 0.95 0.00 0.00 175.26 175.13 3i16 s PRO 365 N -3.98 4.15 0.05 -4.83 0.02 -1.26 -4.59 135.00 124.57 3i16 s PRO 365 Ca 0.18 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.67 3i16 s PRO 365 Cb 0.04 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 3i16 s PRO 365 CO -0.00 -0.49 0.05 1.67 -0.33 0.00 0.00 177.00 177.90 3i16 s TRP 366 N -0.93 0.32 0.92 6.54 1.48 0.12 -4.91 118.94 122.48 3i16 s TRP 366 Ca 0.54 -0.73 -0.12 0.00 -1.06 0.00 0.00 56.10 54.73 3i16 s TRP 366 Cb -0.45 -0.23 0.20 0.00 -1.16 0.00 0.00 33.47 31.83 3i16 s TRP 366 CO 0.59 -0.38 1.26 -0.51 -4.06 0.00 0.00 176.95 173.85 3i16 s ASP 367 N -2.46 3.26 -0.33 -2.66 1.01 -1.26 -1.36 116.67 112.87 3i16 s ASP 367 Ca -0.00 0.03 -0.29 0.00 0.71 0.00 0.00 52.55 53.01 3i16 s ASP 367 Cb 0.02 -0.10 0.02 0.00 1.01 0.00 0.00 42.92 43.87 3i16 s ASP 367 CO -0.07 -2.62 1.06 -2.84 0.21 0.00 0.00 175.17 170.91 3i16 s PRO 369 N -5.74 4.03 -1.66 8.23 0.02 -1.26 -5.01 135.00 133.61 3i16 s PRO 369 Ca 0.74 1.00 -0.01 0.00 0.02 0.00 0.00 61.00 62.75 3i16 s PRO 369 Cb -0.03 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.74 3i16 s PRO 369 CO 0.51 -0.92 0.09 0.41 -0.33 0.00 0.00 177.00 176.76 3i16 n GLY 370 N 3.96 -0.45 0.05 0.52 0.00 -1.26 -4.93 105.19 103.08 3i16 n GLY 370 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i16 n GLY 370 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i16 n TYR 371 N -4.09 0.00 0.00 1.61 0.53 -1.26 -5.01 117.16 108.94 3i16 n TYR 371 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.66 3i16 n TYR 371 Cb 0.67 -0.62 0.00 0.00 -1.03 0.00 0.00 39.34 38.36 3i16 n TYR 371 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 3i16 n THR 372 N -2.38 0.00 -2.83 -0.72 -1.04 -1.26 -4.83 114.28 101.22 3i16 n THR 372 Ca -0.15 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.50 3i16 n THR 372 Cb 0.76 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.20 3i16 n THR 372 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3i16 s ASP 373 N 0.00 7.15 0.77 8.00 1.01 -1.26 -5.06 116.67 127.28 3i16 s ASP 373 Ca 0.00 1.74 -0.11 0.00 0.71 0.00 0.00 52.55 54.89 3i16 s ASP 373 Cb 0.00 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.44 3i16 s ASP 373 CO 0.00 -0.18 1.08 -1.10 0.21 0.00 0.00 175.17 175.18 3i16 s GLN 374 N -2.52 2.27 0.08 8.23 -0.21 -1.26 -4.84 119.66 121.41 3i16 s GLN 374 Ca 0.55 0.93 0.05 0.00 0.02 0.00 0.00 55.36 56.90 3i16 s GLN 374 Cb -0.14 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 3i16 s GLN 374 CO 0.19 -1.57 -0.14 0.08 -2.12 0.00 0.00 175.29 171.74 3i16 s VAL 375 N -3.01 1.09 0.38 1.09 1.01 -0.46 -0.37 120.40 120.13 3i16 s VAL 375 Ca 0.60 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3i16 s VAL 375 Cb -0.16 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3i16 s VAL 375 CO 0.55 -0.28 0.07 -0.51 0.00 0.00 0.00 175.10 174.93 3i16 s ILE 376 N -1.46 1.12 -0.29 2.22 2.07 -0.59 -0.70 121.20 123.56 3i16 s ILE 376 Ca -0.01 -2.00 -0.12 0.00 -1.41 0.00 0.00 60.65 57.11 3i16 s ILE 376 Cb -0.09 -2.62 0.11 0.00 0.13 0.00 0.00 42.46 40.00 3i16 s ILE 376 CO 0.02 0.00 0.66 0.00 -1.91 0.00 0.00 174.94 173.71 3i16 s ALA 378 N -3.15 -1.98 -0.23 1.50 0.00 0.72 -1.34 121.76 117.28 3i16 s ALA 378 Ca 0.29 2.37 -0.19 0.00 0.00 0.00 0.00 51.96 54.43 3i16 s ALA 378 Cb 0.06 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.59 3i16 s ALA 378 CO 0.14 -0.74 0.59 0.00 0.00 0.00 0.00 175.76 175.76 3i16 s ALA 379 N 2.45 -1.50 -0.44 0.00 0.00 -1.26 -1.55 121.76 119.46 3i16 s ALA 379 Ca -0.07 1.80 0.03 0.00 0.00 0.00 0.00 51.96 53.71 3i16 s ALA 379 Cb -0.10 -1.05 0.19 0.00 0.00 0.00 0.00 23.12 22.17 3i16 s ALA 379 CO -0.19 -0.30 0.81 0.20 0.00 0.00 0.00 175.76 176.28 3i16 s GLY 380 N 0.65 -1.43 0.22 0.00 0.00 -1.26 -4.90 107.32 100.61 3i16 s GLY 380 Ca -0.03 0.07 0.10 0.00 0.00 0.00 0.00 44.72 44.87 3i16 s GLY 380 CO -0.04 3.85 -0.13 0.00 0.00 0.00 0.00 173.10 176.78 3i16 s ALA 381 N 1.19 2.85 0.23 3.20 0.00 -1.26 -3.75 121.76 124.22 3i16 s ALA 381 Ca 0.24 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 3i16 s ALA 381 Cb 0.02 -0.55 0.23 0.00 0.00 0.00 0.00 23.12 22.82 3i16 s ALA 381 CO -0.07 0.38 1.61 0.74 0.00 0.00 0.00 175.76 178.41 3i16 h PHE 382 N 2.62 0.68 -3.51 0.00 0.04 -1.97 -3.41 116.94 111.40 3i16 h PHE 382 Ca -0.45 -0.19 -0.67 0.00 2.80 0.00 0.00 57.97 59.46 3i16 h PHE 382 Cb 1.23 -0.15 -0.32 0.00 2.20 0.00 0.00 35.95 38.91 3i16 h PHE 382 CO 0.70 0.87 -0.74 0.42 -0.60 0.00 0.00 178.31 178.96 3i16 s ILE 383 N -4.31 2.90 -0.00 -0.55 -1.09 -1.26 -5.07 121.20 111.82 3i16 s ILE 383 Ca -0.08 -1.01 -0.32 0.00 -2.23 0.00 0.00 60.65 57.02 3i16 s ILE 383 Cb 0.13 -2.47 -0.10 0.00 -1.58 0.00 0.00 42.46 38.43 3i16 s ILE 383 CO 0.82 0.20 1.94 1.67 -1.23 0.00 0.00 174.94 178.34 3i16 n GLN 384 N 4.67 2.62 -0.68 2.79 7.27 -1.26 -1.31 117.38 131.50 3i16 n GLN 384 Ca -0.16 0.96 0.00 0.00 0.07 0.00 0.00 57.00 57.87 3i16 n GLN 384 Cb 0.47 -2.88 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 0.77 3.74 1.69 0.00 -1.26 -5.02 105.19 109.60 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 -2.61 6.46 0.03 1.61 0.15 -0.42 -4.87 113.70 114.05 3i16 s SER 386 Ca 0.00 2.82 0.24 0.00 0.70 0.00 0.00 55.95 59.71 3i16 s SER 386 Cb 0.00 -2.62 0.36 0.00 -1.71 0.00 0.00 66.02 62.06 3i16 s SER 386 CO 0.00 -0.88 1.31 -1.20 1.20 0.00 0.00 173.24 173.67 3i16 n SER 387 N 3.01 0.58 0.03 5.45 7.64 -0.82 -3.83 113.62 125.68 3i16 n SER 387 Ca 0.11 -0.22 0.12 0.00 1.01 0.00 0.00 58.87 59.89 3i16 n SER 387 Cb 0.37 0.36 0.25 0.00 -1.01 0.00 0.00 64.21 64.19 3i16 n SER 387 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i16 n ILE 388 N -1.68 0.16 -3.49 0.44 0.13 -1.24 -3.55 119.36 110.13 3i16 n ILE 388 Ca 0.04 -0.12 -0.37 0.00 -1.10 0.00 0.00 62.75 61.20 3i16 n ILE 388 Cb 0.37 -0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.11 3i16 n ILE 388 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 3i16 s GLU 389 N -3.08 3.90 -0.12 9.51 2.02 -1.25 -0.19 118.70 129.50 3i16 s GLU 389 Ca 0.09 0.38 -0.39 0.00 0.02 0.00 0.00 54.97 55.07 3i16 s GLU 389 Cb 0.16 -3.14 -0.17 0.00 0.10 0.00 0.00 34.13 31.08 3i16 s GLU 389 CO 0.69 0.64 1.51 -0.11 0.02 0.00 0.00 175.26 178.00 3i16 n LEU 390 N 1.50 1.77 -3.65 1.80 7.94 -1.26 -4.35 117.00 120.76 3i16 n LEU 390 Ca -0.12 1.11 -0.10 0.00 -1.11 0.00 0.00 56.01 55.80 3i16 n LEU 390 Cb 0.52 -1.12 -0.02 0.00 0.53 0.00 0.00 43.42 43.33 3i16 n LEU 390 CO 0.39 -0.85 0.40 -0.94 -1.11 0.00 0.00 177.39 175.28 3i16 s SER 391 N 1.92 -0.39 -0.02 1.96 1.04 0.05 -4.49 113.70 113.76 3i16 s SER 391 Ca 0.92 -0.32 -0.13 0.00 0.48 0.00 0.00 55.95 56.90 3i16 s SER 391 Cb -1.07 0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.71 3i16 s SER 391 CO 0.58 -1.12 0.28 0.00 0.98 0.00 0.00 173.24 173.96 3i16 s ALA 392 N -3.84 -0.70 0.02 5.32 0.00 -0.59 -1.57 121.76 120.40 3i16 s ALA 392 Ca 0.06 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 3i16 s ALA 392 Cb -0.03 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3i16 s ALA 392 CO -0.04 -0.24 0.25 0.16 0.00 0.00 0.00 175.76 175.89 3i16 s ASP 393 N -1.21 -0.07 -0.25 0.00 -4.77 -0.15 -0.20 116.67 110.02 3i16 s ASP 393 Ca -0.13 -0.17 -0.19 0.00 -3.30 0.00 0.00 52.55 48.76 3i16 s ASP 393 Cb -0.05 0.30 0.07 0.00 -1.09 0.00 0.00 42.92 42.15 3i16 s ASP 393 CO 0.03 -0.52 0.64 0.00 0.70 0.00 0.00 175.17 176.03 3i16 s ALA 394 N -2.06 -1.64 0.38 2.11 0.00 -0.45 -1.05 121.76 119.04 3i16 s ALA 394 Ca -0.09 2.01 -0.25 0.00 0.00 0.00 0.00 51.96 53.63 3i16 s ALA 394 Cb -0.03 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 3i16 s ALA 394 CO -0.01 -0.33 1.07 -2.14 0.00 0.00 0.00 175.76 174.36 3i16 s PRO 395 N 0.91 4.23 -1.19 0.00 0.02 -1.26 -1.55 135.00 136.16 3i16 s PRO 395 Ca -0.05 1.60 -0.14 0.00 0.02 0.00 0.00 61.00 62.44 3i16 s PRO 395 Cb -0.05 -2.67 0.17 0.00 0.02 0.00 0.00 34.50 31.97 3i16 s PRO 395 CO -0.08 -0.11 1.41 0.42 -0.33 0.00 0.00 177.00 178.32 3i16 s ILE 396 N -1.54 5.01 0.21 2.83 -1.09 0.50 -4.66 121.20 122.46 3i16 s ILE 396 Ca 0.55 -2.56 -0.16 0.00 -2.23 0.00 0.00 60.65 56.25 3i16 s ILE 396 Cb -0.25 -4.90 0.02 0.00 -1.58 0.00 0.00 42.46 35.74 3i16 s ILE 396 CO 0.31 -1.61 0.50 0.00 -1.23 0.00 0.00 174.94 172.91 3i16 s ARG 397 N 1.66 1.42 0.40 2.79 1.70 -1.26 -4.49 118.95 121.16 3i16 s ARG 397 Ca 0.42 -0.99 -0.27 0.00 -0.47 0.00 0.00 55.73 54.43 3i16 s ARG 397 Cb -0.03 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 3i16 s ARG 397 CO -0.01 -0.60 1.37 -1.21 -1.08 0.00 0.00 175.30 173.77 3i16 s GLU 398 N -3.92 4.00 -0.37 3.89 2.02 -1.26 0.22 118.70 123.28 3i16 s GLU 398 Ca 0.13 2.31 0.03 0.00 0.02 0.00 0.00 54.97 57.46 3i16 s GLU 398 Cb -0.01 -2.83 0.53 0.00 0.10 0.00 0.00 34.13 31.92 3i16 s GLU 398 CO 0.01 -0.52 1.75 -0.35 0.02 0.00 0.00 175.26 176.16 3i16 n PRO 399 N 0.23 2.01 -2.83 0.39 -0.04 -1.26 -4.91 135.00 128.60 3i16 n PRO 399 Ca 0.03 -2.41 -0.05 0.00 -0.04 0.00 0.00 63.50 61.04 3i16 n PRO 399 Cb 0.42 -1.94 0.02 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.80 -2.27 -3.73 0.54 4.01 0.13 -1.09 117.16 113.96 3i16 n TYR 400 Ca 0.48 0.84 -0.36 0.00 -0.16 0.00 0.00 57.90 58.70 3i16 n TYR 400 Cb 1.40 -3.71 -0.07 0.00 -0.31 0.00 0.00 39.34 36.66 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 -3.12 5.40 0.09 -0.72 1.01 -1.26 -1.25 121.20 121.35 3i16 s ILE 401 Ca 0.14 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.17 3i16 s ILE 401 Cb -0.02 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3i16 s ILE 401 CO 0.61 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 176.00 3i16 s ALA 402 N -0.24 3.12 -0.16 9.38 0.00 -0.03 -4.37 121.76 129.46 3i16 s ALA 402 Ca 0.13 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3i16 s ALA 402 Cb -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.97 3i16 s ALA 402 CO 0.03 0.67 -0.20 0.71 0.00 0.00 0.00 175.76 176.97 3i16 s TYR 403 N -1.25 2.63 -0.03 0.00 2.02 -0.22 -1.16 117.35 119.35 3i16 s TYR 403 Ca 0.23 -1.46 0.07 0.00 -0.37 0.00 0.00 57.07 55.54 3i16 s TYR 403 Cb -0.11 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3i16 s TYR 403 CO 0.16 -0.71 -0.25 -1.17 -1.57 0.00 0.00 175.55 172.01 3i16 s LEU 404 N 1.13 2.10 0.08 -1.29 1.98 0.79 -0.97 118.68 122.50 3i16 s LEU 404 Ca 0.00 -0.46 -0.19 0.00 -2.89 0.00 0.00 54.13 50.59 3i16 s LEU 404 Cb -0.14 -1.36 0.04 0.00 0.66 0.00 0.00 46.19 45.39 3i16 s LEU 404 CO -0.08 0.30 0.46 0.00 -1.89 0.00 0.00 176.35 175.14 3i16 s GLN 405 N -0.50 1.03 0.00 1.98 0.00 -0.61 -1.01 119.66 120.55 3i16 s GLN 405 Ca 0.07 -0.44 0.00 0.00 -0.00 0.00 0.00 55.36 54.99 3i16 s GLN 405 Cb -0.11 0.46 0.00 0.00 0.00 0.00 0.00 33.01 33.36 3i16 s GLN 405 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.29 175.32 3i16 n GLY 406 N 0.18 -0.21 0.00 2.60 0.00 -1.23 -0.77 105.19 105.75 3i16 n GLY 406 Ca -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.26 2.19 0.37 -0.02 0.00 0.73 -4.20 105.19 103.99 3i16 n GLY 407 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.61 -8.49 0.99 3.38 -1.90 -3.13 115.31 106.77 3i16 h LEU 408 Ca 0.00 0.02 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 3i16 h LEU 408 Cb 0.00 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 40.46 3i16 h LEU 408 CO 0.00 0.35 -0.75 0.42 0.09 0.00 0.00 178.44 178.55 3i16 s THR 409 N -5.63 1.11 0.23 0.22 -4.23 -1.26 -4.84 115.64 101.23 3i16 s THR 409 Ca -0.09 -1.58 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 3i16 s THR 409 Cb 0.21 -1.34 0.21 0.00 1.34 0.00 0.00 72.50 72.91 3i16 s THR 409 CO 0.78 -0.43 1.85 0.15 -0.54 0.00 0.00 174.62 176.42 3i16 h PHE 410 N 3.72 1.24 -0.93 3.99 3.57 -1.79 -2.34 116.94 124.39 3i16 h PHE 410 Ca -0.39 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.11 3i16 h PHE 410 Cb 1.19 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 3i16 h PHE 410 CO 0.64 0.86 0.61 -0.44 -2.23 0.00 0.00 178.31 177.75 3i16 h ASP 411 N 1.25 1.01 -0.19 0.41 3.32 -1.96 0.92 116.42 121.19 3i16 h ASP 411 Ca 0.31 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3i16 h ASP 411 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3i16 h ASP 411 CO -0.05 0.70 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.42 3i16 h HIS 412 N 1.18 0.37 -0.53 4.55 2.76 -1.87 -1.22 115.15 120.39 3i16 h HIS 412 Ca 0.37 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 3i16 h HIS 412 Cb -0.00 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 3i16 h HIS 412 CO -0.01 0.55 0.35 0.00 -1.30 0.00 0.00 177.93 177.51 3i16 h ALA 413 N 0.78 0.67 -0.36 5.26 0.00 -1.01 -1.60 119.26 123.00 3i16 h ALA 413 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i16 h ALA 413 Cb 0.40 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3i16 h ALA 413 CO 0.01 0.12 0.03 -0.22 0.00 0.00 0.00 179.25 179.19 3i16 h LYS 414 N 0.71 0.13 -0.36 0.00 3.64 -0.76 -0.74 116.57 119.20 3i16 h LYS 414 Ca 0.19 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3i16 h LYS 414 Cb -0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3i16 h LYS 414 CO -0.04 0.09 0.22 0.82 -2.27 0.00 0.00 179.45 178.27 3i16 h ILE 415 N 0.13 1.05 -0.66 2.00 2.04 -0.67 -0.58 117.51 120.83 3i16 h ILE 415 Ca 0.18 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3i16 h ILE 415 Cb 0.23 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3i16 h ILE 415 CO -0.27 0.08 0.16 1.23 0.00 0.00 0.00 178.15 179.35 3i16 h GLY 416 N 0.45 1.14 0.94 5.37 0.00 -1.03 -1.51 103.07 108.43 3i16 h GLY 416 Ca 0.14 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.77 3i16 h GLY 416 CO -0.06 0.67 0.36 -2.22 0.00 0.00 0.00 176.54 175.29 3i16 h ILE 417 N 0.99 1.11 -0.59 2.60 2.04 -0.79 0.13 117.51 122.98 3i16 h ILE 417 Ca 0.21 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 3i16 h ILE 417 Cb 0.36 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3i16 h ILE 417 CO 0.00 0.13 0.03 -0.07 0.00 0.00 0.00 178.15 178.24 3i16 h LEU 418 N 0.73 1.00 -0.08 1.44 3.38 -0.83 0.23 115.31 121.18 3i16 h LEU 418 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i16 h LEU 418 Cb -0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3i16 h LEU 418 CO -0.07 1.05 0.04 0.40 0.09 0.00 0.00 178.44 179.94 3i16 h ILE 419 N 0.92 1.11 -0.21 1.22 2.04 -1.03 -1.96 117.51 119.60 3i16 h ILE 419 Ca 0.17 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3i16 h ILE 419 Cb 0.52 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3i16 h ILE 419 CO 0.03 0.09 0.11 0.00 0.00 0.00 0.00 178.15 178.38 3i16 h ALA 420 N 0.91 0.28 -0.79 1.87 0.00 -0.74 -2.97 119.26 117.82 3i16 h ALA 420 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3i16 h ALA 420 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i16 h ALA 420 CO -0.00 -0.18 0.34 1.25 0.00 0.00 0.00 179.25 180.66 3i16 h LEU 421 N 0.23 1.07 -2.38 0.00 5.85 -0.95 -1.78 115.31 117.35 3i16 h LEU 421 Ca 0.07 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i16 h LEU 421 Cb 0.10 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3i16 h LEU 421 CO -0.01 0.94 0.00 0.28 -0.34 0.00 0.00 178.44 179.30 3i16 h SER 422 N 1.15 0.00 1.28 1.25 0.02 -1.20 0.56 113.55 116.61 3i16 h SER 422 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3i16 h SER 422 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3i16 h SER 422 CO -0.03 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 175.69 3i16 h ARG 423 N 0.00 0.00 0.00 3.45 3.08 -1.19 -3.37 114.38 116.35 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 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3i16 h ARG 423 CO 0.00 0.00 -0.10 0.44 -1.07 0.00 0.00 179.97 179.24 3i16 n ILE 424 N -2.55 0.00 -4.77 2.04 -5.35 -0.29 -4.95 119.36 103.49 3i16 n ILE 424 Ca 0.03 -0.23 -0.27 0.00 -0.27 0.00 0.00 62.75 62.01 3i16 n ILE 424 Cb 0.37 0.87 -0.17 0.00 -1.74 0.00 0.00 39.64 38.97 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 -0.67 1.43 0.00 7.28 1.01 0.03 -5.13 120.40 124.35 3i16 s VAL 425 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3i16 s VAL 425 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3i16 s VAL 425 CO 0.00 0.42 0.00 0.29 0.00 0.00 0.00 175.10 175.81