#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w12 s PHE 3 N 0.00 3.11 0.22 -0.14 0.08 -1.26 -5.12 117.98 114.87 2w12 s PHE 3 Ca 0.00 0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 2w12 s PHE 3 Cb 0.00 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2w12 s PHE 3 CO 0.00 0.41 0.42 -1.54 -0.10 0.00 0.00 175.22 174.41 2w12 s SER 4 N -0.78 6.40 0.36 1.36 1.04 -1.26 -4.86 113.70 115.96 2w12 s SER 4 Ca 0.12 0.46 -0.28 0.00 0.48 0.00 0.00 55.95 56.73 2w12 s SER 4 Cb -0.11 -2.04 -0.10 0.00 0.10 0.00 0.00 66.02 63.87 2w12 s SER 4 CO 0.02 -0.07 1.38 -2.16 0.98 0.00 0.00 173.24 173.39 2w12 s PRO 5 N -3.36 4.19 0.11 4.02 0.04 -1.26 -4.84 135.00 133.89 2w12 s PRO 5 Ca 0.40 2.35 0.08 0.00 0.04 0.00 0.00 61.00 63.86 2w12 s PRO 5 Cb -0.11 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2w12 s PRO 5 CO 0.29 -0.38 -0.19 1.03 0.04 0.00 0.00 177.00 177.79 2w12 s ARG 6 N -1.99 1.08 -0.14 4.56 1.81 -0.41 -4.82 118.95 119.05 2w12 s ARG 6 Ca 0.52 -1.16 -0.01 0.00 -1.72 0.00 0.00 55.73 53.36 2w12 s ARG 6 Cb -0.42 -1.26 0.03 0.00 -0.45 0.00 0.00 34.95 32.85 2w12 s ARG 6 CO 0.56 0.28 -0.05 0.71 -0.68 0.00 0.00 175.30 176.13 2w12 s TYR 7 N -1.34 1.45 -0.34 -0.53 2.02 0.13 -0.77 117.35 117.97 2w12 s TYR 7 Ca 0.06 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.97 2w12 s TYR 7 Cb -0.09 -1.21 0.10 0.00 -0.40 0.00 0.00 41.96 40.36 2w12 s TYR 7 CO 0.04 -0.54 0.06 0.42 -1.57 0.00 0.00 175.55 173.96 2w12 s ILE 8 N 1.72 2.08 -0.06 2.71 1.01 0.12 -4.32 121.20 124.46 2w12 s ILE 8 Ca 0.03 -2.23 -0.30 0.00 0.00 0.00 0.00 60.65 58.15 2w12 s ILE 8 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 2w12 s ILE 8 CO -0.08 -0.61 1.47 -1.61 0.00 0.00 0.00 174.94 174.11 2w12 s GLU 9 N 0.99 4.23 -0.08 2.79 2.02 -1.26 -3.31 118.70 124.07 2w12 s GLU 9 Ca 0.11 1.98 -0.10 0.00 0.02 0.00 0.00 54.97 56.98 2w12 s GLU 9 Cb -0.19 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.23 2w12 s GLU 9 CO -0.10 -0.71 0.23 -0.51 0.02 0.00 0.00 175.26 174.19 2w12 s LEU 10 N 3.27 4.41 -0.11 1.80 1.43 -0.04 -0.11 118.68 129.34 2w12 s LEU 10 Ca 0.65 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 2w12 s LEU 10 Cb -0.30 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2w12 s LEU 10 CO 0.25 0.37 -0.12 0.00 0.23 0.00 0.00 176.35 177.08 2w12 s ALA 11 N -0.99 2.70 -0.10 4.21 0.00 -0.39 0.84 121.76 128.02 2w12 s ALA 11 Ca 0.18 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2w12 s ALA 11 Cb -0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2w12 s ALA 11 CO 0.07 0.34 -0.11 0.08 0.00 0.00 0.00 175.76 176.13 2w12 s VAL 12 N 0.03 3.25 -0.21 0.00 1.01 -0.22 -1.16 120.40 123.10 2w12 s VAL 12 Ca -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2w12 s VAL 12 Cb -0.14 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.93 2w12 s VAL 12 CO 0.04 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.87 2w12 s VAL 13 N -0.09 1.85 -0.21 2.92 1.01 -0.03 -0.95 120.40 124.90 2w12 s VAL 13 Ca -0.01 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 2w12 s VAL 13 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2w12 s VAL 13 CO 0.03 0.22 0.34 0.00 0.00 0.00 0.00 175.10 175.69 2w12 s ALA 14 N 1.31 3.57 1.00 5.51 0.00 0.28 0.15 121.76 133.58 2w12 s ALA 14 Ca -0.01 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 2w12 s ALA 14 Cb -0.16 -2.54 0.22 0.00 0.00 0.00 0.00 23.12 20.64 2w12 s ALA 14 CO -0.09 -0.25 1.33 0.16 0.00 0.00 0.00 175.76 176.91 2w12 s ASP 15 N 1.00 2.77 0.40 0.00 -4.77 -0.34 -0.70 116.67 115.03 2w12 s ASP 15 Ca 0.16 0.23 0.15 0.00 -3.30 0.00 0.00 52.55 49.78 2w12 s ASP 15 Cb -0.14 -0.22 0.83 0.00 -1.09 0.00 0.00 42.92 42.29 2w12 s ASP 15 CO 0.07 -2.94 1.87 -0.74 0.70 0.00 0.00 175.17 174.12 2w12 h HIS 16 N -1.79 0.00 -0.86 2.11 -0.00 -1.88 -1.54 115.15 111.19 2w12 h HIS 16 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.91 2w12 h HIS 16 Cb 1.23 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.60 2w12 h HIS 16 CO -1.43 0.32 0.47 0.78 -0.00 0.00 0.00 177.93 178.07 2w12 h GLY 17 N 1.05 1.29 0.95 5.26 0.00 -1.92 -0.02 103.07 109.68 2w12 h GLY 17 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 2w12 h GLY 17 CO 0.04 0.56 0.12 -2.22 0.00 0.00 0.00 176.54 175.04 2w12 h ILE 18 N 1.21 1.23 -0.30 2.60 1.08 -1.64 -0.10 117.51 121.59 2w12 h ILE 18 Ca 0.30 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 64.03 2w12 h ILE 18 Cb 0.03 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 2w12 h ILE 18 CO -0.05 0.28 0.08 0.15 -0.69 0.00 0.00 178.15 177.92 2w12 h PHE 19 N 0.58 0.15 -0.06 1.37 3.57 -0.41 -1.71 116.94 120.42 2w12 h PHE 19 Ca 0.14 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.48 2w12 h PHE 19 Cb 0.30 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2w12 h PHE 19 CO 0.02 0.05 -0.73 1.79 -2.23 0.00 0.00 178.31 177.21 2w12 h THR 20 N 0.21 1.40 -0.85 4.41 1.35 -0.98 0.70 112.91 119.14 2w12 h THR 20 Ca 0.14 -2.19 0.09 0.00 -0.55 0.00 0.00 66.41 63.90 2w12 h THR 20 Cb 0.13 2.15 -0.06 0.00 -1.73 0.00 0.00 68.15 68.64 2w12 h THR 20 CO -0.16 0.65 0.55 0.50 -0.25 0.00 0.00 175.52 176.81 2w12 h LYS 21 N 0.23 0.84 -0.87 4.72 3.64 -0.58 -0.77 116.57 123.78 2w12 h LYS 21 Ca -0.03 -0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 58.95 2w12 h LYS 21 Cb 1.30 -0.19 -0.21 0.00 -0.41 0.00 0.00 32.23 32.72 2w12 h LYS 21 CO 0.12 0.55 0.45 0.66 -2.27 0.00 0.00 179.45 178.97 2w12 n TYR 22 N -4.51 2.76 -2.79 1.91 4.01 -0.68 -4.92 117.16 112.94 2w12 n TYR 22 Ca 0.14 -1.49 -0.19 0.00 -0.16 0.00 0.00 57.90 56.20 2w12 n TYR 22 Cb 0.28 -0.81 0.02 0.00 -0.31 0.00 0.00 39.34 38.52 2w12 n TYR 22 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2w12 n ASN 23 N -0.59 -5.35 -1.40 7.72 5.03 -0.30 -1.41 115.26 118.97 2w12 n ASN 23 Ca 0.50 -0.20 -0.18 0.00 0.87 0.00 0.00 54.58 55.57 2w12 n ASN 23 Cb 1.53 -4.23 -0.08 0.00 -1.02 0.00 0.00 39.78 35.97 2w12 n ASN 23 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2w12 n SER 24 N -1.73 -5.42 -4.37 6.41 7.64 0.22 -4.93 113.62 111.44 2w12 n SER 24 Ca -0.12 0.45 -0.45 0.00 1.01 0.00 0.00 58.87 59.77 2w12 n SER 24 Cb 0.61 -4.53 -0.05 0.00 -1.01 0.00 0.00 64.21 59.24 2w12 n SER 24 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2w12 s ASN 25 N -2.73 6.18 0.46 6.43 3.84 -0.50 -4.88 114.94 123.74 2w12 s ASN 25 Ca 0.00 -1.43 0.14 0.00 0.21 0.00 0.00 52.86 51.78 2w12 s ASN 25 Cb 0.00 -2.30 1.05 0.00 -0.55 0.00 0.00 41.25 39.46 2w12 s ASN 25 CO 0.00 -1.09 2.03 -0.07 -2.79 0.00 0.00 177.10 175.18 2w12 h LEU 26 N 9.90 0.03 -0.20 3.21 3.38 -1.91 -2.16 115.31 127.55 2w12 h LEU 26 Ca -0.29 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2w12 h LEU 26 Cb 1.09 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2w12 h LEU 26 CO 1.09 0.15 0.07 0.78 0.09 0.00 0.00 178.44 180.62 2w12 h ASN 27 N 0.03 0.07 -0.50 -0.43 -0.26 -1.97 0.11 115.58 112.63 2w12 h ASN 27 Ca 0.01 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 2w12 h ASN 27 Cb 0.23 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 2w12 h ASN 27 CO 0.02 0.07 0.24 0.74 -1.06 0.00 0.00 177.43 177.43 2w12 h THR 28 N 0.16 1.20 -0.25 2.81 2.02 -1.76 -0.95 112.91 116.12 2w12 h THR 28 Ca 0.09 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 2w12 h THR 28 Cb 0.06 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2w12 h THR 28 CO -0.09 0.22 -0.00 0.40 0.37 0.00 0.00 175.52 176.42 2w12 h ILE 29 N 0.67 1.26 -0.73 3.11 2.04 -1.19 -1.21 117.51 121.45 2w12 h ILE 29 Ca 0.17 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2w12 h ILE 29 Cb 0.13 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2w12 h ILE 29 CO -0.02 0.29 0.37 0.03 0.00 0.00 0.00 178.15 178.82 2w12 h ARG 30 N 0.23 1.04 -0.62 2.37 3.08 -0.70 -0.08 114.38 119.70 2w12 h ARG 30 Ca 0.07 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2w12 h ARG 30 Cb 0.42 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2w12 h ARG 30 CO 0.01 0.80 0.17 1.15 -1.07 0.00 0.00 179.97 181.03 2w12 h THR 31 N 1.02 1.25 -0.16 2.04 2.02 -1.00 0.99 112.91 119.07 2w12 h THR 31 Ca 0.25 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 2w12 h THR 31 Cb 0.08 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2w12 h THR 31 CO -0.04 0.33 -0.01 -0.09 0.37 0.00 0.00 175.52 176.09 2w12 h ARG 32 N 0.90 0.28 -0.74 6.66 2.43 -0.64 -0.89 114.38 122.38 2w12 h ARG 32 Ca 0.20 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2w12 h ARG 32 Cb 0.33 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2w12 h ARG 32 CO -0.00 0.52 0.34 0.28 -1.51 0.00 0.00 179.97 179.60 2w12 h VAL 33 N 0.01 1.24 -0.57 0.20 2.07 -0.87 -0.22 116.25 118.11 2w12 h VAL 33 Ca 0.04 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2w12 h VAL 33 Cb 0.40 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2w12 h VAL 33 CO 0.01 0.29 0.34 -0.74 0.02 0.00 0.00 177.57 177.49 2w12 h HIS 34 N 1.04 0.77 -0.58 1.57 -0.00 -0.61 0.73 115.15 118.06 2w12 h HIS 34 Ca 0.25 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.58 2w12 h HIS 34 Cb 0.14 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 2w12 h HIS 34 CO 0.01 0.54 0.22 0.93 -0.00 0.00 0.00 177.93 179.63 2w12 h GLU 35 N 0.78 0.88 -0.58 5.26 5.08 -0.85 -1.19 114.58 123.95 2w12 h GLU 35 Ca 0.21 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2w12 h GLU 35 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2w12 h GLU 35 CO -0.04 0.76 0.03 0.52 -1.00 0.00 0.00 179.01 179.29 2w12 h MET 36 N 0.81 1.00 -0.57 2.33 2.86 -0.54 -1.46 114.93 119.36 2w12 h MET 36 Ca 0.19 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2w12 h MET 36 Cb 0.22 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2w12 h MET 36 CO -0.01 0.98 0.35 -0.07 1.06 0.00 0.00 176.91 179.21 2w12 h LEU 37 N 0.89 0.68 -0.74 1.22 4.07 -0.68 0.20 115.31 120.94 2w12 h LEU 37 Ca 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2w12 h LEU 37 Cb 0.51 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 2w12 h LEU 37 CO 0.02 0.53 0.48 -1.13 -1.08 0.00 0.00 178.44 177.26 2w12 h ASN 38 N 0.76 0.86 -0.65 -0.43 -1.24 -0.83 0.13 115.58 114.19 2w12 h ASN 38 Ca 0.20 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 2w12 h ASN 38 Cb -0.03 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.78 2w12 h ASN 38 CO -0.04 0.64 0.18 0.74 -1.29 0.00 0.00 177.43 177.66 2w12 h THR 39 N 1.01 1.25 -0.34 -3.57 2.02 -0.52 -1.23 112.91 111.54 2w12 h THR 39 Ca 0.27 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2w12 h THR 39 Cb -0.09 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2w12 h THR 39 CO -0.06 0.34 0.20 0.58 0.37 0.00 0.00 175.52 176.96 2w12 h VAL 40 N 0.96 1.12 -0.61 3.16 2.07 0.28 -0.88 116.25 122.35 2w12 h VAL 40 Ca 0.21 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2w12 h VAL 40 Cb 0.33 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2w12 h VAL 40 CO -0.00 0.12 0.41 0.78 0.02 0.00 0.00 177.57 178.89 2w12 h ASN 41 N 0.44 0.69 -0.61 0.57 4.21 -0.51 -1.23 115.58 119.14 2w12 h ASN 41 Ca 0.12 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.61 2w12 h ASN 41 Cb 0.01 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.01 2w12 h ASN 41 CO -0.02 0.50 0.38 1.23 -1.29 0.00 0.00 177.43 178.23 2w12 h GLY 42 N 0.82 0.87 1.91 2.83 0.00 -0.40 -1.77 103.07 107.34 2w12 h GLY 42 Ca 0.23 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2w12 h GLY 42 CO -0.05 0.34 -0.14 0.74 0.00 0.00 0.00 176.54 177.43 2w12 h PHE 43 N 0.82 0.11 -0.01 5.60 0.04 -0.07 -2.89 116.94 120.54 2w12 h PHE 43 Ca 0.22 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2w12 h PHE 43 Cb -0.05 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.07 2w12 h PHE 43 CO -0.02 0.25 -0.28 0.66 -0.60 0.00 0.00 178.31 178.32 2w12 n TYR 44 N -4.32 0.00 -0.26 -0.55 4.01 -0.64 -4.06 117.16 111.34 2w12 n TYR 44 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 2w12 n TYR 44 Cb 0.24 -0.09 0.36 0.00 -0.31 0.00 0.00 39.34 39.54 2w12 n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2w12 h ARG 45 N 1.53 0.71 0.00 -0.72 3.08 -1.11 -2.17 114.38 115.70 2w12 h ARG 45 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2w12 h ARG 45 Cb 0.56 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2w12 h ARG 45 CO 0.00 0.47 -0.05 0.66 -1.07 0.00 0.00 179.97 179.98 2w12 h SER 46 N 0.73 0.00 -0.17 7.04 4.64 -1.79 -1.02 113.55 122.97 2w12 h SER 46 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2w12 h SER 46 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2w12 h SER 46 CO -0.19 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.15 2w12 n VAL 47 N -3.32 1.46 -3.15 0.95 0.24 -0.86 -4.93 118.33 108.71 2w12 n VAL 47 Ca -0.01 -1.43 -0.21 0.00 -2.04 0.00 0.00 64.34 60.65 2w12 n VAL 47 Cb 0.21 0.19 0.05 0.00 -1.47 0.00 0.00 33.84 32.82 2w12 n VAL 47 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2w12 n ASP 48 N -0.33 -5.79 -4.70 -1.34 -0.08 -0.39 -4.77 116.55 99.15 2w12 n ASP 48 Ca 0.12 -0.35 -0.35 0.00 -1.51 0.00 0.00 54.79 52.70 2w12 n ASP 48 Cb 0.53 -4.53 -0.09 0.00 2.34 0.00 0.00 41.12 39.37 2w12 n ASP 48 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2w12 s VAL 49 N -3.18 5.08 -0.10 5.18 1.01 -0.92 -1.29 120.40 126.18 2w12 s VAL 49 Ca 0.37 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2w12 s VAL 49 Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2w12 s VAL 49 CO 0.46 0.48 -0.19 -1.00 0.00 0.00 0.00 175.10 174.85 2w12 s HIS 50 N 0.13 2.65 -0.55 5.22 3.76 0.05 -4.29 115.29 122.27 2w12 s HIS 50 Ca 0.07 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.32 2w12 s HIS 50 Cb -0.12 -1.73 0.17 0.00 1.11 0.00 0.00 32.58 32.01 2w12 s HIS 50 CO -0.00 -0.21 0.41 0.00 -0.85 0.00 0.00 174.74 174.08 2w12 s ALA 51 N 0.10 2.57 0.60 -1.40 0.00 -1.26 0.14 121.76 122.51 2w12 s ALA 51 Ca -0.09 -3.11 -0.18 0.00 0.00 0.00 0.00 51.96 48.58 2w12 s ALA 51 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2w12 s ALA 51 CO 0.05 -2.04 1.19 -1.25 0.00 0.00 0.00 175.76 173.72 2w12 s PRO 52 N -0.65 2.94 -0.50 0.00 0.04 -1.21 -4.74 135.00 130.88 2w12 s PRO 52 Ca 0.29 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 2w12 s PRO 52 Cb -0.01 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2w12 s PRO 52 CO -0.18 -1.21 1.04 -1.17 0.04 0.00 0.00 177.00 175.52 2w12 s LEU 53 N -4.19 3.80 0.11 -3.56 2.96 -1.26 -0.86 118.68 115.69 2w12 s LEU 53 Ca 0.76 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.74 2w12 s LEU 53 Cb -0.29 -3.27 -0.13 0.00 0.50 0.00 0.00 46.19 43.01 2w12 s LEU 53 CO 0.34 -1.21 1.30 0.00 -1.32 0.00 0.00 176.35 175.46 2w12 h ALA 54 N 9.24 0.33 -1.67 5.97 0.00 0.12 -3.47 119.26 129.77 2w12 h ALA 54 Ca -0.24 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.08 2w12 h ALA 54 Cb 1.07 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.61 2w12 h ALA 54 CO 1.10 0.71 0.42 1.21 0.00 0.00 0.00 179.25 182.69 2w12 s ASN 55 N -7.12 -0.48 -0.18 0.00 3.84 -1.13 -5.01 114.94 104.86 2w12 s ASN 55 Ca -0.09 0.75 -0.00 0.00 0.21 0.00 0.00 52.86 53.73 2w12 s ASN 55 Cb 0.09 0.71 0.01 0.00 -0.55 0.00 0.00 41.25 41.50 2w12 s ASN 55 CO 0.89 -0.28 -0.15 -0.22 -2.79 0.00 0.00 177.10 174.56 2w12 s LEU 56 N -0.37 2.41 -0.11 3.21 2.96 -1.26 -1.06 118.68 124.46 2w12 s LEU 56 Ca -0.00 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2w12 s LEU 56 Cb -0.03 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2w12 s LEU 56 CO -0.01 0.02 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.29 2w12 s GLU 57 N 1.18 3.21 -0.12 1.98 2.12 -0.13 -5.00 118.70 121.95 2w12 s GLU 57 Ca 0.02 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 54.84 2w12 s GLU 57 Cb -0.14 -2.75 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2w12 s GLU 57 CO -0.07 0.46 -0.20 0.08 -0.54 0.00 0.00 175.26 174.99 2w12 s VAL 58 N -0.24 1.90 -1.32 3.70 1.01 -1.26 -0.56 120.40 123.64 2w12 s VAL 58 Ca 0.04 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2w12 s VAL 58 Cb -0.13 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.65 2w12 s VAL 58 CO 0.02 0.52 1.80 0.79 0.00 0.00 0.00 175.10 178.23 2w12 n TRP 59 N 4.01 4.44 0.45 5.22 8.01 0.12 -4.74 117.44 134.95 2w12 n TRP 59 Ca -0.20 -2.93 0.13 0.00 -1.31 0.00 0.00 57.50 53.19 2w12 n TRP 59 Cb 0.52 -2.54 0.43 0.00 -2.01 0.00 0.00 31.31 27.71 2w12 n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2w12 h SER 60 N 7.15 0.00 0.00 -0.99 4.64 -1.89 -3.21 113.55 119.25 2w12 h SER 60 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2w12 h SER 60 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2w12 h SER 60 CO 1.52 0.00 -0.10 0.29 -0.87 0.00 0.00 176.83 177.67 2w12 n LYS 61 N -2.49 0.05 -3.99 4.77 5.02 -1.26 -5.05 118.16 115.20 2w12 n LYS 61 Ca 0.04 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 2w12 n LYS 61 Cb 0.37 -0.53 -0.08 0.00 -0.02 0.00 0.00 35.03 34.77 2w12 n LYS 61 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2w12 s GLN 62 N -1.20 0.84 0.32 1.97 0.00 -1.26 -5.03 119.66 115.29 2w12 s GLN 62 Ca -0.03 -1.15 -0.29 0.00 -0.00 0.00 0.00 55.36 53.89 2w12 s GLN 62 Cb 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 33.01 33.20 2w12 s GLN 62 CO 0.04 -0.24 1.33 -0.51 0.00 0.00 0.00 175.29 175.91 2w12 s ASP 63 N -2.93 6.74 0.06 12.60 1.01 -1.26 -4.83 116.67 128.07 2w12 s ASP 63 Ca 0.11 2.69 0.25 0.00 0.71 0.00 0.00 52.55 56.31 2w12 s ASP 63 Cb 0.06 -2.65 0.50 0.00 1.01 0.00 0.00 42.92 41.85 2w12 s ASP 63 CO -0.07 -0.57 1.43 0.18 0.21 0.00 0.00 175.17 176.35 2w12 n LEU 64 N 1.05 0.55 -4.37 1.23 4.77 -1.26 -4.78 117.00 114.20 2w12 n LEU 64 Ca 0.01 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.97 2w12 n LEU 64 Cb 0.41 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2w12 n LEU 64 CO 0.59 0.02 -0.33 0.27 -1.33 0.00 0.00 177.39 176.61 2w12 s ILE 65 N -3.08 1.22 -0.37 -0.08 -4.36 -1.26 -5.08 121.20 108.18 2w12 s ILE 65 Ca 0.09 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 2w12 s ILE 65 Cb 0.16 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.47 2w12 s ILE 65 CO 0.69 -0.29 1.12 -0.75 0.24 0.00 0.00 174.94 175.96 2w12 s LYS 66 N -3.83 3.93 -0.55 0.37 2.47 -1.26 -4.97 119.74 115.90 2w12 s LYS 66 Ca 0.29 0.92 -0.26 0.00 -1.56 0.00 0.00 55.97 55.37 2w12 s LYS 66 Cb 0.05 -3.81 0.04 0.00 -1.46 0.00 0.00 37.83 32.65 2w12 s LYS 66 CO 0.10 -1.09 1.04 0.08 0.16 0.00 0.00 175.35 175.64 2w12 s VAL 67 N 4.02 4.25 0.20 4.02 1.01 -1.26 -4.85 120.40 127.79 2w12 s VAL 67 Ca 0.48 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 2w12 s VAL 67 Cb -0.11 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 2w12 s VAL 67 CO 0.22 -1.17 0.43 -1.10 0.00 0.00 0.00 175.10 173.47 2w12 s GLN 68 N 4.32 3.60 0.42 2.72 -0.21 -1.26 -5.00 119.66 124.25 2w12 s GLN 68 Ca 0.36 -0.13 0.16 0.00 0.02 0.00 0.00 55.36 55.77 2w12 s GLN 68 Cb -0.10 -2.79 0.93 0.00 1.00 0.00 0.00 33.01 32.04 2w12 s GLN 68 CO 0.23 0.38 1.91 0.87 -2.12 0.00 0.00 175.29 176.56 2w12 h LYS 69 N 2.30 0.00 -6.29 2.91 1.57 -1.95 -3.38 116.57 111.72 2w12 h LYS 69 Ca -0.47 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 2w12 h LYS 69 Cb 1.18 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 2w12 h LYS 69 CO 0.70 0.27 1.18 0.34 -0.57 0.00 0.00 179.45 181.37 2w12 s ASP 70 N -6.78 5.91 0.46 0.86 -1.08 -1.26 -0.30 116.67 114.48 2w12 s ASP 70 Ca -0.03 0.41 0.18 0.00 -0.52 0.00 0.00 52.55 52.59 2w12 s ASP 70 Cb 0.14 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 40.17 2w12 s ASP 70 CO 0.69 -1.86 2.00 0.77 0.52 0.00 0.00 175.17 177.29 2w12 h SER 71 N 12.13 0.00 -0.67 -0.34 4.64 -1.91 -1.69 113.55 125.71 2w12 h SER 71 Ca -0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2w12 h SER 71 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 2w12 h SER 71 CO 1.17 0.18 0.16 0.28 -0.87 0.00 0.00 176.83 177.75 2w12 h SER 72 N 0.00 1.02 -0.42 4.97 0.02 -1.93 0.10 113.55 117.31 2w12 h SER 72 Ca -0.00 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.62 2w12 h SER 72 Cb 0.35 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2w12 h SER 72 CO 0.02 0.99 -0.09 0.11 -1.14 0.00 0.00 176.83 176.73 2w12 h LYS 73 N 1.01 0.81 -0.65 3.45 1.57 -1.74 -1.84 116.57 119.18 2w12 h LYS 73 Ca 0.21 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2w12 h LYS 73 Cb 0.37 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2w12 h LYS 73 CO 0.00 0.92 0.23 1.15 -0.57 0.00 0.00 179.45 181.18 2w12 h THR 74 N 0.63 1.25 -0.57 -0.16 2.02 -1.08 -0.08 112.91 114.92 2w12 h THR 74 Ca 0.11 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.51 2w12 h THR 74 Cb 0.61 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2w12 h THR 74 CO 0.04 0.32 0.33 0.25 0.37 0.00 0.00 175.52 176.82 2w12 h LEU 75 N 0.93 0.51 -0.33 2.58 5.85 -0.68 0.17 115.31 124.33 2w12 h LEU 75 Ca 0.21 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2w12 h LEU 75 Cb 0.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2w12 h LEU 75 CO -0.01 0.35 0.05 0.50 -0.34 0.00 0.00 178.44 178.99 2w12 h LYS 76 N 0.64 0.56 -0.65 1.25 3.64 -0.94 -0.89 116.57 120.17 2w12 h LYS 76 Ca 0.24 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2w12 h LYS 76 Cb 0.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2w12 h LYS 76 CO -0.13 0.64 0.27 0.77 -2.27 0.00 0.00 179.45 178.74 2w12 h SER 77 N 0.39 0.89 -0.49 4.20 0.02 -0.72 -1.35 113.55 116.48 2w12 h SER 77 Ca 0.10 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 2w12 h SER 77 Cb 0.36 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2w12 h SER 77 CO 0.01 0.81 -0.01 0.15 -1.14 0.00 0.00 176.83 176.65 2w12 h PHE 78 N 0.91 0.99 -0.69 3.45 3.57 -0.40 -0.75 116.94 124.02 2w12 h PHE 78 Ca 0.22 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2w12 h PHE 78 Cb 0.19 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2w12 h PHE 78 CO 0.01 0.90 0.18 0.78 -2.23 0.00 0.00 178.31 177.95 2w12 h GLY 79 N 0.99 1.18 0.94 2.40 0.00 -0.89 0.28 103.07 107.97 2w12 h GLY 79 Ca 0.16 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 2w12 h GLY 79 CO 0.03 0.68 0.14 0.83 0.00 0.00 0.00 176.54 178.21 2w12 h GLU 80 N 1.03 0.61 -0.79 4.80 5.08 -1.00 -1.92 114.58 122.38 2w12 h GLU 80 Ca 0.22 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2w12 h GLU 80 Cb 0.35 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2w12 h GLU 80 CO -0.00 0.60 0.39 2.35 -1.00 0.00 0.00 179.01 181.34 2w12 h TRP 81 N 0.49 1.13 -0.55 4.33 7.01 -0.83 -1.14 115.95 126.40 2w12 h TRP 81 Ca 0.13 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2w12 h TRP 81 Cb 0.23 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 2w12 h TRP 81 CO 0.01 0.82 0.36 -0.09 -2.79 0.00 0.00 178.44 176.74 2w12 h ARG 82 N 1.11 0.70 -0.30 2.65 1.12 -0.20 0.32 114.38 119.79 2w12 h ARG 82 Ca 0.27 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.05 2w12 h ARG 82 Cb 0.11 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2w12 h ARG 82 CO -0.04 0.46 0.01 1.49 -3.11 0.00 0.00 179.97 178.79 2w12 h GLU 83 N 0.72 0.52 0.07 0.20 4.81 -1.21 0.79 114.58 120.48 2w12 h GLU 83 Ca 0.20 -0.16 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 2w12 h GLU 83 Cb -0.06 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.29 2w12 h GLU 83 CO -0.05 0.66 -0.83 -0.09 -0.73 0.00 0.00 179.01 177.97 2w12 h ARG 84 N 0.32 0.43 0.00 1.92 2.43 -0.96 -3.40 114.38 115.12 2w12 h ARG 84 Ca 0.09 -0.56 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 2w12 h ARG 84 Cb 0.42 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2w12 h ARG 84 CO 0.01 1.22 -1.34 -0.25 -1.51 0.00 0.00 179.97 178.10 2w12 n ASP 85 N -4.08 3.12 -0.03 -3.80 8.00 0.11 -4.63 116.55 115.22 2w12 n ASP 85 Ca -0.12 -0.02 -0.15 0.00 0.71 0.00 0.00 54.79 55.21 2w12 n ASP 85 Cb 0.80 -0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 41.67 2w12 n ASP 85 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2w12 h LEU 86 N -0.03 0.14 -0.66 0.64 5.85 -1.16 -3.33 115.31 116.75 2w12 h LEU 86 Ca -0.14 -0.89 0.11 0.00 0.84 0.00 0.00 57.88 57.81 2w12 h LEU 86 Cb 1.20 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 2w12 h LEU 86 CO -0.03 1.01 0.24 -0.07 -0.34 0.00 0.00 178.44 179.25 2w12 h LEU 87 N -0.71 0.20 -2.48 2.25 3.38 -1.03 0.11 115.31 117.03 2w12 h LEU 87 Ca -0.03 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2w12 h LEU 87 Cb 1.06 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2w12 h LEU 87 CO 0.04 0.10 -0.02 -0.65 0.09 0.00 0.00 178.44 178.00 2w12 h PRO 88 N 0.40 0.00 0.04 1.13 0.11 -1.79 -3.23 132.00 128.66 2w12 h PRO 88 Ca 0.35 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.09 2w12 h PRO 88 Cb 0.48 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.54 2w12 h PRO 88 CO -0.36 0.02 -2.22 0.54 -0.21 0.00 0.00 178.00 175.78 2w12 n ARG 89 N -3.53 0.69 -3.72 1.05 1.74 0.03 -4.91 116.66 108.01 2w12 n ARG 89 Ca -0.03 0.17 -0.22 0.00 -0.77 0.00 0.00 57.85 57.00 2w12 n ARG 89 Cb 0.12 -1.61 -0.18 0.00 -1.02 0.00 0.00 32.46 29.77 2w12 n ARG 89 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2w12 s ILE 90 N -2.54 0.16 -0.03 0.55 -5.25 0.16 -5.11 121.20 109.15 2w12 s ILE 90 Ca -0.22 0.16 -0.30 0.00 -0.99 0.00 0.00 60.65 59.29 2w12 s ILE 90 Cb 0.08 -0.43 -0.05 0.00 2.95 0.00 0.00 42.46 45.01 2w12 s ILE 90 CO 0.73 0.14 1.35 -0.44 -1.79 0.00 0.00 174.94 174.93 2w12 s SER 91 N 2.05 6.90 0.10 4.36 0.01 -1.26 -4.29 113.70 121.57 2w12 s SER 91 Ca 0.04 2.01 -0.26 0.00 1.31 0.00 0.00 55.95 59.05 2w12 s SER 91 Cb -0.13 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.62 2w12 s SER 91 CO -0.05 -0.69 0.86 -1.38 0.41 0.00 0.00 173.24 172.39 2w12 s HIS 92 N 2.49 -0.28 -0.10 2.43 -3.43 -1.26 -4.90 115.29 110.24 2w12 s HIS 92 Ca 0.61 0.04 0.19 0.00 -0.80 0.00 0.00 55.06 55.11 2w12 s HIS 92 Cb -0.29 0.59 -0.29 0.00 -1.43 0.00 0.00 32.58 31.17 2w12 s HIS 92 CO 0.24 -0.75 0.29 -0.25 -2.00 0.00 0.00 174.74 172.27 2w12 n ASP 93 N -0.36 0.24 -3.67 7.38 8.00 0.85 -4.97 116.55 124.02 2w12 n ASP 93 Ca -0.08 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 2w12 n ASP 93 Cb 0.62 1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 43.16 2w12 n ASP 93 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2w12 s HIS 94 N -3.02 -0.60 0.01 1.24 2.46 -1.04 -3.97 115.29 110.37 2w12 s HIS 94 Ca -0.08 1.39 0.06 0.00 0.47 0.00 0.00 55.06 56.89 2w12 s HIS 94 Cb 0.10 0.23 -0.02 0.00 -0.13 0.00 0.00 32.58 32.76 2w12 s HIS 94 CO 0.83 -0.35 -0.18 0.00 -2.47 0.00 0.00 174.74 172.58 2w12 s ALA 95 N -0.00 1.51 -0.07 1.58 0.00 -0.64 -1.27 121.76 122.87 2w12 s ALA 95 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2w12 s ALA 95 Cb -0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 2w12 s ALA 95 CO 0.02 0.35 -0.19 -0.65 0.00 0.00 0.00 175.76 175.29 2w12 s GLN 96 N -0.68 2.25 -0.18 0.00 -0.21 -0.31 -1.65 119.66 118.87 2w12 s GLN 96 Ca 0.06 -0.70 -0.25 0.00 0.02 0.00 0.00 55.36 54.50 2w12 s GLN 96 Cb -0.07 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 2w12 s GLN 96 CO 0.00 0.21 0.83 -1.17 -2.12 0.00 0.00 175.29 173.03 2w12 s LEU 97 N 0.21 4.16 -0.24 2.90 2.96 -0.63 -0.85 118.68 127.19 2w12 s LEU 97 Ca -0.10 1.14 -0.11 0.00 -0.22 0.00 0.00 54.13 54.83 2w12 s LEU 97 Cb -0.15 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 2w12 s LEU 97 CO 0.05 -0.42 0.20 -0.22 -1.32 0.00 0.00 176.35 174.64 2w12 s LEU 98 N 2.27 4.11 0.03 -0.68 2.96 0.12 0.20 118.68 127.69 2w12 s LEU 98 Ca 0.37 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.49 2w12 s LEU 98 Cb -0.16 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2w12 s LEU 98 CO 0.11 0.03 -0.12 0.28 -1.32 0.00 0.00 176.35 175.34 2w12 s THR 99 N 1.17 0.90 -1.68 3.68 -1.32 0.05 -1.19 115.64 117.25 2w12 s THR 99 Ca 0.09 -0.85 0.28 0.00 -1.21 0.00 0.00 61.69 60.00 2w12 s THR 99 Cb -0.14 -0.83 0.37 0.00 -1.51 0.00 0.00 72.50 70.39 2w12 s THR 99 CO 0.06 -0.01 1.73 0.00 -2.21 0.00 0.00 174.62 174.18 2w12 n ALA 100 N 2.08 2.90 -1.78 11.08 0.00 -1.26 -0.76 120.51 132.77 2w12 n ALA 100 Ca -0.18 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 2w12 n ALA 100 Cb 0.55 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 2w12 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2w12 s VAL 101 N -2.50 2.19 -0.90 0.00 1.01 -1.26 -4.92 120.40 114.02 2w12 s VAL 101 Ca 0.27 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 2w12 s VAL 101 Cb 0.20 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.52 2w12 s VAL 101 CO 0.50 0.04 1.30 -0.69 0.00 0.00 0.00 175.10 176.25 2w12 s VAL 102 N -1.01 4.07 0.69 2.92 1.01 -1.26 -4.85 120.40 121.97 2w12 s VAL 102 Ca 0.53 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 2w12 s VAL 102 Cb -0.45 -4.94 0.01 0.00 0.00 0.00 0.00 36.38 31.00 2w12 s VAL 102 CO 0.60 -1.79 1.23 0.49 0.00 0.00 0.00 175.10 175.63 2w12 n PHE 103 N 8.43 1.64 -1.79 5.22 3.72 -1.26 -4.71 117.46 128.71 2w12 n PHE 103 Ca 0.21 0.42 -0.37 0.00 -0.05 0.00 0.00 57.45 57.66 2w12 n PHE 103 Cb 0.50 -2.21 0.06 0.00 -0.94 0.00 0.00 39.48 36.88 2w12 n PHE 103 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2w12 s ASP 104 N -1.54 4.73 -1.29 4.37 1.01 0.59 -3.32 116.67 121.22 2w12 s ASP 104 Ca 0.80 2.59 0.00 0.00 0.71 0.00 0.00 52.55 56.65 2w12 s ASP 104 Cb -0.36 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 40.95 2w12 s ASP 104 CO 0.43 -1.92 0.00 0.61 0.21 0.00 0.00 175.17 174.50 2w12 n GLY 105 N 0.83 1.14 2.46 0.21 0.00 -1.26 -2.05 105.19 106.52 2w12 n GLY 105 Ca 0.15 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2w12 n GLY 105 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2w12 n ASN 106 N -0.06 -5.44 -4.72 1.61 4.05 -1.21 -4.95 115.26 104.53 2w12 n ASN 106 Ca -0.13 0.25 -0.42 0.00 0.45 0.00 0.00 54.58 54.73 2w12 n ASN 106 Cb 0.44 -4.68 -0.03 0.00 1.23 0.00 0.00 39.78 36.74 2w12 n ASN 106 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2w12 s THR 107 N -2.83 2.25 -0.67 -0.44 2.01 -0.87 -4.92 115.64 110.17 2w12 s THR 107 Ca 0.00 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.24 2w12 s THR 107 Cb 0.00 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.42 2w12 s THR 107 CO 0.00 0.02 0.60 2.30 -0.69 0.00 0.00 174.62 176.85 2w12 n ILE 108 N 3.69 0.00 -3.58 1.82 -5.35 -1.26 -4.27 119.36 110.40 2w12 n ILE 108 Ca 0.14 -0.48 -0.05 0.00 -0.27 0.00 0.00 62.75 62.09 2w12 n ILE 108 Cb 0.37 1.10 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 2w12 n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2w12 s GLY 109 N -0.70 -0.31 0.10 3.28 0.00 -1.26 -0.35 107.32 108.07 2w12 s GLY 109 Ca 0.06 1.56 -0.09 0.00 0.00 0.00 0.00 44.72 46.25 2w12 s GLY 109 CO 0.10 0.54 0.21 0.50 0.00 0.00 0.00 173.10 174.45 2w12 s ARG 110 N -2.44 0.89 0.12 2.90 1.81 0.09 -4.98 118.95 117.34 2w12 s ARG 110 Ca 0.08 -0.97 -0.24 0.00 -1.72 0.00 0.00 55.73 52.88 2w12 s ARG 110 Cb -0.01 0.35 0.07 0.00 -0.45 0.00 0.00 34.95 34.91 2w12 s ARG 110 CO -0.05 -0.29 0.61 0.00 -0.68 0.00 0.00 175.30 174.89 2w12 s ALA 111 N -3.87 -1.63 0.36 2.13 0.00 -1.26 -0.61 121.76 116.88 2w12 s ALA 111 Ca 0.06 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 2w12 s ALA 111 Cb 0.05 0.72 -0.09 0.00 0.00 0.00 0.00 23.12 23.80 2w12 s ALA 111 CO -0.10 -0.69 1.14 0.71 0.00 0.00 0.00 175.76 176.82 2w12 s TYR 112 N -3.27 3.24 -0.16 0.00 2.02 -1.22 -4.89 117.35 113.08 2w12 s TYR 112 Ca -0.01 1.60 -0.27 0.00 -0.37 0.00 0.00 57.07 58.02 2w12 s TYR 112 Cb -0.01 -3.34 -0.01 0.00 -0.40 0.00 0.00 41.96 38.20 2w12 s TYR 112 CO -0.09 -1.04 0.90 0.99 -1.57 0.00 0.00 175.55 174.74 2w12 s THR 113 N -1.36 4.84 -1.14 -0.71 2.01 -1.26 -2.72 115.64 115.29 2w12 s THR 113 Ca 0.53 1.78 0.00 0.00 0.31 0.00 0.00 61.69 64.31 2w12 s THR 113 Cb -0.30 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.01 2w12 s THR 113 CO 0.39 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2w12 n GLY 114 N 3.35 0.86 0.43 4.40 0.00 0.31 -4.88 105.19 109.66 2w12 n GLY 114 Ca 0.06 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.72 2w12 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w12 n GLY 115 N -1.41 -0.03 3.64 -0.02 0.00 -1.02 -4.88 105.19 101.47 2w12 n GLY 115 Ca -0.12 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 2w12 n GLY 115 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2w12 n MET 116 N 0.06 1.80 -0.14 1.61 1.56 -0.72 -0.97 117.12 120.32 2w12 n MET 116 Ca 0.17 0.64 0.00 0.00 -0.27 0.00 0.00 57.70 58.24 2w12 n MET 116 Cb 0.28 -2.29 0.00 0.00 2.15 0.00 0.00 33.22 33.36 2w12 n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2w12 s ASP 118 N -3.48 7.43 0.16 0.00 2.15 -0.14 -4.90 116.67 117.89 2w12 s ASP 118 Ca 0.00 2.11 -0.16 0.00 0.43 0.00 0.00 52.55 54.94 2w12 s ASP 118 Cb 0.00 -2.62 0.10 0.00 -0.30 0.00 0.00 42.92 40.10 2w12 s ASP 118 CO 0.00 -0.02 1.72 -0.65 -0.17 0.00 0.00 175.17 176.05 2w12 h PRO 119 N 4.10 0.18 0.00 4.34 0.11 -1.95 -1.26 132.00 137.53 2w12 h PRO 119 Ca -0.46 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2w12 h PRO 119 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2w12 h PRO 119 CO 0.68 0.12 -1.43 0.54 -0.21 0.00 0.00 178.00 177.69 2w12 n ARG 120 N -5.11 0.62 0.00 1.05 1.74 -1.26 -3.77 116.66 109.93 2w12 n ARG 120 Ca 0.02 0.19 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 2w12 n ARG 120 Cb 0.18 -1.79 0.09 0.00 -1.02 0.00 0.00 32.46 29.92 2w12 n ARG 120 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2w12 n HIS 121 N -2.84 0.00 -1.49 -1.55 8.25 -1.10 -4.32 115.22 112.17 2w12 n HIS 121 Ca -0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 2w12 n HIS 121 Cb 0.81 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.87 2w12 n HIS 121 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2w12 n SER 122 N 0.91 7.75 -3.95 0.41 2.88 -0.49 -4.35 113.62 116.78 2w12 n SER 122 Ca 0.13 -2.80 -0.08 0.00 -1.33 0.00 0.00 58.87 54.79 2w12 n SER 122 Cb 0.55 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 62.49 2w12 n SER 122 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2w12 s VAL 123 N 0.50 0.17 0.06 2.46 -7.23 -1.26 -1.62 120.40 113.48 2w12 s VAL 123 Ca 0.64 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 2w12 s VAL 123 Cb 0.23 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2w12 s VAL 123 CO -0.08 -0.76 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.11 2w12 s GLY 124 N -2.77 0.48 -0.00 2.32 0.00 -0.66 -3.42 107.32 103.27 2w12 s GLY 124 Ca 0.04 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.65 2w12 s GLY 124 CO -0.10 -1.28 -0.21 -1.34 0.00 0.00 0.00 173.10 170.17 2w12 s VAL 125 N -3.92 1.69 -0.05 1.40 -7.23 0.22 -1.60 120.40 110.90 2w12 s VAL 125 Ca 0.08 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2w12 s VAL 125 Cb 0.08 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.62 2w12 s VAL 125 CO -0.09 0.41 0.02 -0.69 -0.31 0.00 0.00 175.10 174.44 2w12 s VAL 126 N -0.58 0.18 0.15 1.32 1.01 0.13 -0.73 120.40 121.88 2w12 s VAL 126 Ca 0.08 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2w12 s VAL 126 Cb -0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 2w12 s VAL 126 CO -0.00 0.21 0.96 -0.60 0.00 0.00 0.00 175.10 175.67 2w12 s ARG 127 N 1.80 4.74 -1.26 2.72 3.52 0.52 -0.77 118.95 130.22 2w12 s ARG 127 Ca 0.01 1.47 -0.19 0.00 -0.13 0.00 0.00 55.73 56.90 2w12 s ARG 127 Cb -0.12 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 2w12 s ARG 127 CO -0.04 0.30 1.88 -3.47 -0.81 0.00 0.00 175.30 173.16 2w12 n ASP 128 N 2.38 4.17 0.00 -2.12 2.03 0.06 -4.74 116.55 118.34 2w12 n ASP 128 Ca 0.01 -2.84 0.11 0.00 0.52 0.00 0.00 54.79 52.59 2w12 n ASP 128 Cb 0.48 -1.69 0.02 0.00 -0.72 0.00 0.00 41.12 39.22 2w12 n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2w12 n HIS 129 N 9.32 0.05 -4.01 -0.67 1.44 -1.26 -4.87 115.22 115.22 2w12 n HIS 129 Ca 0.49 0.01 -0.13 0.00 -2.01 0.00 0.00 57.72 56.08 2w12 n HIS 129 Cb 0.45 -0.17 -0.13 0.00 0.12 0.00 0.00 29.99 30.25 2w12 n HIS 129 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2w12 s SER 130 N -3.21 0.35 0.33 4.39 0.01 -1.26 -5.04 113.70 109.28 2w12 s SER 130 Ca 0.08 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.18 2w12 s SER 130 Cb 0.16 -0.01 0.56 0.00 0.21 0.00 0.00 66.02 66.94 2w12 s SER 130 CO 0.81 -0.04 1.98 0.11 0.41 0.00 0.00 173.24 176.51 2w12 h LYS 131 N 5.72 0.90 -6.34 12.44 1.57 -2.03 -3.38 116.57 125.47 2w12 h LYS 131 Ca -0.28 -0.07 -0.57 0.00 -1.87 0.00 0.00 60.65 57.87 2w12 h LYS 131 Cb 1.20 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 2w12 h LYS 131 CO 0.48 0.62 0.90 1.21 -0.57 0.00 0.00 179.45 182.09 2w12 s ASN 132 N -6.43 6.83 0.29 0.86 3.84 -1.26 -4.88 114.94 114.19 2w12 s ASN 132 Ca -0.10 1.11 0.25 0.00 0.21 0.00 0.00 52.86 54.32 2w12 s ASN 132 Cb 0.17 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 39.37 2w12 s ASN 132 CO 0.78 -0.96 1.74 -0.55 -2.79 0.00 0.00 177.10 175.32 2w12 h ASN 133 N 8.56 0.00 -0.84 -4.21 7.08 -1.98 -2.33 115.58 121.86 2w12 h ASN 133 Ca -0.23 0.00 0.14 0.00 -3.08 0.00 0.00 56.30 53.13 2w12 h ASN 133 Cb 1.07 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.22 2w12 h ASN 133 CO 1.03 0.00 0.44 0.25 -2.08 0.00 0.00 177.43 177.07 2w12 h LEU 134 N 0.00 0.54 -0.06 6.14 5.85 -1.92 0.55 115.31 126.42 2w12 h LEU 134 Ca 0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2w12 h LEU 134 Cb 0.38 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2w12 h LEU 134 CO 0.00 0.24 -0.25 -0.50 -0.34 0.00 0.00 178.44 177.59 2w12 h TRP 135 N 0.64 0.00 -0.13 1.25 6.55 -1.78 -0.99 115.95 121.50 2w12 h TRP 135 Ca 0.45 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.08 2w12 h TRP 135 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.91 2w12 h TRP 135 CO -0.09 0.25 -0.76 0.28 -1.05 0.00 0.00 178.44 177.07 2w12 h VAL 136 N 0.00 1.31 -0.87 1.49 2.07 -1.51 -2.89 116.25 115.85 2w12 h VAL 136 Ca -0.00 -2.03 0.04 0.00 0.82 0.00 0.00 66.70 65.53 2w12 h VAL 136 Cb 1.17 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.90 2w12 h VAL 136 CO 0.03 0.63 0.55 0.00 0.02 0.00 0.00 177.57 178.81 2w12 h ALA 137 N 0.70 1.16 -0.58 1.67 0.00 -0.48 0.27 119.26 121.99 2w12 h ALA 137 Ca -0.04 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2w12 h ALA 137 Cb 1.37 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2w12 h ALA 137 CO 0.15 0.37 0.27 0.28 0.00 0.00 0.00 179.25 180.32 2w12 h VAL 138 N 1.06 0.89 -0.43 0.00 2.07 -1.18 0.29 116.25 118.96 2w12 h VAL 138 Ca 0.36 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2w12 h VAL 138 Cb 0.05 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2w12 h VAL 138 CO -0.13 0.09 0.24 0.74 0.02 0.00 0.00 177.57 178.53 2w12 h THR 139 N 0.51 1.15 -0.71 2.57 2.02 -1.10 0.11 112.91 117.47 2w12 h THR 139 Ca 0.27 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 67.15 2w12 h THR 139 Cb 0.24 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 2w12 h THR 139 CO -0.22 0.16 0.36 0.24 0.37 0.00 0.00 175.52 176.43 2w12 h MET 140 N 0.56 0.60 -0.33 6.66 2.86 -0.33 -0.16 114.93 124.80 2w12 h MET 140 Ca 0.15 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 2w12 h MET 140 Cb 0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2w12 h MET 140 CO -0.02 0.40 -0.26 0.00 1.06 0.00 0.00 176.91 178.09 2w12 h ALA 141 N 1.42 0.93 -0.25 6.32 0.00 -0.42 -1.23 119.26 126.03 2w12 h ALA 141 Ca 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2w12 h ALA 141 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2w12 h ALA 141 CO -0.25 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 180.85 2w12 h HIS 142 N 0.58 0.50 -0.40 0.00 6.17 -0.10 0.14 115.15 122.04 2w12 h HIS 142 Ca 0.08 -0.09 -0.13 0.00 0.71 0.00 0.00 60.37 60.93 2w12 h HIS 142 Cb 0.74 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.53 2w12 h HIS 142 CO 0.03 0.63 -0.29 0.93 0.71 0.00 0.00 177.93 179.94 2w12 h GLU 143 N 0.23 0.86 -0.41 5.26 4.39 -0.90 -1.76 114.58 122.24 2w12 h GLU 143 Ca 0.07 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 2w12 h GLU 143 Cb 0.44 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2w12 h GLU 143 CO 0.02 1.03 0.23 1.25 -1.16 0.00 0.00 179.01 180.38 2w12 h LEU 144 N 0.73 0.49 -0.24 1.33 5.85 -1.12 -2.41 115.31 119.93 2w12 h LEU 144 Ca 0.08 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2w12 h LEU 144 Cb 0.84 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2w12 h LEU 144 CO 0.07 0.39 0.13 1.23 -0.34 0.00 0.00 178.44 179.92 2w12 h GLY 145 N 0.63 0.37 0.54 3.75 0.00 -0.17 -1.38 103.07 106.81 2w12 h GLY 145 Ca 0.15 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.39 2w12 h GLY 145 CO -0.03 0.17 0.41 0.45 0.00 0.00 0.00 176.54 177.54 2w12 h HIS 146 N 0.28 0.74 0.00 5.60 3.86 -0.98 -0.64 115.15 124.01 2w12 h HIS 146 Ca 0.09 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2w12 h HIS 146 Cb 0.09 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 2w12 h HIS 146 CO -0.03 0.30 -0.08 -0.97 0.86 0.00 0.00 177.93 178.02 2w12 h ASN 147 N 0.70 0.00 -0.58 2.45 -0.00 -0.84 0.16 115.58 117.47 2w12 h ASN 147 Ca 0.36 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.45 2w12 h ASN 147 Cb 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 38.32 38.52 2w12 h ASN 147 CO -0.24 0.08 0.26 0.18 -0.00 0.00 0.00 177.43 177.71 2w12 n LEU 148 N -3.78 5.11 0.00 0.34 4.77 -0.36 -1.76 117.00 121.32 2w12 n LEU 148 Ca -0.02 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2w12 n LEU 148 Cb 0.18 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2w12 n LEU 148 CO 0.29 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2w12 n GLY 149 N -0.18 0.62 3.78 -0.72 0.00 0.20 -4.55 105.19 104.34 2w12 n GLY 149 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 2w12 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w12 s ILE 150 N -2.22 5.19 0.47 -0.61 1.01 -0.52 -4.65 121.20 119.87 2w12 s ILE 150 Ca 0.00 0.71 0.08 0.00 0.00 0.00 0.00 60.65 61.44 2w12 s ILE 150 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.81 2w12 s ILE 150 CO 0.00 0.47 0.49 -1.00 0.00 0.00 0.00 174.94 174.91 2w12 s HIS 151 N -0.26 2.33 0.47 3.97 3.76 -1.26 -3.70 115.29 120.60 2w12 s HIS 151 Ca 0.21 -0.57 -0.25 0.00 -0.15 0.00 0.00 55.06 54.31 2w12 s HIS 151 Cb -0.15 -2.18 -0.08 0.00 1.11 0.00 0.00 32.58 31.28 2w12 s HIS 151 CO 0.09 -0.42 1.43 -1.01 -0.85 0.00 0.00 174.74 173.98 2w12 s HIS 152 N -2.53 2.39 0.62 1.40 3.76 -1.26 -4.87 115.29 114.79 2w12 s HIS 152 Ca 0.50 1.27 -0.18 0.00 -0.15 0.00 0.00 55.06 56.49 2w12 s HIS 152 Cb -0.05 -3.93 -0.02 0.00 1.11 0.00 0.00 32.58 29.69 2w12 s HIS 152 CO 0.30 -3.02 1.25 -0.51 -0.85 0.00 0.00 174.74 171.90 2w12 s ASP 153 N -0.56 4.93 0.36 1.40 1.01 -0.47 -5.01 116.67 118.32 2w12 s ASP 153 Ca 0.63 2.49 0.02 0.00 0.71 0.00 0.00 52.55 56.40 2w12 s ASP 153 Cb -0.44 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 40.90 2w12 s ASP 153 CO 0.56 -1.78 0.16 0.35 0.21 0.00 0.00 175.17 174.66 2w12 n THR 154 N -1.73 0.00 -0.16 -1.27 -2.24 -1.26 -4.73 114.28 102.89 2w12 n THR 154 Ca 0.15 -1.54 0.01 0.00 -2.27 0.00 0.00 64.05 60.39 2w12 n THR 154 Cb 0.49 0.04 0.27 0.00 -2.10 0.00 0.00 70.33 69.03 2w12 n THR 154 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2w12 h GLY 155 N 0.61 0.93 2.00 3.38 0.00 -2.04 -1.94 103.07 106.00 2w12 h GLY 155 Ca -0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 2w12 h GLY 155 CO 0.41 0.37 -0.35 1.48 0.00 0.00 0.00 176.54 178.45 2w12 h SER 156 N 0.88 0.00 -3.95 0.19 4.64 -2.03 -3.45 113.55 109.83 2w12 h SER 156 Ca 0.23 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.00 2w12 h SER 156 Cb -0.04 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.19 2w12 h SER 156 CO -0.04 0.35 0.63 0.00 -0.87 0.00 0.00 176.83 176.89 2w12 s SER 158 N -0.71 0.20 0.26 0.00 1.04 -1.26 -4.90 113.70 108.33 2w12 s SER 158 Ca 0.67 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 2w12 s SER 158 Cb -0.44 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 2w12 s SER 158 CO 0.53 -0.57 0.33 0.00 0.98 0.00 0.00 173.24 174.52 2w12 n GLY 160 N -0.41 5.89 3.76 0.00 0.00 -1.26 -4.92 105.19 108.25 2w12 n GLY 160 Ca 0.01 -2.65 -0.06 0.00 0.00 0.00 0.00 46.02 43.32 2w12 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w12 s ALA 161 N -3.96 -1.47 0.23 4.61 0.00 -1.26 -4.83 121.76 115.07 2w12 s ALA 161 Ca 0.45 0.02 0.34 0.00 0.00 0.00 0.00 51.96 52.77 2w12 s ALA 161 Cb 0.27 0.74 1.79 0.00 0.00 0.00 0.00 23.12 25.92 2w12 s ALA 161 CO -0.18 -1.00 2.05 0.87 0.00 0.00 0.00 175.76 177.50 2w12 h LYS 162 N 2.00 0.00 -1.94 0.00 1.57 -1.80 -3.43 116.57 112.97 2w12 h LYS 162 Ca -0.22 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2w12 h LYS 162 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 2w12 h LYS 162 CO 0.26 0.00 0.21 0.45 -0.57 0.00 0.00 179.45 179.79 2w12 s SER 163 N -4.77 -0.67 -0.03 0.86 0.15 -0.91 -5.01 113.70 103.32 2w12 s SER 163 Ca -0.03 1.07 -0.12 0.00 0.70 0.00 0.00 55.95 57.58 2w12 s SER 163 Cb 0.10 1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 65.37 2w12 s SER 163 CO 0.35 -0.38 0.32 0.00 1.20 0.00 0.00 173.24 174.73 2w12 h ILE 165 N 3.71 1.19 -0.27 0.00 2.04 -1.34 -2.16 117.51 120.68 2w12 h ILE 165 Ca -0.52 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2w12 h ILE 165 Cb 1.22 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2w12 h ILE 165 CO 0.61 0.27 0.00 0.23 0.00 0.00 0.00 178.15 179.26 2w12 n MET 166 N -4.28 2.16 -1.73 2.37 2.81 -1.26 -4.69 117.12 112.50 2w12 n MET 166 Ca 0.01 -1.19 -0.41 0.00 -1.81 0.00 0.00 57.70 54.30 2w12 n MET 166 Cb 0.25 -1.53 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 2w12 n MET 166 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2w12 n ALA 167 N 0.32 1.76 0.52 3.04 0.00 -0.82 -1.37 120.51 123.97 2w12 n ALA 167 Ca 0.11 0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.98 2w12 n ALA 167 Cb 0.45 -2.33 0.44 0.00 0.00 0.00 0.00 19.45 18.01 2w12 n ALA 167 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2w12 n SER 168 N 0.34 0.78 -4.18 0.00 3.41 -1.26 -4.56 113.62 108.15 2w12 n SER 168 Ca 0.04 0.62 -0.32 0.00 -0.26 0.00 0.00 58.87 58.95 2w12 n SER 168 Cb 0.39 -0.81 -0.17 0.00 -0.26 0.00 0.00 64.21 63.36 2w12 n SER 168 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w12 s VAL 169 N -3.20 2.08 0.12 -3.33 1.01 -1.26 -5.10 120.40 110.72 2w12 s VAL 169 Ca 0.08 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 2w12 s VAL 169 Cb 0.11 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 2w12 s VAL 169 CO 0.52 0.55 1.39 -0.22 0.00 0.00 0.00 175.10 177.34 2w12 s LEU 170 N 0.73 4.37 -0.19 3.92 2.96 -1.26 -5.00 118.68 124.21 2w12 s LEU 170 Ca -0.09 2.33 -0.07 0.00 -0.22 0.00 0.00 54.13 56.08 2w12 s LEU 170 Cb -0.16 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2w12 s LEU 170 CO 0.00 -0.65 0.04 -0.55 -1.32 0.00 0.00 176.35 173.87 2w12 s SER 171 N 1.08 5.38 -0.68 3.68 0.15 -1.26 -5.07 113.70 116.99 2w12 s SER 171 Ca 0.64 -0.01 -0.19 0.00 0.70 0.00 0.00 55.95 57.10 2w12 s SER 171 Cb -0.37 -1.92 0.11 0.00 -1.71 0.00 0.00 66.02 62.14 2w12 s SER 171 CO 0.30 0.14 0.82 -0.54 1.20 0.00 0.00 173.24 175.16 2w12 s LYS 172 N 0.55 3.20 0.19 5.44 1.02 -1.26 -4.97 119.74 123.91 2w12 s LYS 172 Ca 0.02 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.61 2w12 s LYS 172 Cb -0.13 -4.38 -0.01 0.00 -0.52 0.00 0.00 37.83 32.78 2w12 s LYS 172 CO 0.01 -1.60 0.18 1.33 -0.92 0.00 0.00 175.35 174.36 2w12 n VAL 173 N 5.44 0.00 0.08 3.17 0.24 -1.26 -5.08 118.33 120.92 2w12 n VAL 173 Ca -0.01 -1.27 0.10 0.00 -2.04 0.00 0.00 64.34 61.12 2w12 n VAL 173 Cb 0.44 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 2w12 n VAL 173 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2w12 n LEU 174 N 0.00 0.73 -4.00 1.34 4.77 -1.26 -4.93 117.00 113.65 2w12 n LEU 174 Ca 0.03 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.10 2w12 n LEU 174 Cb 0.33 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2w12 n LEU 174 CO 0.17 -0.11 -0.44 -0.44 -1.33 0.00 0.00 177.39 175.24 2w12 s SER 175 N -5.31 1.17 0.03 -1.43 0.01 -1.26 -5.06 113.70 101.85 2w12 s SER 175 Ca -0.02 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2w12 s SER 175 Cb 0.10 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 2w12 s SER 175 CO 0.81 0.07 -0.03 -0.31 0.41 0.00 0.00 173.24 174.18 2w12 s TYR 176 N 0.15 0.35 0.11 2.43 2.02 -1.26 -2.14 117.35 119.00 2w12 s TYR 176 Ca -0.02 -0.61 -0.09 0.00 -0.37 0.00 0.00 57.07 55.97 2w12 s TYR 176 Cb -0.08 -0.24 -0.00 0.00 -0.40 0.00 0.00 41.96 41.23 2w12 s TYR 176 CO 0.00 -0.21 0.21 -2.00 -1.57 0.00 0.00 175.55 171.99 2w12 s GLU 177 N -1.88 0.92 0.09 -0.62 2.12 -0.86 -4.90 118.70 113.57 2w12 s GLU 177 Ca -0.12 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 53.91 2w12 s GLU 177 Cb -0.07 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.62 2w12 s GLU 177 CO -0.02 -0.31 0.99 -0.06 -0.54 0.00 0.00 175.26 175.32 2w12 s PHE 178 N -3.88 3.73 1.00 5.30 0.08 -1.26 -0.81 117.98 122.14 2w12 s PHE 178 Ca 0.08 1.73 -0.12 0.00 0.12 0.00 0.00 56.93 58.74 2w12 s PHE 178 Cb 0.04 -3.11 0.19 0.00 -0.57 0.00 0.00 43.02 39.57 2w12 s PHE 178 CO -0.08 -0.01 1.08 -1.54 -0.10 0.00 0.00 175.22 174.57 2w12 s SER 179 N 0.28 2.57 0.22 1.36 1.04 -1.26 -4.78 113.70 113.13 2w12 s SER 179 Ca 0.49 1.41 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 2w12 s SER 179 Cb -0.24 -2.09 0.29 0.00 0.10 0.00 0.00 66.02 64.08 2w12 s SER 179 CO 0.30 -3.19 1.82 -2.24 0.98 0.00 0.00 173.24 170.91 2w12 h ASP 180 N -1.93 0.66 -0.72 7.02 2.03 -1.67 -1.13 116.42 120.67 2w12 h ASP 180 Ca -0.54 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 55.77 2w12 h ASP 180 Cb 1.31 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.67 2w12 h ASP 180 CO 0.54 0.42 0.39 0.00 -1.03 0.00 0.00 179.24 179.56 2w12 h SER 182 N 1.00 0.81 -0.37 0.00 0.02 -1.72 0.11 113.55 113.40 2w12 h SER 182 Ca 0.25 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2w12 h SER 182 Cb 0.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2w12 h SER 182 CO -0.04 0.74 0.02 1.56 -1.14 0.00 0.00 176.83 177.97 2w12 h GLN 183 N 0.83 0.73 -0.46 3.45 4.20 -0.88 0.03 115.11 123.01 2w12 h GLN 183 Ca 0.20 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2w12 h GLN 183 Cb 0.16 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2w12 h GLN 183 CO -0.02 0.73 0.10 -0.91 -0.67 0.00 0.00 178.83 178.06 2w12 h ASN 184 N 0.69 0.70 -0.31 1.46 2.35 -0.67 -0.88 115.58 118.92 2w12 h ASN 184 Ca 0.14 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 2w12 h ASN 184 Cb 0.40 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2w12 h ASN 184 CO 0.01 0.76 -0.14 1.56 -1.65 0.00 0.00 177.43 177.97 2w12 h GLN 185 N 0.61 0.76 -0.12 0.81 4.20 -0.45 0.35 115.11 121.27 2w12 h GLN 185 Ca 0.14 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2w12 h GLN 185 Cb 0.34 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2w12 h GLN 185 CO 0.00 0.86 0.07 -0.92 -0.67 0.00 0.00 178.83 178.17 2w12 h TYR 186 N 0.68 0.16 -0.37 2.96 3.20 -0.78 0.98 116.97 123.80 2w12 h TYR 186 Ca 0.11 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2w12 h TYR 186 Cb 0.62 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2w12 h TYR 186 CO 0.03 0.17 0.22 1.49 -1.64 0.00 0.00 178.16 178.42 2w12 h GLU 187 N 0.11 0.43 -0.91 1.82 4.81 -0.89 -0.12 114.58 119.82 2w12 h GLU 187 Ca 0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2w12 h GLU 187 Cb 0.06 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 2w12 h GLU 187 CO -0.01 0.28 0.58 1.15 -0.73 0.00 0.00 179.01 180.28 2w12 h THR 188 N 0.44 1.09 -0.21 0.32 2.02 -0.65 0.25 112.91 116.17 2w12 h THR 188 Ca 0.15 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2w12 h THR 188 Cb 0.01 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 2w12 h THR 188 CO -0.07 0.20 0.12 0.22 0.37 0.00 0.00 175.52 176.36 2w12 h TYR 189 N 1.08 0.28 -0.56 3.16 3.20 -0.07 -0.78 116.97 123.28 2w12 h TYR 189 Ca 0.39 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 2w12 h TYR 189 Cb 0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2w12 h TYR 189 CO -0.02 0.23 0.22 -0.07 -1.64 0.00 0.00 178.16 176.88 2w12 h LEU 190 N 0.25 0.77 -0.64 2.82 3.38 -0.55 -0.30 115.31 121.04 2w12 h LEU 190 Ca 0.07 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2w12 h LEU 190 Cb 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2w12 h LEU 190 CO -0.01 0.73 0.40 0.74 0.09 0.00 0.00 178.44 180.39 2w12 h THR 191 N 0.76 1.09 0.00 0.22 2.02 -0.61 0.30 112.91 116.69 2w12 h THR 191 Ca 0.19 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2w12 h THR 191 Cb 0.20 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2w12 h THR 191 CO -0.01 0.14 -0.61 0.59 0.37 0.00 0.00 175.52 176.00 2w12 n ASN 192 N -4.70 0.60 0.00 4.18 3.02 -0.33 -4.45 115.26 113.58 2w12 n ASN 192 Ca 0.06 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2w12 n ASN 192 Cb 0.07 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2w12 n ASN 192 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2w12 n HIS 193 N -1.85 0.00 -4.05 3.10 8.25 -0.14 -5.06 115.22 115.47 2w12 n HIS 193 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 2w12 n HIS 193 Cb 0.40 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.52 2w12 n HIS 193 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2w12 n ASN 194 N -2.04 -3.77 -4.73 0.41 3.02 0.10 -4.79 115.26 103.47 2w12 n ASN 194 Ca 0.00 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.87 2w12 n ASN 194 Cb 0.44 -1.92 -0.03 0.00 -0.61 0.00 0.00 39.78 37.66 2w12 n ASN 194 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2w12 s PRO 195 N -7.24 4.22 0.19 3.52 0.04 -1.26 -4.87 135.00 129.60 2w12 s PRO 195 Ca 0.44 2.36 0.12 0.00 0.04 0.00 0.00 61.00 63.97 2w12 s PRO 195 Cb -0.23 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 2w12 s PRO 195 CO 0.96 -0.57 1.29 1.96 0.04 0.00 0.00 177.00 180.69 2w12 h GLN 196 N 6.28 0.00 0.00 4.56 4.20 -1.94 -3.25 115.11 124.97 2w12 h GLN 196 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2w12 h GLN 196 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2w12 h GLN 196 CO 0.88 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 179.70 2w12 n ILE 198 N -1.42 0.96 -4.46 0.00 -5.35 -1.22 -4.87 119.36 103.00 2w12 n ILE 198 Ca 0.06 -0.98 -0.33 0.00 -0.27 0.00 0.00 62.75 61.23 2w12 n ILE 198 Cb 0.18 0.53 -0.10 0.00 -1.74 0.00 0.00 39.64 38.51 2w12 n ILE 198 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2w12 s LEU 199 N -1.00 3.25 0.72 7.28 1.43 -0.92 -0.69 118.68 128.74 2w12 s LEU 199 Ca 0.27 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2w12 s LEU 199 Cb 0.14 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.60 2w12 s LEU 199 CO 0.18 0.30 1.03 0.20 0.23 0.00 0.00 176.35 178.30 2w12 s ASN 200 N -1.29 4.77 0.48 2.29 0.01 -1.26 -4.99 114.94 114.95 2w12 s ASN 200 Ca 0.16 0.48 -0.24 0.00 -0.71 0.00 0.00 52.86 52.55 2w12 s ASN 200 Cb -0.11 -1.11 -0.08 0.00 0.41 0.00 0.00 41.25 40.37 2w12 s ASN 200 CO 0.06 -1.64 1.38 0.29 -1.51 0.00 0.00 177.10 175.68 2w12 n LYS 201 N -2.97 2.02 0.00 -0.60 5.02 -1.26 -5.16 118.16 115.22 2w12 n LYS 201 Ca 0.08 0.73 0.06 0.00 -2.02 0.00 0.00 58.31 57.16 2w12 n LYS 201 Cb 0.61 -2.57 0.38 0.00 -0.02 0.00 0.00 35.03 33.42 2w12 n LYS 201 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53