#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nna h SER 0 N 0.00 0.61 1.01 1.61 0.87 -2.05 -1.91 113.55 113.68 2nna h SER 0 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2nna h SER 0 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2nna h SER 0 CO 0.00 0.40 0.00 0.54 -0.53 0.00 0.00 176.83 177.24 2nna n ARG 1 N -4.48 0.22 -0.33 2.24 1.74 -1.26 -3.19 116.66 111.61 2nna n ARG 1 Ca 0.10 0.34 0.08 0.00 -0.77 0.00 0.00 57.85 57.60 2nna n ARG 1 Cb 0.23 -1.84 0.16 0.00 -1.02 0.00 0.00 32.46 29.99 2nna n ARG 1 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2nna n ASP 2 N -2.23 2.00 -4.80 0.55 5.75 -0.75 -5.05 116.55 112.02 2nna n ASP 2 Ca 0.03 -3.37 -0.30 0.00 -0.01 0.00 0.00 54.79 51.14 2nna n ASP 2 Cb 0.30 -0.46 0.09 0.00 -1.03 0.00 0.00 41.12 40.02 2nna n ASP 2 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2nna s SER 3 N -2.96 4.59 0.57 -1.12 1.04 -1.05 -4.79 113.70 109.99 2nna s SER 3 Ca 0.34 1.40 -0.21 0.00 0.48 0.00 0.00 55.95 57.96 2nna s SER 3 Cb 0.31 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 2nna s SER 3 CO -0.02 -1.92 1.33 -2.84 0.98 0.00 0.00 173.24 170.77 2nna s PRO 4 N -5.11 2.98 0.31 4.02 0.02 -1.26 -4.96 135.00 131.00 2nna s PRO 4 Ca 0.60 2.16 -0.27 0.00 0.02 0.00 0.00 61.00 63.51 2nna s PRO 4 Cb -0.15 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.15 2nna s PRO 4 CO 0.55 -1.29 1.03 -2.00 -0.33 0.00 0.00 177.00 174.96 2nna s GLU 5 N -3.06 4.54 -0.08 5.54 2.12 -1.26 -5.05 118.70 121.45 2nna s GLU 5 Ca 0.75 1.59 -0.05 0.00 0.36 0.00 0.00 54.97 57.62 2nna s GLU 5 Cb -0.39 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.08 2nna s GLU 5 CO 0.44 0.18 0.20 0.34 -0.54 0.00 0.00 175.26 175.88 2nna s ASP 6 N -1.25 -0.19 -0.17 -1.70 3.68 -1.26 -5.13 116.67 110.64 2nna s ASP 6 Ca 0.49 0.41 -0.01 0.00 2.13 0.00 0.00 52.55 55.57 2nna s ASP 6 Cb -0.26 0.33 -0.00 0.00 -1.45 0.00 0.00 42.92 41.54 2nna s ASP 6 CO 0.33 -0.13 -0.13 -0.36 0.13 0.00 0.00 175.17 175.01 2nna s PHE 7 N 0.86 2.84 -0.06 -5.34 0.08 -1.26 -5.09 117.98 110.02 2nna s PHE 7 Ca -0.06 -1.04 0.04 0.00 0.12 0.00 0.00 56.93 55.98 2nna s PHE 7 Cb -0.08 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2nna s PHE 7 CO -0.05 -0.51 -0.17 0.08 -0.10 0.00 0.00 175.22 174.48 2nna s VAL 8 N 1.00 2.82 -0.01 -0.44 1.01 -1.26 -5.01 120.40 118.51 2nna s VAL 8 Ca -0.01 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2nna s VAL 8 Cb -0.15 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2nna s VAL 8 CO -0.02 0.58 -0.20 -0.47 0.00 0.00 0.00 175.10 174.98 2nna s TYR 9 N -0.50 1.82 -0.00 5.22 5.04 -1.26 0.51 117.35 128.17 2nna s TYR 9 Ca 0.06 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.37 2nna s TYR 9 Cb -0.12 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 41.03 2nna s TYR 9 CO 0.01 -0.01 -0.06 -0.65 -1.34 0.00 0.00 175.55 173.50 2nna s GLN 10 N -0.58 0.50 -0.12 4.97 -0.21 -0.28 -4.97 119.66 118.98 2nna s GLN 10 Ca 0.08 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.21 2nna s GLN 10 Cb -0.08 -0.48 0.03 0.00 1.00 0.00 0.00 33.01 33.49 2nna s GLN 10 CO -0.00 0.13 -0.03 0.12 -2.12 0.00 0.00 175.29 173.38 2nna s PHE 11 N -0.17 1.21 -0.22 0.91 5.36 -1.26 -0.78 117.98 123.03 2nna s PHE 11 Ca 0.02 -0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 55.34 2nna s PHE 11 Cb -0.03 -1.09 0.01 0.00 -0.34 0.00 0.00 43.02 41.58 2nna s PHE 11 CO -0.00 -0.49 -0.10 0.15 -1.46 0.00 0.00 175.22 173.32 2nna s LYS 12 N 1.80 3.05 -0.43 10.12 1.02 -0.38 -4.96 119.74 129.96 2nna s LYS 12 Ca 0.03 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 2nna s LYS 12 Cb -0.13 -2.86 0.06 0.00 -0.52 0.00 0.00 37.83 34.37 2nna s LYS 12 CO -0.07 -0.28 0.32 0.20 -0.92 0.00 0.00 175.35 174.60 2nna s GLY 13 N 1.36 2.01 0.04 -3.33 0.00 -1.26 -0.17 107.32 105.98 2nna s GLY 13 Ca 0.03 -1.98 0.08 0.00 0.00 0.00 0.00 44.72 42.85 2nna s GLY 13 CO -0.07 0.98 -0.20 1.06 0.00 0.00 0.00 173.10 174.87 2nna s MET 14 N 1.60 2.00 -0.02 2.90 1.00 -0.51 -5.00 119.30 121.27 2nna s MET 14 Ca 0.04 -1.02 0.08 0.00 0.00 0.00 0.00 55.69 54.79 2nna s MET 14 Cb -0.22 -2.14 -0.02 0.00 0.00 0.00 0.00 34.83 32.45 2nna s MET 14 CO 0.06 0.53 -0.26 0.00 0.00 0.00 0.00 175.02 175.36 2nna s TYR 16 N -0.62 2.68 -0.09 0.00 1.51 0.25 -4.99 117.35 116.08 2nna s TYR 16 Ca 0.10 -1.57 0.02 0.00 -1.01 0.00 0.00 57.07 54.61 2nna s TYR 16 Cb -0.10 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2nna s TYR 16 CO -0.01 -0.78 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.42 2nna s PHE 17 N 1.31 2.68 0.01 2.71 0.08 -1.26 -1.34 117.98 122.16 2nna s PHE 17 Ca 0.05 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2nna s PHE 17 Cb -0.13 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2nna s PHE 17 CO -0.12 -0.15 -0.03 0.99 -0.10 0.00 0.00 175.22 175.80 2nna s THR 18 N 0.01 0.18 -0.97 0.64 2.01 -0.69 -4.92 115.64 111.90 2nna s THR 18 Ca -0.06 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 2nna s THR 18 Cb -0.15 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 2nna s THR 18 CO 0.05 -0.19 0.72 0.59 -0.69 0.00 0.00 174.62 175.10 2nna n ASN 19 N 2.38 -5.73 0.00 3.53 3.02 -1.26 -1.88 115.26 115.32 2nna n ASN 19 Ca -0.17 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2nna n ASN 19 Cb 0.57 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 2nna n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nna n GLY 20 N -1.70 4.41 0.76 7.41 0.00 -1.26 -1.06 105.19 113.74 2nna n GLY 20 Ca -0.13 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2nna n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nna n THR 21 N 0.00 0.00 -0.02 2.61 -1.04 -1.26 -4.58 114.28 109.99 2nna n THR 21 Ca 0.00 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.05 61.49 2nna n THR 21 Cb 0.00 1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 69.88 2nna n THR 21 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2nna h GLU 22 N 3.72 -0.20 -5.25 -2.82 4.81 -1.20 -3.41 114.58 110.23 2nna h GLU 22 Ca 0.00 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.57 2nna h GLU 22 Cb 0.86 0.05 -0.31 0.00 0.63 0.00 0.00 28.75 29.97 2nna h GLU 22 CO 0.00 -0.13 -0.83 1.03 -0.73 0.00 0.00 179.01 178.34 2nna s ARG 23 N -6.13 3.16 -0.01 1.92 0.52 -0.79 -5.04 118.95 112.57 2nna s ARG 23 Ca -0.14 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2nna s ARG 23 Cb 0.11 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2nna s ARG 23 CO 0.68 0.08 -0.06 0.08 0.02 0.00 0.00 175.30 176.10 2nna s VAL 24 N 0.63 0.49 -0.04 3.52 1.01 -1.26 -1.71 120.40 123.05 2nna s VAL 24 Ca -0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2nna s VAL 24 Cb -0.16 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2nna s VAL 24 CO 0.03 0.16 0.20 -0.60 0.00 0.00 0.00 175.10 174.89 2nna s ARG 25 N 0.15 0.42 0.07 2.72 3.52 -0.45 -4.99 118.95 120.38 2nna s ARG 25 Ca -0.02 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 55.59 2nna s ARG 25 Cb -0.06 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 2nna s ARG 25 CO -0.00 -0.09 -0.15 -0.48 -0.81 0.00 0.00 175.30 173.77 2nna s LEU 26 N -0.71 2.25 -0.08 -0.88 0.05 -1.26 0.86 118.68 118.92 2nna s LEU 26 Ca -0.08 -0.58 -0.03 0.00 0.05 0.00 0.00 54.13 53.49 2nna s LEU 26 Cb -0.05 -0.57 0.04 0.00 -2.05 0.00 0.00 46.19 43.57 2nna s LEU 26 CO 0.01 -0.04 0.13 -0.69 -0.55 0.00 0.00 176.35 175.21 2nna s VAL 27 N -1.16 -0.21 -0.16 1.48 1.01 -0.02 -1.60 120.40 119.74 2nna s VAL 27 Ca -0.00 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 2nna s VAL 27 Cb -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2nna s VAL 27 CO 0.02 0.13 0.12 0.42 0.00 0.00 0.00 175.10 175.79 2nna s THR 28 N 2.25 5.30 -0.11 3.92 -4.23 -0.35 -1.42 115.64 121.00 2nna s THR 28 Ca 0.04 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2nna s THR 28 Cb -0.12 -3.36 0.01 0.00 1.34 0.00 0.00 72.50 70.36 2nna s THR 28 CO -0.05 0.52 -0.21 -0.13 -0.54 0.00 0.00 174.62 174.21 2nna s ARG 29 N -0.24 2.83 -0.32 3.99 0.52 0.77 -1.76 118.95 124.74 2nna s ARG 29 Ca 0.10 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 2nna s ARG 29 Cb -0.12 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.14 2nna s ARG 29 CO 0.01 0.09 0.16 0.71 0.02 0.00 0.00 175.30 176.28 2nna s TYR 30 N 0.57 3.19 -0.12 -0.53 1.51 -0.07 -1.25 117.35 120.66 2nna s TYR 30 Ca -0.14 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 2nna s TYR 30 Cb -0.17 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 2nna s TYR 30 CO 0.04 -0.52 -0.18 0.42 -1.11 0.00 0.00 175.55 174.20 2nna s ILE 31 N 1.58 2.59 -0.33 2.71 1.01 0.04 -0.53 121.20 128.27 2nna s ILE 31 Ca 0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 2nna s ILE 31 Cb -0.18 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.27 2nna s ILE 31 CO 0.06 0.54 0.12 -0.47 0.00 0.00 0.00 174.94 175.19 2nna s TYR 32 N 0.34 3.21 0.00 3.97 5.04 0.12 -1.12 117.35 128.91 2nna s TYR 32 Ca -0.15 -1.15 0.00 0.00 -2.44 0.00 0.00 57.07 53.33 2nna s TYR 32 Cb -0.17 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 39.84 2nna s TYR 32 CO 0.07 -0.65 0.00 0.09 -1.34 0.00 0.00 175.55 173.72 2nna n ASN 33 N 4.87 0.00 -0.01 4.32 5.03 0.18 -0.75 115.26 128.90 2nna n ASN 33 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2nna n ASN 33 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2nna n ASN 33 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2nna n ARG 34 N 0.00 2.70 -3.39 3.52 1.74 -1.26 -4.80 116.66 115.17 2nna n ARG 34 Ca 0.00 -1.44 -0.42 0.00 -0.77 0.00 0.00 57.85 55.23 2nna n ARG 34 Cb 0.00 -1.01 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 2nna n ARG 34 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2nna s GLU 35 N -0.93 3.34 -0.38 5.56 2.12 0.07 -5.03 118.70 123.45 2nna s GLU 35 Ca 0.01 -0.62 -0.29 0.00 0.36 0.00 0.00 54.97 54.43 2nna s GLU 35 Cb 0.00 -3.88 0.01 0.00 0.26 0.00 0.00 34.13 30.53 2nna s GLU 35 CO 0.00 -0.65 1.25 -2.00 -0.54 0.00 0.00 175.26 173.32 2nna s GLU 36 N 2.00 3.81 -0.02 4.30 2.12 -1.26 0.11 118.70 129.75 2nna s GLU 36 Ca 0.11 0.96 0.21 0.00 0.36 0.00 0.00 54.97 56.61 2nna s GLU 36 Cb -0.17 -3.90 -0.30 0.00 0.26 0.00 0.00 34.13 30.02 2nna s GLU 36 CO 0.12 -1.26 0.51 2.48 -0.54 0.00 0.00 175.26 176.57 2nna n TYR 37 N 7.84 0.00 -3.69 5.30 4.11 0.31 -4.28 117.16 126.74 2nna n TYR 37 Ca 0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.90 2nna n TYR 37 Cb 0.48 -0.40 -0.08 0.00 -0.00 0.00 0.00 39.34 39.34 2nna n TYR 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2nna s ALA 38 N -3.35 -1.04 0.18 -3.48 0.00 -1.18 -0.02 121.76 112.87 2nna s ALA 38 Ca -0.05 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 52.30 2nna s ALA 38 Cb 0.13 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2nna s ALA 38 CO 0.85 -0.30 0.50 -0.98 0.00 0.00 0.00 175.76 175.83 2nna s ARG 39 N -1.38 1.32 -0.09 0.00 1.70 -0.51 -0.89 118.95 119.10 2nna s ARG 39 Ca -0.12 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.32 2nna s ARG 39 Cb -0.04 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 2nna s ARG 39 CO 0.05 -0.55 -0.09 0.12 -1.08 0.00 0.00 175.30 173.75 2nna s PHE 40 N -3.86 1.39 -0.19 5.89 5.36 -0.72 -0.35 117.98 125.50 2nna s PHE 40 Ca 0.08 -0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 55.45 2nna s PHE 40 Cb -0.00 -1.10 0.01 0.00 -0.34 0.00 0.00 43.02 41.58 2nna s PHE 40 CO -0.05 -0.38 -0.14 0.34 -1.46 0.00 0.00 175.22 173.53 2nna s ASP 41 N 1.19 3.59 0.61 6.13 -1.08 -1.26 -1.21 116.67 124.63 2nna s ASP 41 Ca -0.05 -0.54 0.32 0.00 -0.52 0.00 0.00 52.55 51.75 2nna s ASP 41 Cb -0.14 -1.58 1.82 0.00 -1.46 0.00 0.00 42.92 41.56 2nna s ASP 41 CO -0.02 -0.00 2.14 0.77 0.52 0.00 0.00 175.17 178.58 2nna h SER 42 N 7.96 0.00 1.09 -0.34 4.64 -1.68 0.32 113.55 125.55 2nna h SER 42 Ca -0.43 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.78 2nna h SER 42 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2nna h SER 42 CO 0.62 0.00 -0.52 0.44 -0.87 0.00 0.00 176.83 176.50 2nna h ASP 43 N 0.00 0.00 0.12 4.97 3.32 -1.95 -3.23 116.42 119.66 2nna h ASP 43 Ca 0.05 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.78 2nna h ASP 43 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2nna h ASP 43 CO -0.00 0.52 -1.69 0.58 -1.72 0.00 0.00 179.24 176.93 2nna h VAL 44 N 0.00 0.85 0.00 -1.35 2.07 -0.96 -3.49 116.25 113.37 2nna h VAL 44 Ca -0.01 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2nna h VAL 44 Cb 1.21 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2nna h VAL 44 CO 0.07 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.04 2nna n GLY 45 N 1.83 1.03 3.18 2.17 0.00 0.78 -5.03 105.19 109.15 2nna n GLY 45 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2nna n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nna s VAL 46 N -2.67 0.14 0.29 1.61 -7.23 -1.26 -4.98 120.40 106.31 2nna s VAL 46 Ca 0.00 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 2nna s VAL 46 Cb 0.00 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 2nna s VAL 46 CO 0.00 -0.65 1.08 -0.31 -0.31 0.00 0.00 175.10 174.91 2nna s TYR 47 N -3.94 3.58 0.01 2.82 1.51 -1.26 -4.15 117.35 115.91 2nna s TYR 47 Ca 0.12 1.71 0.04 0.00 -1.01 0.00 0.00 57.07 57.93 2nna s TYR 47 Cb 0.06 -3.24 -0.01 0.00 -0.11 0.00 0.00 41.96 38.66 2nna s TYR 47 CO -0.06 -0.48 -0.11 1.03 -1.11 0.00 0.00 175.55 174.82 2nna s ARG 48 N -1.55 0.85 0.11 -0.62 1.81 0.53 -4.88 118.95 115.21 2nna s ARG 48 Ca 0.46 -0.52 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 2nna s ARG 48 Cb -0.30 -0.82 -0.06 0.00 -0.45 0.00 0.00 34.95 33.31 2nna s ARG 48 CO 0.39 0.22 1.01 0.00 -0.68 0.00 0.00 175.30 176.24 2nna s ALA 49 N -0.52 3.28 -0.20 2.13 0.00 -1.26 -1.42 121.76 123.76 2nna s ALA 49 Ca 0.02 0.65 0.12 0.00 0.00 0.00 0.00 51.96 52.75 2nna s ALA 49 Cb -0.06 -3.31 -0.23 0.00 0.00 0.00 0.00 23.12 19.52 2nna s ALA 49 CO 0.00 -0.12 0.05 0.28 0.00 0.00 0.00 175.76 175.97 2nna n VAL 50 N 2.87 1.45 -4.36 0.00 0.31 0.97 -4.93 118.33 114.64 2nna n VAL 50 Ca 0.03 -0.77 -0.19 0.00 -0.01 0.00 0.00 64.34 63.40 2nna n VAL 50 Cb 0.48 -0.81 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 2nna n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2nna s THR 51 N -2.51 0.40 0.34 2.52 -4.23 -1.13 -4.98 115.64 106.05 2nna s THR 51 Ca -0.17 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.64 2nna s THR 51 Cb 0.07 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.70 2nna s THR 51 CO 0.77 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 176.10 2nna h PRO 52 N 2.17 0.00 0.00 3.99 0.11 -1.95 -0.65 132.00 135.67 2nna h PRO 52 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2nna h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2nna h PRO 52 CO 0.53 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.25 2nna h LEU 53 N 0.00 0.00 0.00 2.35 3.38 -1.96 -3.36 115.31 115.73 2nna h LEU 53 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2nna h LEU 53 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2nna h LEU 53 CO 0.00 0.00 -0.95 1.23 0.09 0.00 0.00 178.44 178.81 2nna h GLY 54 N 3.76 0.00 -0.39 0.83 0.00 -1.13 -3.40 103.07 102.73 2nna h GLY 54 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 2nna h GLY 54 CO 0.00 0.00 -0.13 -2.55 0.00 0.00 0.00 176.54 173.86 2nna h PRO 55 N 0.00 0.03 -0.57 4.80 0.11 -1.71 -0.36 132.00 134.29 2nna h PRO 55 Ca -0.05 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.09 2nna h PRO 55 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2nna h PRO 55 CO 0.02 0.02 0.38 -1.35 -0.21 0.00 0.00 178.00 176.85 2nna h PRO 56 N 0.03 0.65 0.10 1.05 0.11 -1.88 -1.99 132.00 130.07 2nna h PRO 56 Ca 0.36 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 2nna h PRO 56 Cb 0.57 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2nna h PRO 56 CO -0.71 0.43 -0.05 0.00 -0.21 0.00 0.00 178.00 177.47 2nna h ALA 57 N 1.67 -0.13 -0.79 -0.75 0.00 -1.38 -2.81 119.26 115.05 2nna h ALA 57 Ca 0.22 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2nna h ALA 57 Cb 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2nna h ALA 57 CO -0.06 -0.17 0.52 0.00 0.00 0.00 0.00 179.25 179.54 2nna h ALA 58 N -0.45 1.75 -0.07 0.00 0.00 -1.13 0.37 119.26 119.73 2nna h ALA 58 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2nna h ALA 58 Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2nna h ALA 58 CO 0.02 0.09 -0.02 0.93 0.00 0.00 0.00 179.25 180.27 2nna h GLU 59 N 0.74 0.13 -0.58 0.00 5.08 -1.47 -2.31 114.58 116.16 2nna h GLU 59 Ca 0.36 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2nna h GLU 59 Cb 0.43 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2nna h GLU 59 CO -0.14 0.48 0.17 -0.92 -1.00 0.00 0.00 179.01 177.60 2nna h TYR 60 N -0.23 0.95 -0.11 4.33 3.20 -1.14 -2.92 116.97 121.05 2nna h TYR 60 Ca 0.02 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.64 2nna h TYR 60 Cb 0.44 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2nna h TYR 60 CO 0.06 0.80 -0.57 -1.49 -1.64 0.00 0.00 178.16 175.31 2nna h TRP 61 N 0.83 0.42 0.00 -3.82 6.55 -0.98 -2.75 115.95 116.21 2nna h TRP 61 Ca 0.19 -0.16 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 2nna h TRP 61 Cb 0.30 -0.08 -0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2nna h TRP 61 CO 0.02 0.83 -0.10 -0.91 -1.05 0.00 0.00 178.44 177.23 2nna h ASN 62 N 0.25 0.00 0.75 -3.49 -0.26 -1.40 -2.82 115.58 108.62 2nna h ASN 62 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2nna h ASN 62 Cb 1.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 2nna h ASN 62 CO 0.09 0.10 -0.17 -1.54 -1.06 0.00 0.00 177.43 174.85 2nna n SER 63 N -3.23 0.22 -4.35 5.81 3.41 -1.04 -4.58 113.62 109.86 2nna n SER 63 Ca 0.01 0.11 -0.45 0.00 -0.26 0.00 0.00 58.87 58.28 2nna n SER 63 Cb 0.37 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2nna n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2nna s GLN 64 N -2.93 3.06 0.18 4.33 -0.21 -1.06 -4.94 119.66 118.09 2nna s GLN 64 Ca 0.15 -1.51 -0.15 0.00 0.02 0.00 0.00 55.36 53.87 2nna s GLN 64 Cb 0.19 -4.30 0.16 0.00 1.00 0.00 0.00 33.01 30.06 2nna s GLN 64 CO 0.58 -1.46 1.67 -0.22 -2.12 0.00 0.00 175.29 173.73 2nna h LYS 65 N 9.02 0.06 -0.27 2.91 3.11 -1.85 -0.31 116.57 129.24 2nna h LYS 65 Ca -0.27 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.55 2nna h LYS 65 Cb 1.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 2nna h LYS 65 CO 1.07 0.04 0.11 0.93 -2.81 0.00 0.00 179.45 178.78 2nna h GLU 66 N 0.06 0.41 -0.46 1.90 3.07 -1.96 -0.71 114.58 116.90 2nna h GLU 66 Ca 0.23 -0.08 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 2nna h GLU 66 Cb 0.35 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 2nna h GLU 66 CO -0.43 0.44 0.30 0.28 -1.40 0.00 0.00 179.01 178.20 2nna h VAL 67 N 0.29 1.10 -0.53 3.13 2.07 -1.82 0.11 116.25 120.61 2nna h VAL 67 Ca 0.09 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2nna h VAL 67 Cb 0.19 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2nna h VAL 67 CO -0.01 0.11 0.32 0.25 0.02 0.00 0.00 177.57 178.27 2nna h LEU 68 N 0.61 0.63 -0.80 2.57 6.46 -0.89 -0.04 115.31 123.85 2nna h LEU 68 Ca 0.17 -0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 2nna h LEU 68 Cb -0.05 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2nna h LEU 68 CO -0.05 0.50 -0.26 -0.33 -0.62 0.00 0.00 178.44 177.68 2nna h GLU 69 N 0.71 0.61 -0.55 1.25 5.08 -0.79 -2.01 114.58 118.88 2nna h GLU 69 Ca 0.19 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2nna h GLU 69 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2nna h GLU 69 CO -0.04 0.81 0.07 -0.09 -1.00 0.00 0.00 179.01 178.77 2nna h ARG 70 N 0.53 0.92 -0.30 2.33 2.43 -0.29 -1.26 114.38 118.73 2nna h ARG 70 Ca 0.07 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 2nna h ARG 70 Cb 0.72 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2nna h ARG 70 CO 0.06 0.90 0.07 1.15 -1.51 0.00 0.00 179.97 180.64 2nna h THR 71 N 0.81 1.22 -0.46 0.20 2.02 -0.85 -2.30 112.91 113.56 2nna h THR 71 Ca 0.16 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 2nna h THR 71 Cb 0.44 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2nna h THR 71 CO 0.01 0.24 0.19 0.03 0.37 0.00 0.00 175.52 176.37 2nna h ARG 72 N 0.32 0.65 0.00 6.66 3.08 -1.27 -1.91 114.38 121.91 2nna h ARG 72 Ca 0.09 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2nna h ARG 72 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2nna h ARG 72 CO 0.00 0.53 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 2nna n ALA 73 N -2.47 1.94 0.38 0.04 0.00 -0.49 -3.13 120.51 116.79 2nna n ALA 73 Ca 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2nna n ALA 73 Cb 0.14 -1.36 0.52 0.00 0.00 0.00 0.00 19.45 18.75 2nna n ALA 73 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2nna h GLU 74 N 0.00 0.00 -0.11 0.00 5.08 -0.79 -1.04 114.58 117.71 2nna h GLU 74 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2nna h GLU 74 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2nna h GLU 74 CO 0.00 0.00 -0.04 1.25 -1.00 0.00 0.00 179.01 179.22 2nna h LEU 75 N 0.00 0.15 0.00 1.33 5.85 -1.71 0.83 115.31 121.76 2nna h LEU 75 Ca 0.00 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2nna h LEU 75 Cb 0.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2nna h LEU 75 CO 0.00 0.22 -1.16 0.47 -0.34 0.00 0.00 178.44 177.62 2nna n ASP 76 N -4.40 1.88 0.30 1.25 8.00 -0.68 -0.67 116.55 122.23 2nna n ASP 76 Ca -0.01 0.46 0.19 0.00 0.71 0.00 0.00 54.79 56.13 2nna n ASP 76 Cb 0.18 -0.85 0.95 0.00 -0.02 0.00 0.00 41.12 41.37 2nna n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2nna h THR 77 N -1.00 0.17 0.00 -3.53 1.35 -1.27 -0.84 112.91 107.78 2nna h THR 77 Ca -0.21 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2nna h THR 77 Cb 1.01 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2nna h THR 77 CO -0.12 0.03 -0.04 0.52 -0.25 0.00 0.00 175.52 175.66 2nna n VAL 78 N -3.27 0.22 0.43 6.82 0.31 0.20 -4.59 118.33 118.45 2nna n VAL 78 Ca -0.02 0.15 -0.19 0.00 -0.01 0.00 0.00 64.34 64.28 2nna n VAL 78 Cb 0.17 -1.22 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 2nna n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nna h ARG 80 N -1.16 0.76 -0.25 0.00 3.08 -0.96 -1.51 114.38 114.34 2nna h ARG 80 Ca -0.11 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.85 2nna h ARG 80 Cb 0.92 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 2nna h ARG 80 CO 0.12 0.66 0.06 1.25 -1.07 0.00 0.00 179.97 180.99 2nna h HIS 81 N 0.68 0.11 0.00 3.04 2.76 -1.13 -2.69 115.15 117.92 2nna h HIS 81 Ca 0.17 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 2nna h HIS 81 Cb 0.17 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2nna h HIS 81 CO 0.00 0.04 -0.36 -0.91 -1.30 0.00 0.00 177.93 175.40 2nna h ASN 82 N 0.16 0.00 -0.81 3.26 2.35 -0.89 -3.12 115.58 116.54 2nna h ASN 82 Ca 0.11 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2nna h ASN 82 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2nna h ASN 82 CO -0.14 0.36 0.41 0.22 -1.65 0.00 0.00 177.43 176.63 2nna h TYR 83 N 0.00 1.15 -0.64 1.19 5.03 -0.93 -0.58 116.97 122.18 2nna h TYR 83 Ca -0.00 -0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.27 2nna h TYR 83 Cb 0.90 -0.36 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 2nna h TYR 83 CO 0.00 0.82 0.43 1.96 -1.32 0.00 0.00 178.16 180.05 2nna h GLN 84 N 1.14 0.82 -0.03 1.82 1.08 -1.47 0.13 115.11 118.60 2nna h GLN 84 Ca 0.28 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.30 2nna h GLN 84 Cb 0.08 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2nna h GLN 84 CO -0.04 0.54 -0.59 -0.07 -0.95 0.00 0.00 178.83 177.72 2nna h LEU 85 N 0.85 0.10 -0.29 1.46 3.38 -1.34 -2.89 115.31 116.58 2nna h LEU 85 Ca 0.24 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 2nna h LEU 85 Cb -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2nna h LEU 85 CO -0.06 0.67 -0.65 -0.33 0.09 0.00 0.00 178.44 178.16 2nna h GLU 86 N 0.07 0.76 -0.25 1.13 4.39 0.26 -3.11 114.58 117.82 2nna h GLU 86 Ca -0.01 -0.55 0.07 0.00 0.34 0.00 0.00 59.36 59.22 2nna h GLU 86 Cb 1.07 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2nna h GLU 86 CO 0.08 1.17 0.21 1.25 -1.16 0.00 0.00 179.01 180.56 2nna h LEU 87 N 0.56 0.00 -1.91 1.33 5.85 -0.61 0.60 115.31 121.13 2nna h LEU 87 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2nna h LEU 87 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2nna h LEU 87 CO 0.13 0.00 0.00 -2.11 -0.34 0.00 0.00 178.44 176.12 2nna n ARG 88 N -4.19 2.05 0.00 1.25 1.85 -1.15 -4.47 116.66 112.00 2nna n ARG 88 Ca 0.03 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 55.03 2nna n ARG 88 Cb 0.36 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 2nna n ARG 88 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2nna n THR 89 N 1.23 0.00 -0.16 8.89 -2.24 -0.66 -4.88 114.28 116.47 2nna n THR 89 Ca 0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.87 2nna n THR 89 Cb 0.54 -0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2nna n THR 89 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2nna h THR 90 N 0.00 0.30 0.00 4.28 2.02 -1.61 -0.87 112.91 117.03 2nna h THR 90 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2nna h THR 90 Cb 0.00 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2nna h THR 90 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 2nna n LEU 91 N -5.42 0.00 -0.00 2.58 4.77 0.11 -1.28 117.00 117.76 2nna n LEU 91 Ca 0.04 0.36 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 2nna n LEU 91 Cb 0.33 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2nna n LEU 91 CO 0.06 -0.28 -0.05 0.00 -1.33 0.00 0.00 177.39 175.78 2nna n GLN 92 N -1.36 2.87 -1.69 3.23 1.13 -0.37 -4.98 117.38 116.20 2nna n GLN 92 Ca 0.03 -0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 2nna n GLN 92 Cb 0.06 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 2nna n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2nna s ARG 93 N -2.18 4.13 -0.08 -1.09 3.52 -0.41 -4.97 118.95 117.87 2nna s ARG 93 Ca 0.04 2.62 -0.02 0.00 -0.13 0.00 0.00 55.73 58.24 2nna s ARG 93 Cb 0.09 -3.68 0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2nna s ARG 93 CO 0.50 -0.87 0.03 0.50 -0.81 0.00 0.00 175.30 174.65 2nna s ARG 94 N 3.00 0.34 -0.16 5.12 6.06 -1.26 -4.20 118.95 127.85 2nna s ARG 94 Ca 0.82 0.15 -0.00 0.00 -2.50 0.00 0.00 55.73 54.20 2nna s ARG 94 Cb -0.46 -0.97 0.04 0.00 0.06 0.00 0.00 34.95 33.62 2nna s ARG 94 CO 0.37 -0.36 -0.08 0.08 -2.50 0.00 0.00 175.30 172.81 2nna s VAL 95 N 2.04 1.27 0.18 7.11 1.01 -0.25 -4.96 120.40 126.81 2nna s VAL 95 Ca 0.04 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 2nna s VAL 95 Cb -0.13 -1.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 2nna s VAL 95 CO -0.05 0.24 1.30 -1.61 0.00 0.00 0.00 175.10 174.98 2nna s GLU 96 N 1.58 4.39 0.45 2.72 2.02 -1.26 -2.27 118.70 126.33 2nna s GLU 96 Ca 0.02 2.02 -0.23 0.00 0.02 0.00 0.00 54.97 56.80 2nna s GLU 96 Cb -0.14 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.80 2nna s GLU 96 CO -0.08 -0.26 1.20 -1.25 0.02 0.00 0.00 175.26 174.88 2nna s PRO 97 N 0.10 3.76 -0.32 0.39 0.04 -1.26 -4.67 135.00 133.05 2nna s PRO 97 Ca 0.57 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 63.36 2nna s PRO 97 Cb -0.36 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 2nna s PRO 97 CO 0.36 -0.57 0.26 0.99 0.04 0.00 0.00 177.00 178.08 2nna s THR 98 N -1.47 5.26 -0.21 1.26 2.01 -0.16 -4.90 115.64 117.44 2nna s THR 98 Ca 0.63 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 2nna s THR 98 Cb -0.31 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2nna s THR 98 CO 0.38 0.07 0.13 -0.69 -0.69 0.00 0.00 174.62 173.81 2nna s VAL 99 N 1.81 5.25 0.01 3.82 1.01 -1.26 -1.47 120.40 129.57 2nna s VAL 99 Ca 0.08 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2nna s VAL 99 Cb -0.17 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2nna s VAL 99 CO 0.11 0.41 -0.04 -0.89 0.00 0.00 0.00 175.10 174.68 2nna s THR 100 N 0.64 0.31 -0.09 3.92 2.01 0.15 -4.98 115.64 117.60 2nna s THR 100 Ca 0.07 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.73 2nna s THR 100 Cb -0.12 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2nna s THR 100 CO 0.01 -0.05 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.05 2nna s ILE 101 N -0.42 1.87 -0.01 1.82 1.01 -1.26 0.77 121.20 124.98 2nna s ILE 101 Ca -0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 2nna s ILE 101 Cb -0.04 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2nna s ILE 101 CO -0.00 0.52 0.09 -0.94 0.00 0.00 0.00 174.94 174.61 2nna s SER 102 N 0.42 0.00 0.05 3.58 1.04 -0.69 -5.01 113.70 113.10 2nna s SER 102 Ca -0.18 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 2nna s SER 102 Cb -0.17 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.06 2nna s SER 102 CO 0.08 -0.20 1.66 -2.84 0.98 0.00 0.00 173.24 172.92 2nna s PRO 103 N -0.71 4.20 0.31 4.02 0.02 -1.26 -1.54 135.00 140.03 2nna s PRO 103 Ca -0.08 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2nna s PRO 103 Cb -0.05 -3.68 0.79 0.00 0.02 0.00 0.00 34.50 31.58 2nna s PRO 103 CO 0.00 -0.75 1.58 -0.07 -0.33 0.00 0.00 177.00 177.43 2nna h LEU 114 N 8.89 -0.37 -8.44 -5.54 3.38 -1.76 -3.46 115.31 108.01 2nna h LEU 114 Ca -0.42 0.27 -0.66 0.00 0.09 0.00 0.00 57.88 57.15 2nna h LEU 114 Cb 1.20 0.44 -0.29 0.00 0.09 0.00 0.00 40.66 42.10 2nna h LEU 114 CO 0.93 -0.34 -0.78 -0.22 0.09 0.00 0.00 178.44 178.12 2nna s LEU 115 N -10.91 2.59 -0.17 1.67 2.96 -0.15 -4.93 118.68 109.75 2nna s LEU 115 Ca -0.13 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2nna s LEU 115 Cb 0.29 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2nna s LEU 115 CO 0.78 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 175.14 2nna s VAL 116 N 0.78 3.39 -0.38 1.68 1.01 -0.59 0.52 120.40 126.80 2nna s VAL 116 Ca -0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 2nna s VAL 116 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2nna s VAL 116 CO 0.01 0.48 0.23 0.00 0.00 0.00 0.00 175.10 175.82 2nna s SER 118 N 1.59 6.40 -0.45 0.00 0.01 0.23 -1.98 113.70 119.49 2nna s SER 118 Ca 0.03 0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 2nna s SER 118 Cb -0.19 -2.27 0.12 0.00 0.21 0.00 0.00 66.02 63.89 2nna s SER 118 CO 0.08 -0.29 0.26 -0.69 0.41 0.00 0.00 173.24 173.01 2nna s VAL 119 N 2.29 3.48 0.27 3.43 1.01 -0.53 -0.67 120.40 129.67 2nna s VAL 119 Ca 0.20 -2.16 0.09 0.00 0.00 0.00 0.00 61.98 60.12 2nna s VAL 119 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2nna s VAL 119 CO 0.10 -0.73 0.02 0.42 0.00 0.00 0.00 175.10 174.90 2nna s THR 120 N 0.99 3.49 -0.78 3.92 -4.23 -0.54 -1.40 115.64 117.09 2nna s THR 120 Ca 0.09 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.71 2nna s THR 120 Cb -0.23 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2nna s THR 120 CO -0.04 -0.36 0.63 0.47 -0.54 0.00 0.00 174.62 174.78 2nna n ASP 121 N -0.93 -5.70 -4.23 3.99 8.00 -0.73 -0.99 116.55 115.95 2nna n ASP 121 Ca -0.06 -0.66 -0.13 0.00 0.71 0.00 0.00 54.79 54.64 2nna n ASP 121 Cb 0.59 -2.68 -0.10 0.00 -0.02 0.00 0.00 41.12 38.91 2nna n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2nna s PHE 122 N -2.90 1.18 -0.28 1.24 -0.12 -1.02 -4.22 117.98 111.86 2nna s PHE 122 Ca 0.03 -0.84 -0.24 0.00 -0.05 0.00 0.00 56.93 55.83 2nna s PHE 122 Cb -0.00 -0.63 0.10 0.00 -0.63 0.00 0.00 43.02 41.85 2nna s PHE 122 CO 0.86 -0.01 0.86 -0.47 -0.05 0.00 0.00 175.22 176.40 2nna s TYR 123 N -3.44 -0.67 0.05 3.49 5.04 -0.96 -0.22 117.35 120.63 2nna s TYR 123 Ca 0.17 1.58 -0.01 0.00 -2.44 0.00 0.00 57.07 56.37 2nna s TYR 123 Cb 0.04 0.34 0.01 0.00 0.35 0.00 0.00 41.96 42.70 2nna s TYR 123 CO -0.00 -0.32 0.04 -2.30 -1.34 0.00 0.00 175.55 171.63 2nna n PRO 124 N 2.68 -1.24 -0.06 4.97 -0.02 -1.26 -1.08 135.00 138.98 2nna n PRO 124 Ca -0.14 -0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.20 2nna n PRO 124 Cb 0.56 -0.07 0.11 0.00 -0.02 0.00 0.00 33.50 34.08 2nna n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nna h ALA 125 N -2.03 0.90 -1.95 3.55 0.00 -1.99 -3.46 119.26 114.27 2nna h ALA 125 Ca -0.02 -0.38 -0.64 0.00 0.00 0.00 0.00 54.91 53.88 2nna h ALA 125 Cb 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.72 2nna h ALA 125 CO 0.01 0.62 1.04 0.94 0.00 0.00 0.00 179.25 181.86 2nna n GLN 126 N -4.10 1.98 -3.60 0.00 7.27 -1.26 -4.97 117.38 112.71 2nna n GLN 126 Ca -0.00 0.73 -0.12 0.00 0.07 0.00 0.00 57.00 57.67 2nna n GLN 126 Cb 0.45 -2.54 -0.05 0.00 2.41 0.00 0.00 30.24 30.51 2nna n GLN 126 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2nna s ILE 127 N 3.76 0.05 -0.10 1.69 -5.25 -1.26 -4.42 121.20 115.67 2nna s ILE 127 Ca 0.93 -0.37 -0.03 0.00 -0.99 0.00 0.00 60.65 60.19 2nna s ILE 127 Cb -0.76 -1.03 0.04 0.00 2.95 0.00 0.00 42.46 43.66 2nna s ILE 127 CO 0.53 -0.20 0.05 -0.75 -1.79 0.00 0.00 174.94 172.77 2nna s LYS 128 N -3.00 0.25 -0.15 0.37 2.20 -0.78 -4.99 119.74 113.64 2nna s LYS 128 Ca -0.02 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2nna s LYS 128 Cb 0.00 -1.15 0.01 0.00 -1.51 0.00 0.00 37.83 35.18 2nna s LYS 128 CO -0.06 -0.44 -0.21 0.08 -0.36 0.00 0.00 175.35 174.36 2nna s VAL 129 N 2.06 2.05 0.06 4.02 1.01 -1.26 -0.71 120.40 127.64 2nna s VAL 129 Ca 0.04 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2nna s VAL 129 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2nna s VAL 129 CO -0.06 0.55 -0.10 -0.13 0.00 0.00 0.00 175.10 175.36 2nna s ARG 130 N 0.94 0.65 -0.07 2.72 1.81 0.45 -4.97 118.95 120.49 2nna s ARG 130 Ca -0.04 -0.88 -0.04 0.00 -1.72 0.00 0.00 55.73 53.05 2nna s ARG 130 Cb -0.15 -0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 33.85 2nna s ARG 130 CO -0.05 0.09 0.11 -1.58 -0.68 0.00 0.00 175.30 173.18 2nna s TRP 131 N -1.56 3.44 -0.00 -0.53 0.52 -1.26 0.18 118.94 119.72 2nna s TRP 131 Ca -0.05 0.37 0.03 0.00 0.02 0.00 0.00 56.10 56.46 2nna s TRP 131 Cb -0.09 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 2nna s TRP 131 CO 0.01 0.63 -0.09 -0.06 0.02 0.00 0.00 176.95 177.46 2nna s PHE 132 N -1.08 0.82 -0.22 -1.98 0.40 0.18 -0.59 117.98 115.50 2nna s PHE 132 Ca 0.18 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2nna s PHE 132 Cb -0.12 -0.52 0.03 0.00 0.51 0.00 0.00 43.02 42.92 2nna s PHE 132 CO 0.08 -0.01 -0.14 0.50 0.70 0.00 0.00 175.22 176.35 2nna s ARG 133 N -0.31 2.76 -1.30 0.44 3.52 0.92 -1.06 118.95 123.92 2nna s ARG 133 Ca 0.03 -1.00 -0.02 0.00 -0.13 0.00 0.00 55.73 54.61 2nna s ARG 133 Cb -0.04 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.57 2nna s ARG 133 CO -0.00 -0.35 0.66 0.09 -0.81 0.00 0.00 175.30 174.88 2nna n ASN 134 N 4.59 -1.48 -1.91 -2.12 3.02 0.64 -1.59 115.26 116.41 2nna n ASN 134 Ca -0.18 -0.87 -0.21 0.00 -0.03 0.00 0.00 54.58 53.29 2nna n ASN 134 Cb 0.47 -3.85 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 2nna n ASN 134 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2nna n ASP 135 N -3.02 -5.66 -4.02 6.41 9.92 -1.26 -4.98 116.55 113.94 2nna n ASP 135 Ca -0.28 0.30 -0.29 0.00 -0.53 0.00 0.00 54.79 53.99 2nna n ASP 135 Cb 0.67 -4.86 -0.17 0.00 -0.64 0.00 0.00 41.12 36.12 2nna n ASP 135 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2nna s GLN 136 N -4.27 2.12 0.26 -1.24 -0.21 -0.62 -5.09 119.66 110.60 2nna s GLN 136 Ca 0.00 -0.50 -0.31 0.00 0.02 0.00 0.00 55.36 54.57 2nna s GLN 136 Cb 0.00 -1.91 -0.12 0.00 1.00 0.00 0.00 33.01 31.98 2nna s GLN 136 CO 0.00 -0.16 1.60 -1.91 -2.12 0.00 0.00 175.29 172.70 2nna n GLU 137 N 4.54 2.61 -2.60 2.91 2.13 -1.26 -0.06 120.64 128.90 2nna n GLU 137 Ca -0.17 0.93 -0.41 0.00 0.66 0.00 0.00 57.16 58.17 2nna n GLU 137 Cb 0.51 -2.71 -0.04 0.00 0.27 0.00 0.00 31.44 29.46 2nna n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2nna s GLU 138 N -0.06 4.65 0.00 5.31 0.41 0.24 -4.85 118.70 124.39 2nna s GLU 138 Ca 0.68 1.61 0.06 0.00 -0.41 0.00 0.00 54.97 56.91 2nna s GLU 138 Cb -0.53 -3.31 0.04 0.00 -1.78 0.00 0.00 34.13 28.55 2nna s GLU 138 CO 0.45 0.16 0.65 2.41 -0.49 0.00 0.00 175.26 178.43 2nna n THR 139 N 2.42 0.00 -3.78 3.63 -1.04 -1.26 -4.82 114.28 109.43 2nna n THR 139 Ca 0.02 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.05 61.44 2nna n THR 139 Cb 0.47 1.11 -0.06 0.00 -1.82 0.00 0.00 70.33 70.04 2nna n THR 139 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2nna s THR 140 N -0.56 0.09 -0.43 12.58 -4.23 -1.26 -4.88 115.64 116.95 2nna s THR 140 Ca 0.06 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2nna s THR 140 Cb 0.05 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.51 2nna s THR 140 CO 0.08 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2nna n GLY 141 N -0.17 0.66 3.35 3.99 0.00 -1.26 -4.79 105.19 106.96 2nna n GLY 141 Ca -0.14 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 2nna n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nna s VAL 142 N -1.97 3.55 -0.08 1.61 1.01 -1.26 0.95 120.40 124.21 2nna s VAL 142 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2nna s VAL 142 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2nna s VAL 142 CO 0.00 0.42 -0.10 0.54 0.00 0.00 0.00 175.10 175.96 2nna s VAL 143 N 1.39 1.02 0.12 2.92 0.11 -0.47 -4.99 120.40 120.50 2nna s VAL 143 Ca 0.05 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2nna s VAL 143 Cb -0.14 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 2nna s VAL 143 CO -0.01 0.34 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.50 2nna s SER 144 N 1.05 4.68 0.64 3.54 0.15 -1.26 -0.34 113.70 122.16 2nna s SER 144 Ca -0.08 -0.32 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 2nna s SER 144 Cb -0.15 -0.99 0.01 0.00 -1.71 0.00 0.00 66.02 63.18 2nna s SER 144 CO -0.01 0.16 0.99 0.42 1.20 0.00 0.00 173.24 176.00 2nna s THR 145 N -1.36 3.69 1.01 6.45 -4.23 -0.28 -5.00 115.64 115.92 2nna s THR 145 Ca 0.24 0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.89 2nna s THR 145 Cb -0.11 -3.50 0.20 0.00 1.34 0.00 0.00 72.50 70.43 2nna s THR 145 CO 0.16 -0.59 1.09 -2.84 -0.54 0.00 0.00 174.62 171.91 2nna s PRO 146 N -5.15 0.30 -0.02 3.99 0.02 -1.26 -4.70 135.00 128.17 2nna s PRO 146 Ca 0.56 0.48 -0.30 0.00 0.02 0.00 0.00 61.00 61.76 2nna s PRO 146 Cb -0.11 -1.73 -0.06 0.00 0.02 0.00 0.00 34.50 32.63 2nna s PRO 146 CO 0.48 -2.81 1.63 -1.17 -0.33 0.00 0.00 177.00 174.80 2nna s LEU 147 N -6.50 4.33 -0.30 -5.54 2.96 -1.26 -4.76 118.68 107.61 2nna s LEU 147 Ca 0.66 2.27 -0.17 0.00 -0.22 0.00 0.00 54.13 56.66 2nna s LEU 147 Cb -0.19 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2nna s LEU 147 CO 0.58 -0.89 0.49 -0.63 -1.32 0.00 0.00 176.35 174.57 2nna s ILE 148 N 3.56 5.07 -0.29 6.68 1.01 0.36 -4.97 121.20 132.62 2nna s ILE 148 Ca 0.72 0.59 -0.21 0.00 0.00 0.00 0.00 60.65 61.75 2nna s ILE 148 Cb -0.34 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 2nna s ILE 148 CO 0.30 -0.03 0.68 -0.60 0.00 0.00 0.00 174.94 175.29 2nna s ARG 149 N 2.30 3.98 0.41 2.79 3.52 -1.26 -1.10 118.95 129.60 2nna s ARG 149 Ca 0.19 0.47 0.22 0.00 -0.13 0.00 0.00 55.73 56.47 2nna s ARG 149 Cb -0.16 -3.70 0.30 0.00 -1.56 0.00 0.00 34.95 29.83 2nna s ARG 149 CO 0.11 -0.55 1.58 -0.91 -0.81 0.00 0.00 175.30 174.72 2nna h ASN 150 N 8.07 0.00 0.00 -2.12 2.35 -1.75 -3.48 115.58 118.65 2nna h ASN 150 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2nna h ASN 150 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2nna h ASN 150 CO 0.82 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 177.28 2nna n GLY 151 N 1.12 2.39 1.77 2.83 0.00 -1.26 -4.86 105.19 107.18 2nna n GLY 151 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2nna n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nna n ASP 152 N 0.00 3.63 -0.86 1.61 5.75 -1.26 -4.90 116.55 120.52 2nna n ASP 152 Ca 0.00 -3.53 -0.08 0.00 -0.01 0.00 0.00 54.79 51.17 2nna n ASP 152 Cb 0.00 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.34 2nna n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2nna n TRP 153 N -0.87 -0.32 -4.10 2.11 7.02 -1.26 -5.04 117.44 114.99 2nna n TRP 153 Ca 0.45 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.82 2nna n TRP 153 Cb 1.37 -2.06 -0.11 0.00 -2.42 0.00 0.00 31.31 28.09 2nna n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2nna s THR 154 N -2.38 0.54 0.47 -0.99 -4.23 -1.26 -4.70 115.64 103.09 2nna s THR 154 Ca 0.00 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 2nna s THR 154 Cb 0.00 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.79 2nna s THR 154 CO 0.00 -0.60 0.10 -0.36 -0.54 0.00 0.00 174.62 173.21 2nna s PHE 155 N -2.34 2.16 -0.04 3.99 0.40 0.69 -2.00 117.98 120.83 2nna s PHE 155 Ca -0.02 -0.79 -0.23 0.00 -0.60 0.00 0.00 56.93 55.29 2nna s PHE 155 Cb -0.03 -1.77 0.05 0.00 0.51 0.00 0.00 43.02 41.78 2nna s PHE 155 CO -0.02 0.18 0.51 -1.14 0.70 0.00 0.00 175.22 175.45 2nna s GLN 156 N -3.89 0.87 -0.22 0.44 0.74 -0.26 -1.78 119.66 115.57 2nna s GLN 156 Ca 0.24 0.08 -0.16 0.00 0.05 0.00 0.00 55.36 55.57 2nna s GLN 156 Cb 0.04 0.40 0.06 0.00 1.10 0.00 0.00 33.01 34.61 2nna s GLN 156 CO 0.13 -0.26 0.55 -1.50 -0.55 0.00 0.00 175.29 173.67 2nna s ILE 157 N -1.19 -0.01 -0.14 -2.34 2.07 -0.50 -0.49 121.20 118.61 2nna s ILE 157 Ca -0.12 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2nna s ILE 157 Cb -0.02 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 41.79 2nna s ILE 157 CO 0.07 0.01 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.15 2nna s LEU 158 N 0.81 1.99 -0.22 8.50 1.02 -1.26 -1.46 118.68 128.06 2nna s LEU 158 Ca -0.04 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.55 2nna s LEU 158 Cb -0.05 -1.35 0.03 0.00 0.02 0.00 0.00 46.19 44.84 2nna s LEU 158 CO -0.06 0.04 -0.13 -0.69 0.02 0.00 0.00 176.35 175.53 2nna s VAL 159 N 0.97 2.36 0.19 -1.59 1.01 -0.84 -1.13 120.40 121.37 2nna s VAL 159 Ca -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 2nna s VAL 159 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2nna s VAL 159 CO -0.04 0.30 0.38 0.00 0.00 0.00 0.00 175.10 175.74 2nna s MET 160 N 1.26 3.53 -0.09 2.72 0.23 0.54 -1.12 119.30 126.37 2nna s MET 160 Ca 0.00 -0.31 0.02 0.00 -1.03 0.00 0.00 55.69 54.37 2nna s MET 160 Cb -0.16 -2.85 0.02 0.00 -1.53 0.00 0.00 34.83 30.31 2nna s MET 160 CO -0.08 0.42 -0.13 -1.17 -2.03 0.00 0.00 175.02 172.03 2nna s LEU 161 N -3.18 1.60 -0.40 0.18 2.96 0.18 -1.37 118.68 118.66 2nna s LEU 161 Ca 0.39 -0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 53.75 2nna s LEU 161 Cb -0.11 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.66 2nna s LEU 161 CO 0.28 0.01 0.58 -1.61 -1.32 0.00 0.00 176.35 174.29 2nna s GLU 162 N 0.93 3.42 0.04 1.98 2.02 0.27 -0.97 118.70 126.39 2nna s GLU 162 Ca -0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 2nna s GLU 162 Cb -0.15 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 2nna s GLU 162 CO 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 175.26 174.42 2nna s MET 163 N 2.61 0.53 -0.68 1.61 0.23 -1.26 -4.72 119.30 117.61 2nna s MET 163 Ca 0.21 -1.03 -0.01 0.00 -1.03 0.00 0.00 55.69 53.83 2nna s MET 163 Cb -0.15 0.19 0.17 0.00 -1.53 0.00 0.00 34.83 33.51 2nna s MET 163 CO 0.16 -0.10 0.50 0.99 -2.03 0.00 0.00 175.02 174.54 2nna s THR 164 N -3.18 3.65 -0.42 3.16 2.01 -1.26 -5.01 115.64 114.59 2nna s THR 164 Ca 0.00 -3.34 -0.42 0.00 0.31 0.00 0.00 61.69 58.24 2nna s THR 164 Cb 0.03 -3.36 -0.17 0.00 0.01 0.00 0.00 72.50 69.00 2nna s THR 164 CO -0.07 -0.93 1.98 -2.65 -0.69 0.00 0.00 174.62 172.26 2nna n PRO 165 N 3.03 0.50 -4.87 4.92 -0.01 -1.26 -4.96 135.00 132.35 2nna n PRO 165 Ca 0.12 0.16 -0.30 0.00 -0.01 0.00 0.00 63.50 63.46 2nna n PRO 165 Cb 0.37 -1.86 -0.14 0.00 -0.01 0.00 0.00 33.50 31.85 2nna n PRO 165 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 175.50 176.63 2nna s GLN 166 N 5.04 1.83 0.24 -0.52 -2.07 -1.26 -5.08 119.66 117.83 2nna s GLN 166 Ca 1.10 -1.10 -0.32 0.00 -1.82 0.00 0.00 55.36 53.23 2nna s GLN 166 Cb -1.25 -2.00 -0.13 0.00 -1.09 0.00 0.00 33.01 28.54 2nna s GLN 166 CO 0.65 0.51 1.54 2.89 -1.32 0.00 0.00 175.29 179.56 2nna n ARG 167 N 1.74 2.36 0.00 9.60 1.85 -1.26 -2.08 116.66 128.87 2nna n ARG 167 Ca -0.17 0.84 0.00 0.00 -1.00 0.00 0.00 57.85 57.53 2nna n ARG 167 Cb 0.52 -2.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.34 2nna n ARG 167 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nna n GLY 168 N 2.66 2.92 3.74 2.89 0.00 -1.26 -5.04 105.19 111.10 2nna n GLY 168 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2nna n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nna s ASP 169 N -1.26 6.39 -0.24 1.61 1.11 -0.88 -5.00 116.67 118.40 2nna s ASP 169 Ca 0.00 2.91 -0.00 0.00 0.18 0.00 0.00 52.55 55.63 2nna s ASP 169 Cb 0.00 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.40 2nna s ASP 169 CO 0.00 -0.93 -0.09 -0.69 1.18 0.00 0.00 175.17 174.64 2nna s VAL 170 N 0.40 2.62 -0.08 -1.27 1.01 -1.26 -4.63 120.40 117.19 2nna s VAL 170 Ca 0.67 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2nna s VAL 170 Cb -0.48 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2nna s VAL 170 CO 0.42 0.23 0.20 -0.31 0.00 0.00 0.00 175.10 175.64 2nna s TYR 171 N 1.28 3.62 0.02 5.22 1.51 -0.90 -0.26 117.35 127.84 2nna s TYR 171 Ca -0.00 0.61 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 2nna s TYR 171 Cb -0.16 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2nna s TYR 171 CO -0.06 0.71 -0.05 0.95 -1.11 0.00 0.00 175.55 175.99 2nna s THR 172 N -1.08 0.29 -0.23 -0.71 -4.23 -0.23 -0.41 115.64 109.04 2nna s THR 172 Ca 0.18 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2nna s THR 172 Cb -0.13 -0.37 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 2nna s THR 172 CO 0.08 -0.32 0.01 0.00 -0.54 0.00 0.00 174.62 173.84 2nna s HIS 174 N 1.54 3.31 -0.10 0.00 3.76 0.13 -2.31 115.29 121.62 2nna s HIS 174 Ca 0.06 0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2nna s HIS 174 Cb -0.15 -2.16 0.02 0.00 1.11 0.00 0.00 32.58 31.40 2nna s HIS 174 CO -0.00 0.15 -0.14 0.08 -0.85 0.00 0.00 174.74 173.99 2nna s VAL 175 N 0.59 1.37 -0.07 -0.90 1.01 -0.24 -0.41 120.40 121.74 2nna s VAL 175 Ca 0.06 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2nna s VAL 175 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2nna s VAL 175 CO 0.01 0.42 -0.17 -1.61 0.00 0.00 0.00 175.10 173.74 2nna s GLU 176 N 1.04 2.77 -0.14 2.72 2.02 0.12 -0.92 118.70 126.30 2nna s GLU 176 Ca -0.06 -0.75 -0.20 0.00 0.02 0.00 0.00 54.97 53.98 2nna s GLU 176 Cb -0.15 -2.39 0.05 0.00 0.10 0.00 0.00 34.13 31.74 2nna s GLU 176 CO -0.02 0.44 0.52 -1.58 0.02 0.00 0.00 175.26 174.64 2nna s HIS 177 N -0.26 -0.53 0.64 1.61 2.46 -1.26 -1.86 115.29 116.08 2nna s HIS 177 Ca 0.01 1.18 0.26 0.00 0.47 0.00 0.00 55.06 56.97 2nna s HIS 177 Cb -0.13 0.22 1.35 0.00 -0.13 0.00 0.00 32.58 33.88 2nna s HIS 177 CO 0.03 -0.35 1.77 -1.00 -2.47 0.00 0.00 174.74 172.71 2nna h PRO 178 N 4.69 0.00 -0.00 2.88 0.13 -1.95 0.47 132.00 138.22 2nna h PRO 178 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2nna h PRO 178 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2nna h PRO 178 CO 0.25 0.00 -0.01 -1.13 -0.23 0.00 0.00 178.00 176.87 2nna n SER 179 N -3.12 0.03 -4.18 1.44 3.41 -1.26 -4.73 113.62 105.21 2nna n SER 179 Ca 0.03 0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 2nna n SER 179 Cb 0.61 -0.32 -0.17 0.00 -0.26 0.00 0.00 64.21 64.07 2nna n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2nna s LEU 180 N -2.69 2.09 0.24 1.04 1.43 0.17 -4.87 118.68 116.09 2nna s LEU 180 Ca 0.24 -0.59 0.16 0.00 -1.03 0.00 0.00 54.13 52.92 2nna s LEU 180 Cb 0.20 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 45.04 2nna s LEU 180 CO 0.49 0.10 1.31 0.06 0.23 0.00 0.00 176.35 178.53 2nna h GLN 181 N 7.15 0.00 -5.45 1.70 3.07 -1.85 -3.42 115.11 116.31 2nna h GLN 181 Ca -0.29 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 57.81 2nna h GLN 181 Cb 1.20 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 28.44 2nna h GLN 181 CO 0.53 0.38 -0.87 -0.80 0.09 0.00 0.00 178.83 178.17 2nna s ASN 182 N -6.23 2.75 0.48 0.06 0.01 -1.26 -5.11 114.94 105.63 2nna s ASN 182 Ca 0.03 -0.48 -0.22 0.00 -0.71 0.00 0.00 52.86 51.48 2nna s ASN 182 Cb 0.08 -1.01 -0.10 0.00 0.41 0.00 0.00 41.25 40.63 2nna s ASN 182 CO 0.76 0.17 0.81 -2.65 -1.51 0.00 0.00 177.10 174.67 2nna n PRO 183 N 3.30 0.94 -3.33 -0.60 -0.02 -1.26 -4.95 135.00 129.09 2nna n PRO 183 Ca -0.19 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 2nna n PRO 183 Cb 0.52 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 2nna n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nna s ILE 184 N -1.44 5.15 -0.18 4.25 -1.09 -0.10 -4.92 121.20 122.87 2nna s ILE 184 Ca 0.66 0.78 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 2nna s ILE 184 Cb -0.53 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2nna s ILE 184 CO 0.55 0.20 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.66 2nna s ILE 185 N 1.64 1.86 -0.12 2.92 1.01 -1.26 -1.08 121.20 126.17 2nna s ILE 185 Ca 0.20 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2nna s ILE 185 Cb -0.15 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 2nna s ILE 185 CO 0.09 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 2nna s VAL 186 N 1.35 2.88 0.28 2.92 1.01 -0.98 -4.95 120.40 122.91 2nna s VAL 186 Ca 0.03 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2nna s VAL 186 Cb -0.14 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2nna s VAL 186 CO -0.11 0.54 0.42 -1.61 0.00 0.00 0.00 175.10 174.33 2nna s GLU 187 N 0.26 3.36 -0.22 2.72 2.02 -1.26 -1.04 118.70 124.54 2nna s GLU 187 Ca -0.11 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 2nna s GLU 187 Cb -0.16 -2.84 0.08 0.00 0.10 0.00 0.00 34.13 31.31 2nna s GLU 187 CO 0.06 0.29 0.51 -0.46 0.02 0.00 0.00 175.26 175.68 2nna s TRP 188 N -2.08 -0.83 0.04 1.61 -0.00 0.45 -4.96 118.94 113.17 2nna s TRP 188 Ca 0.38 1.66 0.06 0.00 -0.00 0.00 0.00 56.10 58.20 2nna s TRP 188 Cb -0.09 0.43 -0.02 0.00 -0.00 0.00 0.00 33.47 33.78 2nna s TRP 188 CO 0.31 -0.45 -0.18 1.03 -0.00 0.00 0.00 176.95 177.66 2nna s ARG 189 N 1.77 1.23 0.00 5.86 0.52 -1.26 -2.12 118.95 124.95 2nna s ARG 189 Ca -0.08 -0.88 0.17 0.00 -0.52 0.00 0.00 55.73 54.42 2nna s ARG 189 Cb -0.08 -1.31 0.99 0.00 0.52 0.00 0.00 34.95 35.07 2nna s ARG 189 CO -0.15 0.33 1.40 0.00 0.02 0.00 0.00 175.30 176.90