#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnl s GLU 6 N 0.00 3.39 -0.18 -1.46 -1.05 -1.26 -4.78 118.70 113.35 2nnl s GLU 6 Ca 0.00 -0.57 -0.07 0.00 -0.15 0.00 0.00 54.97 54.18 2nnl s GLU 6 Cb 0.00 -2.75 -0.04 0.00 -0.44 0.00 0.00 34.13 30.90 2nnl s GLU 6 CO 0.00 0.20 0.06 0.99 0.95 0.00 0.00 175.26 177.45 2nnl s THR 7 N -2.20 4.69 0.09 1.83 2.01 -1.26 -0.84 115.64 119.96 2nnl s THR 7 Ca 0.39 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.37 2nnl s THR 7 Cb -0.09 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2nnl s THR 7 CO 0.33 0.46 -0.12 0.68 -0.69 0.00 0.00 174.62 175.28 2nnl s VAL 8 N 0.44 1.04 -0.15 3.82 -7.23 0.01 -0.01 120.40 118.32 2nnl s VAL 8 Ca 0.03 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2nnl s VAL 8 Cb -0.13 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 2nnl s VAL 8 CO 0.01 -0.38 -0.03 0.00 -0.31 0.00 0.00 175.10 174.38 2nnl s VAL 10 N 0.31 2.65 0.49 0.00 1.01 0.15 -0.47 120.40 124.55 2nnl s VAL 10 Ca -0.03 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 2nnl s VAL 10 Cb -0.14 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2nnl s VAL 10 CO 0.03 0.19 0.86 0.42 0.00 0.00 0.00 175.10 176.59 2nnl s THR 11 N 1.28 4.79 -1.46 3.92 -4.23 -0.54 -1.69 115.64 117.71 2nnl s THR 11 Ca -0.01 0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 60.97 2nnl s THR 11 Cb -0.17 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 69.91 2nnl s THR 11 CO -0.05 -0.81 0.85 0.61 -0.54 0.00 0.00 174.62 174.68 2nnl n GLY 12 N -2.04 -0.51 0.10 3.99 0.00 -1.18 -3.35 105.19 102.19 2nnl n GLY 12 Ca 0.03 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2nnl n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnl n ALA 13 N -4.29 1.33 0.49 4.61 0.00 -0.99 -2.40 120.51 119.26 2nnl n ALA 13 Ca -0.01 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.64 2nnl n ALA 13 Cb 0.56 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.96 2nnl n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nnl h SER 14 N 0.00 0.00 -3.85 0.00 4.64 -1.81 -2.59 113.55 109.94 2nnl h SER 14 Ca 0.00 -0.09 -0.38 0.00 -0.47 0.00 0.00 61.79 60.85 2nnl h SER 14 Cb 0.16 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.39 2nnl h SER 14 CO 0.00 0.05 0.32 0.61 -0.87 0.00 0.00 176.83 176.94 2nnl n GLY 15 N 1.28 -1.14 0.45 -0.77 0.00 -1.01 -4.67 105.19 99.33 2nnl n GLY 15 Ca 0.04 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 2nnl n GLY 15 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2nnl h PHE 16 N -1.50 -1.26 0.14 1.61 3.57 -1.93 -0.80 116.94 116.77 2nnl h PHE 16 Ca -0.36 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 60.94 2nnl h PHE 16 Cb 1.03 0.50 0.02 0.00 2.79 0.00 0.00 35.95 40.30 2nnl h PHE 16 CO 0.00 -0.59 -0.93 0.82 -2.23 0.00 0.00 178.31 175.38 2nnl h ILE 17 N -0.84 1.44 -0.29 1.41 2.04 -1.94 -3.29 117.51 116.03 2nnl h ILE 17 Ca -0.03 -2.48 0.05 0.00 1.00 0.00 0.00 64.86 63.40 2nnl h ILE 17 Cb 0.77 3.03 -0.05 0.00 -0.74 0.00 0.00 36.82 39.84 2nnl h ILE 17 CO -0.13 0.72 0.01 1.23 0.00 0.00 0.00 178.15 179.98 2nnl h GLY 18 N -0.18 0.29 1.02 5.37 0.00 -1.70 -0.96 103.07 106.90 2nnl h GLY 18 Ca -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2nnl h GLY 18 CO 0.18 -0.06 0.43 1.48 0.00 0.00 0.00 176.54 178.57 2nnl h SER 19 N 0.10 1.01 -0.11 0.19 4.64 -0.72 -1.03 113.55 117.63 2nnl h SER 19 Ca 0.14 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2nnl h SER 19 Cb 0.18 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2nnl h SER 19 CO -0.23 0.83 -0.18 -0.25 -0.87 0.00 0.00 176.83 176.12 2nnl h TRP 20 N 1.11 0.55 -0.28 4.77 2.91 -1.53 -1.97 115.95 121.51 2nnl h TRP 20 Ca 0.28 -0.10 -0.11 0.00 1.13 0.00 0.00 58.89 60.09 2nnl h TRP 20 Cb 0.05 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.55 2nnl h TRP 20 CO 0.00 0.66 -0.27 1.25 -1.03 0.00 0.00 178.44 179.06 2nnl h LEU 21 N 0.45 0.72 -0.62 0.65 6.46 -0.87 -1.68 115.31 120.42 2nnl h LEU 21 Ca 0.08 -0.47 0.02 0.00 -0.12 0.00 0.00 57.88 57.39 2nnl h LEU 21 Cb 0.58 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2nnl h LEU 21 CO 0.04 1.04 0.39 0.58 -0.62 0.00 0.00 178.44 179.86 2nnl h VAL 22 N 0.41 1.09 -0.01 1.05 2.07 -0.91 0.26 116.25 120.21 2nnl h VAL 22 Ca 0.05 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2nnl h VAL 22 Cb 0.83 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2nnl h VAL 22 CO 0.07 0.14 -0.08 -0.03 0.02 0.00 0.00 177.57 177.68 2nnl h MET 23 N 0.77 -0.14 -0.56 1.57 1.85 -1.23 0.94 114.93 118.12 2nnl h MET 23 Ca 0.25 0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.29 2nnl h MET 23 Cb 0.00 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 2nnl h MET 23 CO -0.09 -0.09 0.11 0.00 -0.40 0.00 0.00 176.91 176.43 2nnl h ARG 24 N -0.14 0.89 -0.35 0.39 2.47 -1.11 -0.90 114.38 115.63 2nnl h ARG 24 Ca 0.04 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 2nnl h ARG 24 Cb 0.19 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2nnl h ARG 24 CO -0.09 0.82 0.13 -0.07 0.56 0.00 0.00 179.97 181.31 2nnl h LEU 25 N 0.85 0.49 -0.72 3.04 3.38 -0.67 -1.25 115.31 120.43 2nnl h LEU 25 Ca 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2nnl h LEU 25 Cb 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2nnl h LEU 25 CO 0.00 0.54 0.44 -0.07 0.09 0.00 0.00 178.44 179.44 2nnl h LEU 26 N 0.41 0.86 -1.35 1.67 3.38 -0.57 -1.99 115.31 117.71 2nnl h LEU 26 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2nnl h LEU 26 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2nnl h LEU 26 CO -0.01 0.66 0.28 -0.08 0.09 0.00 0.00 178.44 179.38 2nnl h GLU 27 N 0.98 0.72 0.00 1.13 4.81 -1.04 -2.66 114.58 118.52 2nnl h GLU 27 Ca 0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2nnl h GLU 27 Cb -0.04 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2nnl h GLU 27 CO -0.05 0.54 0.00 -2.13 -0.73 0.00 0.00 179.01 176.64 2nnl n ARG 28 N -4.40 0.34 0.00 1.92 0.63 -0.48 -4.89 116.66 109.77 2nnl n ARG 28 Ca 0.05 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2nnl n ARG 28 Cb 0.10 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.51 2nnl n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2nnl n GLY 29 N 1.16 0.97 3.84 5.14 0.00 -1.00 -5.08 105.19 110.22 2nnl n GLY 29 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2nnl n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nnl s TYR 30 N -2.00 3.42 -0.23 1.61 1.51 -0.79 -4.52 117.35 116.35 2nnl s TYR 30 Ca 0.00 1.45 -0.10 0.00 -1.01 0.00 0.00 57.07 57.41 2nnl s TYR 30 Cb 0.00 -2.81 -0.05 0.00 -0.11 0.00 0.00 41.96 38.99 2nnl s TYR 30 CO 0.00 -0.49 0.15 0.99 -1.11 0.00 0.00 175.55 175.09 2nnl s THR 31 N -2.66 5.35 -0.14 -0.71 2.01 -0.02 -4.49 115.64 114.98 2nnl s THR 31 Ca 0.59 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.78 2nnl s THR 31 Cb -0.11 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2nnl s THR 31 CO 0.34 0.37 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.78 2nnl s VAL 32 N 0.86 2.48 -0.30 3.82 1.01 0.05 -0.81 120.40 127.52 2nnl s VAL 32 Ca 0.08 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2nnl s VAL 32 Cb -0.13 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2nnl s VAL 32 CO 0.03 0.53 0.19 -0.13 0.00 0.00 0.00 175.10 175.71 2nnl s ARG 33 N 0.71 3.72 -0.17 2.72 0.52 0.10 -1.71 118.95 124.84 2nnl s ARG 33 Ca -0.08 -0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2nnl s ARG 33 Cb -0.16 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.63 2nnl s ARG 33 CO 0.01 -0.28 -0.05 0.00 0.02 0.00 0.00 175.30 175.00 2nnl s ALA 34 N 1.72 2.92 0.06 2.13 0.00 0.05 -0.68 121.76 127.96 2nnl s ALA 34 Ca 0.06 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2nnl s ALA 34 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2nnl s ALA 34 CO 0.10 0.07 0.09 0.95 0.00 0.00 0.00 175.76 176.97 2nnl s THR 35 N 0.63 4.67 0.01 0.00 -4.23 -0.68 -1.20 115.64 114.83 2nnl s THR 35 Ca -0.03 -0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 59.67 2nnl s THR 35 Cb -0.15 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.49 2nnl s THR 35 CO 0.02 0.17 0.35 0.68 -0.54 0.00 0.00 174.62 175.30 2nnl s VAL 36 N -1.36 0.06 0.16 2.29 -7.23 -0.09 -2.35 120.40 111.88 2nnl s VAL 36 Ca 0.29 -0.50 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 2nnl s VAL 36 Cb -0.12 -0.78 -0.14 0.00 0.56 0.00 0.00 36.38 35.90 2nnl s VAL 36 CO 0.21 -0.27 1.38 0.03 -0.31 0.00 0.00 175.10 176.14 2nnl h ARG 37 N 3.50 0.35 -2.95 4.82 3.08 -1.85 -1.65 114.38 119.68 2nnl h ARG 37 Ca -0.30 -0.34 -0.54 0.00 0.07 0.00 0.00 59.98 58.87 2nnl h ARG 37 Cb 1.18 0.09 -0.40 0.00 0.08 0.00 0.00 29.97 30.92 2nnl h ARG 37 CO 0.42 1.01 -0.77 0.34 -1.07 0.00 0.00 179.97 179.89 2nnl s ASP 38 N -7.00 3.58 0.00 7.04 2.15 -1.26 -4.66 116.67 116.52 2nnl s ASP 38 Ca -0.05 -1.33 0.23 0.00 0.43 0.00 0.00 52.55 51.83 2nnl s ASP 38 Cb 0.10 -0.44 0.99 0.00 -0.30 0.00 0.00 42.92 43.26 2nnl s ASP 38 CO 0.85 -0.43 1.73 -2.65 -0.17 0.00 0.00 175.17 174.49 2nnl n PRO 39 N 5.17 0.04 0.00 4.34 -0.02 -1.26 -2.71 135.00 140.56 2nnl n PRO 39 Ca -0.05 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 2nnl n PRO 39 Cb 0.42 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.86 2nnl n PRO 39 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2nnl n THR 40 N -1.48 0.01 -2.30 3.45 -2.24 -1.26 -4.77 114.28 105.69 2nnl n THR 40 Ca 0.06 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 2nnl n THR 40 Cb 0.26 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 2nnl n THR 40 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2nnl s ASN 41 N -3.03 5.98 0.30 3.42 3.84 -1.10 -4.89 114.94 119.47 2nnl s ASN 41 Ca 0.13 0.41 0.03 0.00 0.21 0.00 0.00 52.86 53.63 2nnl s ASN 41 Cb 0.18 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.83 2nnl s ASN 41 CO 0.60 -1.80 1.79 0.58 -2.79 0.00 0.00 177.10 175.48 2nnl h VAL 42 N 6.50 1.23 0.00 -5.21 2.07 -1.90 -2.15 116.25 116.79 2nnl h VAL 42 Ca -0.27 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 2nnl h VAL 42 Cb 1.11 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2nnl h VAL 42 CO 1.17 0.34 -0.02 0.11 0.02 0.00 0.00 177.57 179.19 2nnl h LYS 43 N 0.48 0.00 0.00 1.57 6.56 -1.99 -2.01 116.57 121.18 2nnl h LYS 43 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2nnl h LYS 43 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2nnl h LYS 43 CO 0.03 0.02 -1.45 1.63 -2.06 0.00 0.00 179.45 177.62 2nnl n LYS 44 N -3.12 0.46 -0.00 3.15 5.02 -0.85 -4.59 118.16 118.23 2nnl n LYS 44 Ca 0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2nnl n LYS 44 Cb 0.34 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2nnl n LYS 44 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2nnl n VAL 45 N -2.13 0.00 -0.27 -0.18 0.24 -0.95 -4.61 118.33 110.43 2nnl n VAL 45 Ca -0.01 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2nnl n VAL 45 Cb 0.50 -0.02 0.21 0.00 -1.47 0.00 0.00 33.84 33.05 2nnl n VAL 45 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2nnl h LYS 46 N 0.00 1.09 0.00 7.34 3.64 -1.61 -0.94 116.57 126.09 2nnl h LYS 46 Ca -0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2nnl h LYS 46 Cb 0.35 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2nnl h LYS 46 CO 0.00 0.72 -0.29 1.12 -2.27 0.00 0.00 179.45 178.74 2nnl h HIS 47 N 1.12 0.00 0.02 1.91 2.07 -1.83 -1.64 115.15 116.80 2nnl h HIS 47 Ca 0.31 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.63 2nnl h HIS 47 Cb -0.12 0.00 0.02 0.00 2.57 0.00 0.00 27.41 29.88 2nnl h HIS 47 CO -0.00 0.29 -0.78 -0.07 -3.07 0.00 0.00 177.93 174.29 2nnl h LEU 48 N 0.00 0.65 -1.18 6.12 3.38 -1.65 -3.31 115.31 119.33 2nnl h LEU 48 Ca -0.00 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.16 2nnl h LEU 48 Cb 0.63 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2nnl h LEU 48 CO 0.04 1.35 -0.14 -0.07 0.09 0.00 0.00 178.44 179.71 2nnl h LEU 49 N 0.03 0.00 -0.02 1.67 3.38 -0.94 -2.40 115.31 117.03 2nnl h LEU 49 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2nnl h LEU 49 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2nnl h LEU 49 CO 0.15 0.14 -0.03 0.47 0.09 0.00 0.00 178.44 179.26 2nnl n ASP 50 N -3.28 0.06 -4.77 -0.43 8.00 -0.64 -4.67 116.55 110.83 2nnl n ASP 50 Ca 0.00 0.04 -0.40 0.00 0.71 0.00 0.00 54.79 55.14 2nnl n ASP 50 Cb 0.39 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 2nnl n ASP 50 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2nnl s LEU 51 N -2.73 4.30 0.15 0.64 1.43 -0.90 -4.92 118.68 116.63 2nnl s LEU 51 Ca 0.23 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.71 2nnl s LEU 51 Cb 0.20 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 2nnl s LEU 51 CO 0.50 -0.74 1.73 -2.16 0.23 0.00 0.00 176.35 175.90 2nnl s PRO 52 N -2.07 4.16 0.00 1.29 0.04 -1.26 -1.93 135.00 135.22 2nnl s PRO 52 Ca 0.54 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.09 2nnl s PRO 52 Cb -0.39 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2nnl s PRO 52 CO 0.51 -0.76 0.00 1.63 0.04 0.00 0.00 177.00 178.42 2nnl n LYS 53 N 4.90 0.00 -0.27 4.56 5.02 -1.26 -4.71 118.16 126.40 2nnl n LYS 53 Ca 0.16 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.39 2nnl n LYS 53 Cb 0.38 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 34.01 2nnl n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nnl h ALA 54 N 0.00 1.02 -0.40 7.82 0.00 -1.67 0.24 119.26 126.27 2nnl h ALA 54 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2nnl h ALA 54 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2nnl h ALA 54 CO 0.00 0.67 -0.03 1.49 0.00 0.00 0.00 179.25 181.38 2nnl h GLU 55 N 1.12 0.65 0.00 0.00 4.81 -1.83 -2.09 114.58 117.25 2nnl h GLU 55 Ca 0.25 -0.17 -0.31 0.00 -0.13 0.00 0.00 59.36 59.01 2nnl h GLU 55 Cb 0.28 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 2nnl h GLU 55 CO -0.01 0.69 -1.91 0.25 -0.73 0.00 0.00 179.01 177.29 2nnl n THR 56 N -4.23 1.50 -0.01 0.32 -2.24 -1.16 -4.70 114.28 103.76 2nnl n THR 56 Ca 0.02 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2nnl n THR 56 Cb 0.29 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 2nnl n THR 56 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nnl n HIS 57 N -2.93 0.00 -5.27 4.78 8.25 0.84 -5.00 115.22 115.88 2nnl n HIS 57 Ca -0.21 -0.03 -0.31 0.00 -0.26 0.00 0.00 57.72 56.90 2nnl n HIS 57 Cb 1.07 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.01 2nnl n HIS 57 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2nnl s LEU 58 N -0.06 2.07 0.14 2.41 2.96 -0.79 -0.77 118.68 124.65 2nnl s LEU 58 Ca 0.00 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.47 2nnl s LEU 58 Cb 0.00 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2nnl s LEU 58 CO 0.00 0.25 -0.17 0.42 -1.32 0.00 0.00 176.35 175.53 2nnl s THR 59 N -0.17 1.61 -0.00 3.68 -4.23 -0.70 -4.78 115.64 111.05 2nnl s THR 59 Ca -0.04 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2nnl s THR 59 Cb -0.14 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 2nnl s THR 59 CO 0.04 -0.33 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.98 2nnl s LEU 60 N -2.50 3.30 -0.03 4.79 1.43 -1.26 -0.77 118.68 123.64 2nnl s LEU 60 Ca 0.12 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2nnl s LEU 60 Cb -0.06 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2nnl s LEU 60 CO 0.05 0.28 -0.02 0.26 0.23 0.00 0.00 176.35 177.15 2nnl s TRP 61 N -1.02 0.45 -0.19 0.29 0.52 -0.34 -4.93 118.94 113.71 2nnl s TRP 61 Ca 0.18 -0.07 -0.24 0.00 0.02 0.00 0.00 56.10 55.98 2nnl s TRP 61 Cb -0.11 -0.43 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 2nnl s TRP 61 CO 0.08 -0.11 0.79 0.21 0.02 0.00 0.00 176.95 177.94 2nnl s LYS 62 N 0.69 4.26 -0.04 4.98 2.20 -1.26 -0.91 119.74 129.66 2nnl s LYS 62 Ca -0.08 0.93 -0.26 0.00 -0.36 0.00 0.00 55.97 56.20 2nnl s LYS 62 Cb -0.11 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.68 2nnl s LYS 62 CO -0.01 -0.35 0.57 0.00 -0.36 0.00 0.00 175.35 175.20 2nnl s ALA 63 N 2.24 -1.48 -0.00 3.13 0.00 -0.62 -4.89 121.76 120.14 2nnl s ALA 63 Ca 0.36 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.35 2nnl s ALA 63 Cb -0.16 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2nnl s ALA 63 CO 0.11 -0.34 -0.04 0.34 0.00 0.00 0.00 175.76 175.83 2nnl s ASP 64 N -1.26 0.46 0.44 0.00 -1.08 -1.26 -3.54 116.67 110.43 2nnl s ASP 64 Ca -0.12 -0.09 0.19 0.00 -0.52 0.00 0.00 52.55 52.02 2nnl s ASP 64 Cb -0.01 -0.05 1.02 0.00 -1.46 0.00 0.00 42.92 42.42 2nnl s ASP 64 CO 0.08 0.03 1.92 -0.07 0.52 0.00 0.00 175.17 177.66 2nnl h LEU 65 N 5.98 0.00 -1.61 -1.34 3.38 -1.96 -2.04 115.31 117.72 2nnl h LEU 65 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2nnl h LEU 65 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2nnl h LEU 65 CO 0.50 0.25 -0.04 0.00 0.09 0.00 0.00 178.44 179.24 2nnl h ALA 66 N 1.75 1.02 -2.43 1.53 0.00 -1.97 -3.28 119.26 115.88 2nnl h ALA 66 Ca -0.00 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 2nnl h ALA 66 Cb 0.53 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 2nnl h ALA 66 CO 0.03 0.05 -0.12 -0.51 0.00 0.00 0.00 179.25 178.71 2nnl s ASP 67 N -5.74 6.26 0.11 0.00 1.01 -0.77 -5.04 116.67 112.50 2nnl s ASP 67 Ca 0.00 -0.27 -0.32 0.00 0.71 0.00 0.00 52.55 52.67 2nnl s ASP 67 Cb 0.10 -2.25 -0.12 0.00 1.01 0.00 0.00 42.92 41.66 2nnl s ASP 67 CO 0.55 -0.51 1.78 -1.84 0.21 0.00 0.00 175.17 175.35 2nnl n GLU 68 N 5.70 2.58 -0.96 8.23 0.28 -1.26 -2.42 120.64 132.79 2nnl n GLU 68 Ca -0.06 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 57.88 2nnl n GLU 68 Cb 0.48 -2.80 0.00 0.00 1.43 0.00 0.00 31.44 30.56 2nnl n GLU 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nnl n GLY 69 N 4.06 0.65 0.19 -1.84 0.00 -1.26 -4.92 105.19 102.06 2nnl n GLY 69 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 2nnl n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nnl h SER 70 N 0.00 0.00 0.05 1.61 4.64 -1.76 -2.61 113.55 115.48 2nnl h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nnl h SER 70 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2nnl h SER 70 CO 0.00 0.00 -0.21 0.49 -0.87 0.00 0.00 176.83 176.24 2nnl n PHE 71 N -2.50 0.00 -0.01 4.77 3.01 -1.26 -4.56 117.46 116.91 2nnl n PHE 71 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2nnl n PHE 71 Cb 0.19 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 2nnl n PHE 71 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2nnl h ASP 72 N 2.60 0.12 -0.54 4.37 3.58 -1.84 -1.65 116.42 123.06 2nnl h ASP 72 Ca 0.00 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.40 2nnl h ASP 72 Cb 0.69 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 2nnl h ASP 72 CO 0.00 0.17 0.31 -0.33 -2.88 0.00 0.00 179.24 176.51 2nnl h GLU 73 N 0.07 0.59 -0.82 0.28 3.07 -1.80 -0.63 114.58 115.33 2nnl h GLU 73 Ca 0.04 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2nnl h GLU 73 Cb 0.07 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 2nnl h GLU 73 CO -0.01 0.39 0.50 0.00 -1.40 0.00 0.00 179.01 178.49 2nnl h ALA 74 N 1.26 1.33 0.09 3.43 0.00 -1.82 -3.25 119.26 120.30 2nnl h ALA 74 Ca 0.23 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 2nnl h ALA 74 Cb 0.07 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.54 2nnl h ALA 74 CO -0.12 0.58 -1.17 0.82 0.00 0.00 0.00 179.25 179.36 2nnl h ILE 75 N 1.13 1.35 -2.12 0.00 2.04 -0.53 -3.43 117.51 115.95 2nnl h ILE 75 Ca 0.30 -2.57 -0.60 0.00 1.00 0.00 0.00 64.86 62.98 2nnl h ILE 75 Cb -0.05 2.67 0.04 0.00 -0.74 0.00 0.00 36.82 38.73 2nnl h ILE 75 CO -0.06 0.77 0.94 0.29 0.00 0.00 0.00 178.15 180.10 2nnl n LYS 76 N -3.73 2.12 0.00 2.37 4.76 -0.32 -1.58 118.16 121.78 2nnl n LYS 76 Ca -0.11 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2nnl n LYS 76 Cb 0.95 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 2nnl n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nnl n GLY 77 N 3.91 2.58 3.79 0.72 0.00 -1.26 -5.00 105.19 109.93 2nnl n GLY 77 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2nnl n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnl n THR 79 N -0.62 0.07 -3.54 0.00 -2.24 0.99 -1.73 114.28 107.21 2nnl n THR 79 Ca 0.08 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 2nnl n THR 79 Cb 0.51 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2nnl n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2nnl s GLY 80 N -3.12 -0.39 -0.06 3.38 0.00 -1.24 -1.64 107.32 104.26 2nnl s GLY 80 Ca 0.11 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.32 2nnl s GLY 80 CO 0.67 0.69 -0.04 0.14 0.00 0.00 0.00 173.10 174.56 2nnl s VAL 81 N -2.09 0.57 -0.39 1.40 1.01 -0.99 -1.53 120.40 118.39 2nnl s VAL 81 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2nnl s VAL 81 Cb -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.79 2nnl s VAL 81 CO -0.03 0.26 0.22 -0.36 0.00 0.00 0.00 175.10 175.19 2nnl s PHE 82 N 1.29 3.26 -0.57 5.22 0.40 0.38 -0.69 117.98 127.28 2nnl s PHE 82 Ca -0.05 -1.11 -0.19 0.00 -0.60 0.00 0.00 56.93 54.98 2nnl s PHE 82 Cb -0.14 -2.55 0.09 0.00 0.51 0.00 0.00 43.02 40.93 2nnl s PHE 82 CO -0.02 -0.70 0.70 -1.58 0.70 0.00 0.00 175.22 174.32 2nnl s HIS 83 N 1.52 2.98 -0.05 0.36 2.46 -0.17 -1.47 115.29 120.93 2nnl s HIS 83 Ca 0.02 -0.80 0.08 0.00 0.47 0.00 0.00 55.06 54.84 2nnl s HIS 83 Cb -0.20 -3.90 -0.12 0.00 -0.13 0.00 0.00 32.58 28.23 2nnl s HIS 83 CO 0.06 -1.25 0.12 0.28 -2.47 0.00 0.00 174.74 171.48 2nnl n VAL 84 N 5.60 0.27 -1.97 0.89 0.31 -1.24 -2.23 118.33 119.97 2nnl n VAL 84 Ca -0.08 -0.28 -0.38 0.00 -0.01 0.00 0.00 64.34 63.59 2nnl n VAL 84 Cb 0.44 -0.21 0.02 0.00 -0.91 0.00 0.00 33.84 33.18 2nnl n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nnl s ALA 85 N -2.43 2.90 -0.24 3.52 0.00 -1.21 -4.85 121.76 119.44 2nnl s ALA 85 Ca -0.04 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.85 2nnl s ALA 85 Cb 0.04 -3.50 0.11 0.00 0.00 0.00 0.00 23.12 19.78 2nnl s ALA 85 CO 0.37 -1.09 0.97 -0.08 0.00 0.00 0.00 175.76 175.92 2nnl s THR 86 N -1.39 0.00 0.14 0.00 -1.32 -1.26 -4.94 115.64 106.87 2nnl s THR 86 Ca 0.68 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.85 2nnl s THR 86 Cb -0.36 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.53 2nnl s THR 86 CO 0.43 0.00 1.74 -2.84 -2.21 0.00 0.00 174.62 171.75 2nnl s PRO 87 N -0.08 4.15 -0.06 7.08 0.02 -1.26 -4.92 135.00 139.93 2nnl s PRO 87 Ca 0.01 2.52 0.11 0.00 0.02 0.00 0.00 61.00 63.66 2nnl s PRO 87 Cb -0.04 -3.42 0.29 0.00 0.02 0.00 0.00 34.50 31.35 2nnl s PRO 87 CO -0.03 -0.77 1.23 -1.33 -0.33 0.00 0.00 177.00 175.76 2nnl n MET 88 N 5.07 2.71 -2.62 5.54 2.81 -1.26 -4.98 117.12 124.39 2nnl n MET 88 Ca 0.16 -2.20 -0.43 0.00 -1.81 0.00 0.00 57.70 53.43 2nnl n MET 88 Cb 0.38 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.48 2nnl n MET 88 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2nnl s ASP 89 N -1.48 7.00 0.30 7.83 2.15 -1.26 -4.91 116.67 126.30 2nnl s ASP 89 Ca 0.24 1.27 0.23 0.00 0.43 0.00 0.00 52.55 54.72 2nnl s ASP 89 Cb 0.17 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.41 2nnl s ASP 89 CO 0.09 -0.78 1.29 -0.26 -0.17 0.00 0.00 175.17 175.34 2nnl h PHE 90 N 7.86 0.00 -0.42 -5.34 0.04 -1.97 -3.37 116.94 113.73 2nnl h PHE 90 Ca -0.21 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.33 2nnl h PHE 90 Cb 1.07 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.07 2nnl h PHE 90 CO 0.79 0.00 -0.10 0.39 -0.60 0.00 0.00 178.31 178.79 2nnl n GLU 91 N -2.83 2.01 -2.27 1.51 1.02 -1.26 -4.72 120.64 114.10 2nnl n GLU 91 Ca 0.02 -3.28 -0.41 0.00 -0.02 0.00 0.00 57.16 53.47 2nnl n GLU 91 Cb 0.54 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2nnl n GLU 91 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2nnl s SER 92 N -2.60 6.97 0.28 1.62 0.15 -1.26 -4.94 113.70 113.92 2nnl s SER 92 Ca 0.46 2.46 0.24 0.00 0.70 0.00 0.00 55.95 59.81 2nnl s SER 92 Cb 0.41 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 62.52 2nnl s SER 92 CO -0.00 -0.40 1.52 0.07 1.20 0.00 0.00 173.24 175.63 2nnl h LYS 93 N 4.13 0.00 -2.34 5.44 -0.00 -1.98 -3.36 116.57 118.47 2nnl h LYS 93 Ca -0.47 0.00 -0.59 0.00 -0.00 0.00 0.00 60.65 59.59 2nnl h LYS 93 Cb 1.22 0.00 -0.41 0.00 -0.00 0.00 0.00 32.23 33.04 2nnl h LYS 93 CO 0.69 0.00 -0.79 -3.47 -0.00 0.00 0.00 179.45 175.88 2nnl n ASP 94 N -2.61 1.99 0.21 7.07 2.03 -1.26 -4.99 116.55 118.99 2nnl n ASP 94 Ca 0.04 -3.03 0.07 0.00 0.52 0.00 0.00 54.79 52.38 2nnl n ASP 94 Cb 0.49 -0.66 0.57 0.00 -0.72 0.00 0.00 41.12 40.80 2nnl n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2nnl h PRO 95 N 4.58 0.10 -0.35 -0.67 0.11 -1.98 -1.51 132.00 132.28 2nnl h PRO 95 Ca 0.16 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 2nnl h PRO 95 Cb 0.78 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2nnl h PRO 95 CO 0.64 0.10 -0.32 1.49 -0.21 0.00 0.00 178.00 179.71 2nnl h GLU 96 N 0.10 0.84 0.07 1.05 4.57 -1.96 -1.15 114.58 118.09 2nnl h GLU 96 Ca 0.02 -0.43 -0.35 0.00 -1.18 0.00 0.00 59.36 57.43 2nnl h GLU 96 Cb 0.06 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2nnl h GLU 96 CO -0.00 1.07 -2.01 0.09 -1.18 0.00 0.00 179.01 176.98 2nnl n ASN 97 N -4.17 1.64 0.16 1.04 3.02 -1.16 -1.40 115.26 114.39 2nnl n ASN 97 Ca -0.03 0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.85 2nnl n ASN 97 Cb 0.50 -0.47 0.09 0.00 -0.61 0.00 0.00 39.78 39.29 2nnl n ASN 97 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2nnl h GLU 98 N 0.04 0.00 0.00 3.52 5.08 -1.41 -3.38 114.58 118.43 2nnl h GLU 98 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2nnl h GLU 98 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2nnl h GLU 98 CO 0.06 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.35 2nnl n VAL 99 N -2.86 0.52 0.10 3.13 0.31 -1.09 -4.84 118.33 113.60 2nnl n VAL 99 Ca 0.02 0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 2nnl n VAL 99 Cb 0.54 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.38 2nnl n VAL 99 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2nnl h ILE 100 N 0.00 0.93 0.57 2.52 2.04 -1.29 -2.80 117.51 119.48 2nnl h ILE 100 Ca 0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2nnl h ILE 100 Cb 0.00 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2nnl h ILE 100 CO 0.00 0.07 -0.30 0.50 0.00 0.00 0.00 178.15 178.42 2nnl h LYS 101 N -0.34 -0.77 0.00 2.37 3.64 -1.47 -2.67 116.57 117.33 2nnl h LYS 101 Ca -0.02 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2nnl h LYS 101 Cb 0.27 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2nnl h LYS 101 CO 0.03 -0.52 -0.12 -1.00 -2.27 0.00 0.00 179.45 175.57 2nnl h PRO 102 N -0.80 0.00 -0.27 1.90 0.13 -1.74 -0.57 132.00 130.65 2nnl h PRO 102 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2nnl h PRO 102 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2nnl h PRO 102 CO 0.11 0.12 0.10 1.15 -0.23 0.00 0.00 178.00 179.25 2nnl h THR 103 N 0.00 1.18 -0.03 1.56 2.02 -1.33 0.61 112.91 116.91 2nnl h THR 103 Ca -0.00 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2nnl h THR 103 Cb 0.26 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2nnl h THR 103 CO 0.02 0.18 -0.11 0.40 0.37 0.00 0.00 175.52 176.38 2nnl h ILE 104 N 0.28 1.48 -0.31 3.11 2.04 -1.13 -2.55 117.51 120.43 2nnl h ILE 104 Ca 0.09 -1.56 -0.16 0.00 1.00 0.00 0.00 64.86 64.23 2nnl h ILE 104 Cb 0.19 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2nnl h ILE 104 CO -0.01 0.42 -0.43 -0.33 0.00 0.00 0.00 178.15 177.81 2nnl h GLU 105 N -0.45 0.79 0.11 2.37 5.08 -1.18 -1.30 114.58 120.00 2nnl h GLU 105 Ca -0.00 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2nnl h GLU 105 Cb 0.75 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2nnl h GLU 105 CO 0.02 1.07 -0.16 0.78 -1.00 0.00 0.00 179.01 179.72 2nnl h GLY 106 N 0.87 -0.29 0.22 -3.84 0.00 -0.93 0.23 103.07 99.33 2nnl h GLY 106 Ca 0.04 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2nnl h GLY 106 CO 0.10 -0.15 -0.24 1.98 0.00 0.00 0.00 176.54 178.22 2nnl h MET 107 N -0.32 -0.27 -0.66 4.80 1.85 -1.32 0.02 114.93 119.04 2nnl h MET 107 Ca 0.02 0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 2nnl h MET 107 Cb 0.32 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.39 2nnl h MET 107 CO -0.07 -0.18 0.31 -0.07 -0.40 0.00 0.00 176.91 176.49 2nnl h LEU 108 N -0.28 0.86 -0.50 3.39 3.38 -1.12 -1.87 115.31 119.17 2nnl h LEU 108 Ca 0.12 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2nnl h LEU 108 Cb 0.46 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2nnl h LEU 108 CO -0.34 0.76 0.08 1.23 0.09 0.00 0.00 178.44 180.25 2nnl h GLY 109 N 0.91 0.59 1.02 0.83 0.00 -0.14 0.75 103.07 107.03 2nnl h GLY 109 Ca 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2nnl h GLY 109 CO -0.03 -0.09 0.41 -2.22 0.00 0.00 0.00 176.54 174.62 2nnl h ILE 110 N 0.20 1.25 -0.78 2.60 2.04 -0.74 -2.44 117.51 119.65 2nnl h ILE 110 Ca 0.25 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2nnl h ILE 110 Cb 0.35 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2nnl h ILE 110 CO -0.35 0.29 0.30 0.24 0.00 0.00 0.00 178.15 178.62 2nnl h MET 111 N 1.13 1.17 -0.24 2.37 2.86 -0.57 -0.44 114.93 121.21 2nnl h MET 111 Ca 0.28 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2nnl h MET 111 Cb 0.08 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2nnl h MET 111 CO -0.04 0.96 -0.02 -0.22 1.06 0.00 0.00 176.91 178.65 2nnl h LYS 112 N 1.14 0.05 -0.86 1.72 3.64 -0.64 -0.39 116.57 121.23 2nnl h LYS 112 Ca 0.26 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2nnl h LYS 112 Cb 0.23 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2nnl h LYS 112 CO -0.02 0.03 0.55 0.77 -2.27 0.00 0.00 179.45 178.52 2nnl h SER 113 N 0.05 1.00 -0.76 4.20 0.02 -1.12 -1.97 113.55 114.96 2nnl h SER 113 Ca 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2nnl h SER 113 Cb 0.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2nnl h SER 113 CO -0.21 0.73 0.36 0.00 -1.14 0.00 0.00 176.83 176.57 2nnl h ALA 115 N 1.18 0.22 0.00 0.00 0.00 -0.68 -2.73 119.26 117.25 2nnl h ALA 115 Ca 0.26 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2nnl h ALA 115 Cb 0.13 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2nnl h ALA 115 CO -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.77 2nnl h ALA 116 N 1.29 1.00 -2.11 0.00 0.00 -0.77 -3.40 119.26 115.27 2nnl h ALA 116 Ca 0.15 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.33 2nnl h ALA 116 Cb 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.79 2nnl h ALA 116 CO -0.29 0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.17 2nnl s ALA 117 N -3.66 3.56 -0.32 0.00 0.00 -0.13 -4.91 121.76 116.30 2nnl s ALA 117 Ca 0.01 -2.57 0.21 0.00 0.00 0.00 0.00 51.96 49.60 2nnl s ALA 117 Cb 0.09 -3.60 1.06 0.00 0.00 0.00 0.00 23.12 20.67 2nnl s ALA 117 CO 0.53 -2.42 1.63 1.63 0.00 0.00 0.00 175.76 177.12 2nnl n LYS 118 N 5.80 0.14 0.10 0.00 4.76 -1.26 -1.44 118.16 126.27 2nnl n LYS 118 Ca 0.01 0.58 0.04 0.00 -2.87 0.00 0.00 58.31 56.07 2nnl n LYS 118 Cb 0.44 -1.91 -0.00 0.00 -1.84 0.00 0.00 35.03 31.72 2nnl n LYS 118 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2nnl h THR 119 N 0.00 0.52 -2.96 -0.18 1.35 -1.91 -3.45 112.91 106.28 2nnl h THR 119 Ca 0.00 -1.84 -0.57 0.00 -0.55 0.00 0.00 66.41 63.45 2nnl h THR 119 Cb 0.08 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 68.57 2nnl h THR 119 CO 0.00 0.30 1.17 -0.69 -0.25 0.00 0.00 175.52 176.05 2nnl s VAL 120 N -3.03 3.69 0.02 6.82 1.01 -0.52 -4.15 120.40 124.23 2nnl s VAL 120 Ca 0.01 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.79 2nnl s VAL 120 Cb 0.08 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 2nnl s VAL 120 CO 0.77 -0.60 1.15 0.08 0.00 0.00 0.00 175.10 176.49 2nnl h ARG 121 N 11.81 0.00 -2.70 2.72 0.11 -1.58 -3.48 114.38 121.26 2nnl h ARG 121 Ca -0.30 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.66 2nnl h ARG 121 Cb 1.14 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 31.97 2nnl h ARG 121 CO 1.06 0.76 -0.23 0.50 0.10 0.00 0.00 179.97 182.16 2nnl s ARG 122 N -2.74 0.48 -0.14 0.08 3.52 -1.24 -4.56 118.95 114.34 2nnl s ARG 122 Ca 0.00 0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 56.17 2nnl s ARG 122 Cb 0.09 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 2nnl s ARG 122 CO 0.81 -0.07 0.01 -1.17 -0.81 0.00 0.00 175.30 174.07 2nnl s LEU 123 N 0.37 3.56 -0.25 -0.88 2.96 -0.62 -2.34 118.68 121.48 2nnl s LEU 123 Ca -0.01 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2nnl s LEU 123 Cb -0.04 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.85 2nnl s LEU 123 CO -0.01 0.23 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 2nnl s VAL 124 N -0.01 2.13 -0.18 1.68 1.01 0.14 -1.18 120.40 123.99 2nnl s VAL 124 Ca 0.03 -1.52 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 2nnl s VAL 124 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2nnl s VAL 124 CO 0.02 0.06 0.33 0.12 0.00 0.00 0.00 175.10 175.62 2nnl s PHE 125 N 1.14 3.42 -0.49 5.22 5.36 -0.11 -1.00 117.98 131.52 2nnl s PHE 125 Ca -0.07 0.58 -0.25 0.00 -0.96 0.00 0.00 56.93 56.23 2nnl s PHE 125 Cb -0.19 -2.41 0.03 0.00 -0.34 0.00 0.00 43.02 40.11 2nnl s PHE 125 CO -0.06 0.13 0.94 0.99 -1.46 0.00 0.00 175.22 175.75 2nnl s THR 126 N 0.84 4.43 0.00 0.12 2.01 -0.95 -1.13 115.64 120.96 2nnl s THR 126 Ca 0.17 0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2nnl s THR 126 Cb -0.14 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.90 2nnl s THR 126 CO 0.06 -0.93 0.00 -0.24 -0.69 0.00 0.00 174.62 172.81 2nnl n SER 127 N 7.29 0.00 -3.63 3.53 2.88 0.18 -4.89 113.62 118.98 2nnl n SER 127 Ca 0.05 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.44 2nnl n SER 127 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 2nnl n SER 127 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2nnl s SER 128 N -1.00 -0.63 0.61 -3.46 0.15 -1.26 -4.44 113.70 103.67 2nnl s SER 128 Ca 0.00 1.03 0.30 0.00 0.70 0.00 0.00 55.95 57.98 2nnl s SER 128 Cb 0.00 1.01 1.64 0.00 -1.71 0.00 0.00 66.02 66.96 2nnl s SER 128 CO 0.00 -0.35 1.91 0.00 1.20 0.00 0.00 173.24 176.00 2nnl h ALA 129 N 4.44 1.25 0.00 5.45 0.00 -1.60 -0.85 119.26 127.95 2nnl h ALA 129 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2nnl h ALA 129 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2nnl h ALA 129 CO 0.21 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2nnl n GLY 130 N -1.21 -1.15 0.00 0.00 0.00 -1.26 -1.39 105.19 100.18 2nnl n GLY 130 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2nnl n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nnl n THR 131 N -1.98 0.03 -0.08 2.61 -2.24 -0.32 -4.44 114.28 107.85 2nnl n THR 131 Ca 0.02 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2nnl n THR 131 Cb 0.20 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 2nnl n THR 131 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2nnl n VAL 132 N -1.54 1.36 -1.32 2.28 0.31 -0.49 0.36 118.33 119.30 2nnl n VAL 132 Ca 0.06 0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.47 2nnl n VAL 132 Cb 0.34 -2.05 0.20 0.00 -0.91 0.00 0.00 33.84 31.42 2nnl n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2nnl n ASN 133 N -4.15 2.46 -4.46 4.52 6.94 -1.10 -2.89 115.26 116.58 2nnl n ASN 133 Ca -0.21 -3.51 -0.44 0.00 -0.02 0.00 0.00 54.58 50.40 2nnl n ASN 133 Cb 0.54 -0.54 -0.02 0.00 -2.36 0.00 0.00 39.78 37.39 2nnl n ASN 133 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2nnl s ILE 134 N -3.08 4.70 0.15 1.53 -1.09 -1.26 -4.92 121.20 117.23 2nnl s ILE 134 Ca 0.39 -1.59 -0.15 0.00 -2.23 0.00 0.00 60.65 57.07 2nnl s ILE 134 Cb 0.35 -4.80 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 2nnl s ILE 134 CO 0.00 -1.54 0.41 0.00 -1.23 0.00 0.00 174.94 172.58 2nnl s GLN 135 N 2.76 1.18 0.16 2.79 -2.07 -1.26 -0.67 119.66 122.55 2nnl s GLN 135 Ca 0.34 -0.85 -0.15 0.00 -1.82 0.00 0.00 55.36 52.87 2nnl s GLN 135 Cb -0.04 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.38 2nnl s GLN 135 CO -0.09 -0.47 1.82 1.49 -1.32 0.00 0.00 175.29 176.72 2nnl h GLU 136 N 2.36 0.58 -5.28 9.60 4.81 -1.96 -3.39 114.58 121.29 2nnl h GLU 136 Ca -0.32 -0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 58.27 2nnl h GLU 136 Cb 1.25 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.37 2nnl h GLU 136 CO 0.44 0.38 -0.51 -1.58 -0.73 0.00 0.00 179.01 177.02 2nnl s HIS 137 N -6.16 3.38 -0.17 0.92 2.46 -1.26 -5.07 115.29 109.39 2nnl s HIS 137 Ca -0.13 0.27 -0.20 0.00 0.47 0.00 0.00 55.06 55.47 2nnl s HIS 137 Cb 0.11 -2.13 -0.03 0.00 -0.13 0.00 0.00 32.58 30.40 2nnl s HIS 137 CO 0.73 0.27 0.59 -0.65 -2.47 0.00 0.00 174.74 173.21 2nnl s GLN 138 N 0.32 4.26 0.77 2.88 -1.52 -1.26 -5.07 119.66 120.04 2nnl s GLN 138 Ca 0.07 0.58 -0.12 0.00 -1.95 0.00 0.00 55.36 53.93 2nnl s GLN 138 Cb -0.11 -3.53 0.06 0.00 -0.22 0.00 0.00 33.01 29.21 2nnl s GLN 138 CO -0.01 -0.11 1.13 -0.51 -0.25 0.00 0.00 175.29 175.54 2nnl s LEU 139 N 1.47 3.13 0.23 2.90 1.43 -1.26 -4.98 118.68 121.59 2nnl s LEU 139 Ca 0.28 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 2nnl s LEU 139 Cb -0.16 -4.55 0.23 0.00 0.03 0.00 0.00 46.19 41.75 2nnl s LEU 139 CO 0.11 -2.23 1.60 -0.65 0.23 0.00 0.00 176.35 175.41 2nnl h PRO 140 N -0.88 0.53 -3.96 1.29 0.11 -1.93 -3.44 132.00 123.73 2nnl h PRO 140 Ca -0.45 -0.27 -0.33 0.00 0.11 0.00 0.00 66.00 65.06 2nnl h PRO 140 Cb 1.25 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.06 2nnl h PRO 140 CO 0.49 0.85 -0.75 0.08 -0.21 0.00 0.00 178.00 178.46 2nnl s VAL 141 N -4.23 0.28 0.06 3.15 1.01 -1.26 -0.37 120.40 119.04 2nnl s VAL 141 Ca -0.07 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2nnl s VAL 141 Cb 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 2nnl s VAL 141 CO 0.82 0.12 -0.06 -0.31 0.00 0.00 0.00 175.10 175.68 2nnl s TYR 142 N 0.46 2.88 0.03 5.22 2.02 0.63 -4.97 117.35 123.61 2nnl s TYR 142 Ca -0.05 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2nnl s TYR 142 Cb -0.08 -1.53 -0.00 0.00 -0.40 0.00 0.00 41.96 39.95 2nnl s TYR 142 CO -0.01 0.42 0.01 -0.40 -1.57 0.00 0.00 175.55 174.01 2nnl n ASP 143 N 1.00 0.50 0.07 2.29 5.68 -1.26 -0.95 116.55 123.88 2nnl n ASP 143 Ca -0.13 -1.15 0.11 0.00 -0.50 0.00 0.00 54.79 53.11 2nnl n ASP 143 Cb 0.52 0.09 0.43 0.00 -1.14 0.00 0.00 41.12 41.03 2nnl n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2nnl n GLU 144 N -0.05 0.12 0.09 0.11 4.71 -1.26 -2.22 120.64 122.14 2nnl n GLU 144 Ca 0.00 0.29 0.13 0.00 -0.01 0.00 0.00 57.16 57.57 2nnl n GLU 144 Cb 0.04 -1.70 0.44 0.00 -1.01 0.00 0.00 31.44 29.21 2nnl n GLU 144 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2nnl n SER 145 N -1.91 0.69 -4.78 1.62 3.41 -1.26 -4.86 113.62 106.53 2nnl n SER 145 Ca 0.04 0.57 -0.39 0.00 -0.26 0.00 0.00 58.87 58.83 2nnl n SER 145 Cb 0.25 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 2nnl n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnl s TRP 147 N -0.54 1.88 0.67 0.00 0.52 -1.24 -4.47 118.94 115.76 2nnl s TRP 147 Ca 0.30 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.88 2nnl s TRP 147 Cb -0.19 -1.03 0.00 0.00 -1.15 0.00 0.00 33.47 31.11 2nnl s TRP 147 CO 0.18 0.23 1.08 -1.12 0.02 0.00 0.00 176.95 177.34 2nnl s SER 148 N -1.95 5.22 -0.52 2.95 0.01 0.16 -4.75 113.70 114.81 2nnl s SER 148 Ca 0.08 1.83 -0.18 0.00 1.31 0.00 0.00 55.95 58.98 2nnl s SER 148 Cb -0.10 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.68 2nnl s SER 148 CO 0.05 -1.55 0.61 -0.62 0.41 0.00 0.00 173.24 172.13 2nnl s ASP 149 N -3.08 6.20 0.18 2.44 -1.08 0.15 -4.96 116.67 116.52 2nnl s ASP 149 Ca 0.63 -1.12 -0.11 0.00 -0.52 0.00 0.00 52.55 51.43 2nnl s ASP 149 Cb -0.17 -2.27 0.08 0.00 -1.46 0.00 0.00 42.92 39.09 2nnl s ASP 149 CO 0.46 -0.91 1.69 0.24 0.52 0.00 0.00 175.17 177.18 2nnl h MET 150 N 9.00 0.98 -0.49 4.34 2.86 -1.95 -1.68 114.93 127.99 2nnl h MET 150 Ca -0.28 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.15 2nnl h MET 150 Cb 1.10 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 2nnl h MET 150 CO 0.99 0.89 0.29 0.93 1.06 0.00 0.00 176.91 181.07 2nnl h GLU 151 N 0.90 0.56 -0.49 1.72 3.07 -1.96 -0.63 114.58 117.74 2nnl h GLU 151 Ca 0.19 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 2nnl h GLU 151 Cb 0.35 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2nnl h GLU 151 CO 0.00 0.37 0.10 0.35 -1.40 0.00 0.00 179.01 178.43 2nnl h PHE 152 N 0.57 0.84 -0.58 4.33 3.57 -1.89 -2.53 116.94 121.25 2nnl h PHE 152 Ca 0.20 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2nnl h PHE 152 Cb 0.03 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 2nnl h PHE 152 CO -0.07 0.76 0.30 0.00 -2.23 0.00 0.00 178.31 177.07 2nnl h ARG 154 N 0.78 0.00 0.01 0.00 3.08 -1.09 -2.56 114.38 114.59 2nnl h ARG 154 Ca 0.20 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 2nnl h ARG 154 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2nnl h ARG 154 CO -0.03 0.55 -0.40 0.00 -1.07 0.00 0.00 179.97 179.02 2nnl h ALA 155 N 1.45 0.08 -0.68 0.04 0.00 -1.15 -3.36 119.26 115.63 2nnl h ALA 155 Ca -0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2nnl h ALA 155 Cb 0.99 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2nnl h ALA 155 CO 0.07 0.22 0.30 -0.22 0.00 0.00 0.00 179.25 179.63 2nnl h LYS 156 N -0.97 0.98 -6.36 0.00 1.63 -0.93 -3.47 116.57 107.44 2nnl h LYS 156 Ca -0.11 -0.14 -0.48 0.00 -0.85 0.00 0.00 60.65 59.08 2nnl h LYS 156 Cb 1.11 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 2nnl h LYS 156 CO -0.05 0.77 -0.85 1.63 -3.45 0.00 0.00 179.45 177.49 2nnl n LYS 157 N -4.32 -3.99 -0.65 1.90 5.02 -0.97 -4.98 118.16 110.17 2nnl n LYS 157 Ca 0.06 0.49 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 2nnl n LYS 157 Cb 0.15 -4.86 0.24 0.00 -0.02 0.00 0.00 35.03 30.54 2nnl n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nnl s MET 158 N -6.40 -0.66 0.07 1.97 0.23 -1.26 -4.84 119.30 108.40 2nnl s MET 158 Ca 0.11 0.82 -0.35 0.00 -1.03 0.00 0.00 55.69 55.23 2nnl s MET 158 Cb -0.06 -1.59 -0.15 0.00 -1.53 0.00 0.00 34.83 31.51 2nnl s MET 158 CO 0.86 -3.55 1.54 2.41 -2.03 0.00 0.00 175.02 174.26 2nnl n THR 159 N -4.79 0.09 -1.03 3.16 -1.04 -1.26 -1.75 114.28 107.66 2nnl n THR 159 Ca 0.04 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2nnl n THR 159 Cb 0.55 -1.30 -0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2nnl n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nnl n ALA 160 N 3.62 -0.01 -0.26 2.41 0.00 -1.26 -4.95 120.51 120.05 2nnl n ALA 160 Ca 0.19 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.70 2nnl n ALA 160 Cb 0.24 -0.40 0.19 0.00 0.00 0.00 0.00 19.45 19.48 2nnl n ALA 160 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2nnl h TRP 161 N 0.00 0.53 -0.73 0.00 5.08 -1.67 -0.78 115.95 118.38 2nnl h TRP 161 Ca -0.02 0.04 -0.06 0.00 1.08 0.00 0.00 58.89 59.92 2nnl h TRP 161 Cb 0.19 -0.12 -0.03 0.00 -3.00 0.00 0.00 29.16 26.20 2nnl h TRP 161 CO 0.11 0.07 0.21 0.00 -1.28 0.00 0.00 178.44 177.54 2nnl h MET 162 N 0.45 1.15 0.11 0.12 -0.00 -1.90 -1.14 114.93 113.73 2nnl h MET 162 Ca 0.42 -0.26 -0.01 0.00 -0.00 0.00 0.00 59.70 59.85 2nnl h MET 162 Cb 0.63 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2nnl h MET 162 CO -0.40 0.99 -0.05 -0.92 -0.00 0.00 0.00 176.91 176.53 2nnl h TYR 163 N 1.10 -0.14 -0.55 -0.10 3.20 -1.63 -0.96 116.97 117.89 2nnl h TYR 163 Ca 0.23 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.15 2nnl h TYR 163 Cb 0.34 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 2nnl h TYR 163 CO 0.03 -0.00 0.29 0.74 -1.64 0.00 0.00 178.16 177.57 2nnl h PHE 164 N -0.25 0.53 -0.55 -3.82 0.04 -0.90 -1.77 116.94 110.22 2nnl h PHE 164 Ca -0.02 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.79 2nnl h PHE 164 Cb 0.20 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2nnl h PHE 164 CO -0.04 0.26 0.35 0.28 -0.60 0.00 0.00 178.31 178.56 2nnl h VAL 165 N 0.55 1.10 -0.74 -0.55 2.07 -1.17 -1.51 116.25 116.01 2nnl h VAL 165 Ca 0.24 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2nnl h VAL 165 Cb 0.14 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2nnl h VAL 165 CO -0.16 0.13 0.24 0.77 0.02 0.00 0.00 177.57 178.57 2nnl h SER 166 N 0.70 1.06 -0.19 0.57 4.64 -0.76 -1.25 113.55 118.34 2nnl h SER 166 Ca 0.21 -0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 61.16 2nnl h SER 166 Cb -0.04 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 2nnl h SER 166 CO -0.07 0.98 -0.51 0.11 -0.87 0.00 0.00 176.83 176.48 2nnl h LYS 167 N 1.09 0.77 0.00 4.77 1.79 -1.24 -1.81 116.57 121.94 2nnl h LYS 167 Ca 0.24 -0.47 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2nnl h LYS 167 Cb 0.29 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2nnl h LYS 167 CO -0.01 1.09 -0.00 1.15 -1.08 0.00 0.00 179.45 180.60 2nnl h THR 168 N 0.60 1.30 -0.75 -0.16 2.02 -1.11 -1.36 112.91 113.45 2nnl h THR 168 Ca 0.02 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 2nnl h THR 168 Cb 1.09 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 2nnl h THR 168 CO 0.11 0.24 0.30 -0.07 0.37 0.00 0.00 175.52 176.47 2nnl h LEU 169 N -0.40 1.03 -0.45 2.58 3.38 -1.30 -1.58 115.31 118.57 2nnl h LEU 169 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2nnl h LEU 169 Cb 0.39 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2nnl h LEU 169 CO 0.00 0.91 0.20 0.00 0.09 0.00 0.00 178.44 179.64 2nnl h ALA 170 N 1.24 0.58 -0.45 1.53 0.00 -1.32 -1.21 119.26 119.62 2nnl h ALA 170 Ca 0.25 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2nnl h ALA 170 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2nnl h ALA 170 CO -0.02 0.16 -0.23 1.49 0.00 0.00 0.00 179.25 180.66 2nnl h GLU 171 N 0.58 0.96 -0.39 0.00 4.81 -1.01 -0.76 114.58 118.77 2nnl h GLU 171 Ca 0.15 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2nnl h GLU 171 Cb 0.15 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2nnl h GLU 171 CO -0.02 1.09 0.16 1.96 -0.73 0.00 0.00 179.01 181.48 2nnl h GLN 172 N 0.80 0.57 -0.98 1.92 4.20 -1.27 -1.82 115.11 118.53 2nnl h GLN 172 Ca 0.10 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2nnl h GLN 172 Cb 0.80 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 2nnl h GLN 172 CO 0.07 0.53 0.65 0.00 -0.67 0.00 0.00 178.83 179.41 2nnl h ALA 173 N 1.01 1.28 -0.35 3.87 0.00 -1.13 -2.62 119.26 121.33 2nnl h ALA 173 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2nnl h ALA 173 Cb 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2nnl h ALA 173 CO -0.01 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.86 2nnl h ALA 174 N 1.39 0.46 -0.93 0.00 0.00 -0.86 -1.67 119.26 117.64 2nnl h ALA 174 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2nnl h ALA 174 Cb -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2nnl h ALA 174 CO -0.11 0.18 0.60 -1.49 0.00 0.00 0.00 179.25 178.43 2nnl h TRP 175 N 0.41 1.20 0.26 0.00 4.06 -1.24 -0.28 115.95 120.36 2nnl h TRP 175 Ca 0.10 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.07 2nnl h TRP 175 Cb 0.38 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 2nnl h TRP 175 CO 0.03 0.77 -0.24 0.87 -3.56 0.00 0.00 178.44 176.31 2nnl h LYS 176 N 1.27 -0.51 -0.88 0.49 6.56 -1.30 -1.67 116.57 120.53 2nnl h LYS 176 Ca 0.34 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 60.01 2nnl h LYS 176 Cb -0.11 0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 31.61 2nnl h LYS 176 CO -0.07 -0.34 0.56 -0.92 -2.06 0.00 0.00 179.45 176.62 2nnl h TYR 177 N -0.52 1.04 -0.35 -1.35 5.03 -1.16 -0.23 116.97 119.42 2nnl h TYR 177 Ca -0.01 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 2nnl h TYR 177 Cb 0.48 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 2nnl h TYR 177 CO -0.15 0.57 -0.04 0.00 -1.32 0.00 0.00 178.16 177.21 2nnl h ALA 178 N 1.38 0.48 -0.46 1.82 0.00 -0.90 0.47 119.26 122.04 2nnl h ALA 178 Ca 0.36 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2nnl h ALA 178 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2nnl h ALA 178 CO -0.14 0.28 0.06 1.57 0.00 0.00 0.00 179.25 181.02 2nnl h LYS 179 N 0.44 0.78 -0.38 0.00 -0.00 -1.19 0.27 116.57 116.50 2nnl h LYS 179 Ca 0.09 -0.22 0.02 0.00 -0.00 0.00 0.00 60.65 60.54 2nnl h LYS 179 Cb 0.53 -0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 32.65 2nnl h LYS 179 CO 0.03 0.80 0.22 0.93 -0.00 0.00 0.00 179.45 181.43 2nnl h GLU 180 N 0.64 0.44 -0.33 0.07 5.08 -0.78 -3.26 114.58 116.44 2nnl h GLU 180 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2nnl h GLU 180 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2nnl h GLU 180 CO 0.01 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.40 2nnl n ASN 181 N -4.87 3.86 -3.78 1.42 3.02 0.13 -4.99 115.26 110.04 2nnl n ASN 181 Ca 0.01 -2.72 -0.24 0.00 -0.03 0.00 0.00 54.58 51.59 2nnl n ASN 181 Cb 0.06 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 38.76 2nnl n ASN 181 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2nnl n ASN 182 N -0.06 -1.64 -4.75 6.41 3.02 0.83 -4.97 115.26 114.10 2nnl n ASN 182 Ca 0.20 -0.92 -0.37 0.00 -0.03 0.00 0.00 54.58 53.45 2nnl n ASN 182 Cb 0.80 -3.58 -0.06 0.00 -0.61 0.00 0.00 39.78 36.33 2nnl n ASN 182 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nnl s ILE 183 N -3.74 5.23 -0.64 2.41 1.01 -0.53 -5.03 121.20 119.90 2nnl s ILE 183 Ca 0.09 0.71 -0.27 0.00 0.00 0.00 0.00 60.65 61.18 2nnl s ILE 183 Cb -0.03 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2nnl s ILE 183 CO 0.85 0.42 1.60 -0.62 0.00 0.00 0.00 174.94 177.18 2nnl s ASP 184 N 0.15 5.71 -0.08 3.58 -1.08 -1.26 -4.78 116.67 118.91 2nnl s ASP 184 Ca 0.20 0.09 0.02 0.00 -0.52 0.00 0.00 52.55 52.34 2nnl s ASP 184 Cb -0.14 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.79 2nnl s ASP 184 CO 0.07 -2.08 -0.14 0.12 0.52 0.00 0.00 175.17 173.67 2nnl s PHE 185 N 7.44 1.66 -0.02 -5.34 5.36 -1.26 -1.59 117.98 124.23 2nnl s PHE 185 Ca 0.54 -0.67 0.06 0.00 -0.96 0.00 0.00 56.93 55.90 2nnl s PHE 185 Cb -0.11 -1.20 -0.01 0.00 -0.34 0.00 0.00 43.02 41.35 2nnl s PHE 185 CO 0.20 -0.34 -0.19 0.42 -1.46 0.00 0.00 175.22 173.85 2nnl s ILE 186 N 0.74 1.53 -0.01 3.12 -1.09 -0.32 -4.25 121.20 120.92 2nnl s ILE 186 Ca -0.13 -0.82 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 2nnl s ILE 186 Cb -0.16 -1.28 -0.03 0.00 -1.58 0.00 0.00 42.46 39.42 2nnl s ILE 186 CO 0.03 0.43 -0.20 0.42 -1.23 0.00 0.00 174.94 174.39 2nnl s THR 187 N -0.35 2.62 -0.11 2.92 -4.23 -1.07 -0.93 115.64 114.48 2nnl s THR 187 Ca 0.05 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2nnl s THR 187 Cb -0.08 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 2nnl s THR 187 CO -0.00 0.51 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.85 2nnl s ILE 188 N -0.74 3.24 -0.53 2.99 1.01 -0.29 -0.95 121.20 125.94 2nnl s ILE 188 Ca 0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2nnl s ILE 188 Cb -0.10 -2.35 0.14 0.00 0.01 0.00 0.00 42.46 40.15 2nnl s ILE 188 CO 0.01 0.54 0.33 -0.63 0.00 0.00 0.00 174.94 175.19 2nnl s ILE 189 N 0.02 3.47 0.39 2.92 1.01 0.12 0.50 121.20 129.64 2nnl s ILE 189 Ca -0.03 -2.60 -0.21 0.00 0.00 0.00 0.00 60.65 57.81 2nnl s ILE 189 Cb -0.14 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 2nnl s ILE 189 CO 0.04 -0.79 0.91 -2.84 0.00 0.00 0.00 174.94 172.25 2nnl s PRO 190 N 0.43 4.24 0.00 2.79 0.02 -1.26 -0.80 135.00 140.42 2nnl s PRO 190 Ca 0.13 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2nnl s PRO 190 Cb -0.22 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 31.99 2nnl s PRO 190 CO -0.04 0.05 0.00 0.25 -0.33 0.00 0.00 177.00 176.93 2nnl n THR 191 N -0.41 0.00 -2.82 0.99 -2.24 -1.19 -1.64 114.28 106.96 2nnl n THR 191 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 2nnl n THR 191 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 2nnl n THR 191 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2nnl s LEU 192 N 0.00 4.06 -0.13 3.22 2.96 -0.57 -4.78 118.68 123.43 2nnl s LEU 192 Ca 0.00 0.98 -0.22 0.00 -0.22 0.00 0.00 54.13 54.68 2nnl s LEU 192 Cb 0.00 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 2nnl s LEU 192 CO 0.00 -0.64 0.64 -0.69 -1.32 0.00 0.00 176.35 174.34 2nnl s VAL 193 N 3.09 5.05 -0.01 1.68 1.01 -1.26 -1.38 120.40 128.58 2nnl s VAL 193 Ca 0.38 1.26 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 2nnl s VAL 193 Cb -0.14 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2nnl s VAL 193 CO 0.10 0.19 0.01 -0.69 0.00 0.00 0.00 175.10 174.71 2nnl s VAL 194 N 1.30 -0.01 -3.22 2.92 1.01 -0.74 -4.59 120.40 117.06 2nnl s VAL 194 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2nnl s VAL 194 Cb -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2nnl s VAL 194 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2nnl n GLY 195 N 3.31 -1.36 3.74 4.51 0.00 -1.23 -2.00 105.19 112.16 2nnl n GLY 195 Ca -0.15 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2nnl n GLY 195 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnl s PRO 196 N -1.31 1.61 0.16 1.61 0.04 -1.23 -3.45 135.00 132.43 2nnl s PRO 196 Ca 0.00 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 2nnl s PRO 196 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2nnl s PRO 196 CO 0.00 -2.01 0.33 -0.59 0.04 0.00 0.00 177.00 174.76 2nnl s PHE 197 N -2.96 0.26 -0.20 0.56 -0.71 -1.26 -4.92 117.98 108.74 2nnl s PHE 197 Ca 0.62 -0.62 0.17 0.00 -1.04 0.00 0.00 56.93 56.06 2nnl s PHE 197 Cb -0.17 0.04 -0.24 0.00 -1.21 0.00 0.00 43.02 41.44 2nnl s PHE 197 CO 0.56 -0.74 0.44 0.44 -1.34 0.00 0.00 175.22 174.58 2nnl n ILE 198 N -0.23 0.00 -1.31 -4.49 -5.35 -1.26 -5.00 119.36 101.72 2nnl n ILE 198 Ca -0.09 -0.32 -0.30 0.00 -0.27 0.00 0.00 62.75 61.78 2nnl n ILE 198 Cb 0.63 0.33 0.13 0.00 -1.74 0.00 0.00 39.64 38.98 2nnl n ILE 198 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2nnl s MET 199 N -3.01 1.44 0.00 6.28 0.23 -1.26 -4.91 119.30 118.06 2nnl s MET 199 Ca -0.03 0.73 0.19 0.00 -1.03 0.00 0.00 55.69 55.55 2nnl s MET 199 Cb 0.11 -1.84 -0.13 0.00 -1.53 0.00 0.00 34.83 31.45 2nnl s MET 199 CO 0.69 -2.09 0.85 -1.13 -2.03 0.00 0.00 175.02 171.30 2nnl n SER 200 N -3.77 1.22 -4.82 -1.18 3.41 -1.26 -4.96 113.62 102.26 2nnl n SER 200 Ca 0.07 -1.11 -0.23 0.00 -0.26 0.00 0.00 58.87 57.34 2nnl n SER 200 Cb 0.56 0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 65.27 2nnl n SER 200 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2nnl s SER 201 N -2.52 4.77 -0.13 4.04 1.04 -1.26 -5.02 113.70 114.62 2nnl s SER 201 Ca 0.10 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.33 2nnl s SER 201 Cb 0.14 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 2nnl s SER 201 CO 0.65 -0.64 1.57 -0.32 0.98 0.00 0.00 173.24 175.49 2nnl s MET 202 N -4.05 4.06 0.21 4.02 1.75 -1.26 -4.98 119.30 119.06 2nnl s MET 202 Ca 0.44 1.92 -0.32 0.00 -1.25 0.00 0.00 55.69 56.49 2nnl s MET 202 Cb -0.00 -3.96 -0.12 0.00 2.84 0.00 0.00 34.83 33.59 2nnl s MET 202 CO 0.25 -0.97 1.71 -2.14 -0.65 0.00 0.00 175.02 173.22 2nnl s PRO 203 N 4.16 4.13 0.36 4.11 0.02 -1.26 -4.91 135.00 141.61 2nnl s PRO 203 Ca 0.69 2.60 0.13 0.00 0.02 0.00 0.00 61.00 64.44 2nnl s PRO 203 Cb -0.28 -3.07 0.96 0.00 0.02 0.00 0.00 34.50 32.12 2nnl s PRO 203 CO 0.27 -0.74 1.78 -1.35 -0.33 0.00 0.00 177.00 176.63 2nnl h PRO 204 N 6.63 0.52 0.00 5.54 0.11 -1.99 -1.29 132.00 141.52 2nnl h PRO 204 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2nnl h PRO 204 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2nnl h PRO 204 CO 0.94 0.34 -0.25 0.66 -0.21 0.00 0.00 178.00 179.48 2nnl h SER 205 N 0.54 0.00 1.80 -2.05 4.64 -1.91 -2.68 113.55 113.89 2nnl h SER 205 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2nnl h SER 205 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2nnl h SER 205 CO -0.32 0.25 0.00 -0.07 -0.87 0.00 0.00 176.83 175.82 2nnl h LEU 206 N 0.00 0.00 -0.77 5.97 3.38 -1.49 0.21 115.31 122.61 2nnl h LEU 206 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2nnl h LEU 206 Cb 0.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2nnl h LEU 206 CO 0.03 0.00 0.40 0.40 0.09 0.00 0.00 178.44 179.37 2nnl h ILE 207 N 0.00 1.24 0.08 1.22 2.04 -1.35 -1.08 117.51 119.66 2nnl h ILE 207 Ca 0.00 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2nnl h ILE 207 Cb 0.90 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2nnl h ILE 207 CO 0.00 0.27 -0.04 0.74 0.00 0.00 0.00 178.15 179.12 2nnl h THR 208 N 1.08 1.20 -0.10 -0.27 2.02 -1.50 -3.12 112.91 112.20 2nnl h THR 208 Ca 0.27 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2nnl h THR 208 Cb 0.07 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2nnl h THR 208 CO -0.04 0.31 -0.04 0.00 0.37 0.00 0.00 175.52 176.12 2nnl h ALA 209 N 0.05 1.74 -0.60 6.16 0.00 -0.57 -2.54 119.26 123.50 2nnl h ALA 209 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2nnl h ALA 209 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2nnl h ALA 209 CO 0.02 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.74 2nnl n LEU 210 N -4.40 3.69 0.07 0.00 4.77 -0.41 -4.57 117.00 116.16 2nnl n LEU 210 Ca -0.01 -2.05 0.03 0.00 -0.03 0.00 0.00 56.01 53.95 2nnl n LEU 210 Cb 0.17 -0.42 0.41 0.00 -2.33 0.00 0.00 43.42 41.25 2nnl n LEU 210 CO 0.36 0.89 1.00 0.77 -1.33 0.00 0.00 177.39 179.08 2nnl h SER 211 N 3.53 0.33 0.29 -1.43 4.64 -1.38 0.10 113.55 119.63 2nnl h SER 211 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2nnl h SER 211 Cb 0.95 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2nnl h SER 211 CO 0.02 0.37 0.00 1.55 -0.87 0.00 0.00 176.83 177.90 2nnl h PRO 212 N 0.36 0.00 0.07 4.77 0.14 -1.82 0.44 132.00 135.95 2nnl h PRO 212 Ca 0.09 0.00 -0.24 0.00 0.14 0.00 0.00 66.00 65.98 2nnl h PRO 212 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.32 2nnl h PRO 212 CO 0.00 0.00 -1.27 0.82 0.14 0.00 0.00 178.00 177.69 2nnl h ILE 213 N 0.00 1.04 0.00 -3.56 2.04 -1.15 -3.39 117.51 112.50 2nnl h ILE 213 Ca 0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 2nnl h ILE 213 Cb 0.15 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2nnl h ILE 213 CO 0.00 0.59 -0.27 0.35 0.00 0.00 0.00 178.15 178.82 2nnl n THR 214 N -4.11 0.47 -1.38 -0.27 -2.24 -0.72 -4.70 114.28 101.33 2nnl n THR 214 Ca -0.26 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.20 2nnl n THR 214 Cb 0.80 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 2nnl n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnl n GLY 215 N 1.33 0.61 3.56 3.38 0.00 0.15 -4.96 105.19 109.26 2nnl n GLY 215 Ca 0.05 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2nnl n GLY 215 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nnl s ASN 216 N -2.90 6.65 0.38 1.61 3.84 -1.12 -4.84 114.94 118.56 2nnl s ASN 216 Ca 0.00 -1.90 0.10 0.00 0.21 0.00 0.00 52.86 51.27 2nnl s ASN 216 Cb 0.00 -2.56 0.77 0.00 -0.55 0.00 0.00 41.25 38.91 2nnl s ASN 216 CO 0.00 -1.34 1.91 -0.33 -2.79 0.00 0.00 177.10 174.55 2nnl h GLU 217 N 8.85 0.23 -0.04 0.43 5.08 -1.93 -2.23 114.58 124.97 2nnl h GLU 217 Ca 0.29 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2nnl h GLU 217 Cb 0.96 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2nnl h GLU 217 CO 1.42 0.38 0.26 0.00 -1.00 0.00 0.00 179.01 180.06 2nnl h ALA 218 N 1.64 1.35 -0.01 3.43 0.00 -2.00 -0.18 119.26 123.48 2nnl h ALA 218 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nnl h ALA 218 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2nnl h ALA 218 CO 0.02 -0.28 -0.55 0.72 0.00 0.00 0.00 179.25 179.16 2nnl n HIS 219 N -3.06 0.00 0.24 0.00 8.25 -0.84 -4.29 115.22 115.52 2nnl n HIS 219 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 2nnl n HIS 219 Cb 0.32 -0.07 0.60 0.00 1.12 0.00 0.00 29.99 31.96 2nnl n HIS 219 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2nnl h TYR 220 N 1.20 0.00 0.00 4.41 0.05 -1.15 -2.80 116.97 118.69 2nnl h TYR 220 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2nnl h TYR 220 Cb 0.60 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.34 2nnl h TYR 220 CO 0.00 0.13 -0.08 0.66 -1.05 0.00 0.00 178.16 177.81 2nnl h SER 221 N 0.00 0.00 0.60 3.88 4.64 -1.76 0.24 113.55 121.15 2nnl h SER 221 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2nnl h SER 221 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2nnl h SER 221 CO 0.02 0.08 -1.30 0.40 -0.87 0.00 0.00 176.83 175.16 2nnl h ILE 222 N 0.00 1.43 -0.03 0.95 2.04 -1.81 -3.35 117.51 116.74 2nnl h ILE 222 Ca -0.00 -3.02 0.00 0.00 1.00 0.00 0.00 64.86 62.84 2nnl h ILE 222 Cb 0.26 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2nnl h ILE 222 CO 0.01 0.88 -0.14 2.30 0.00 0.00 0.00 178.15 181.20 2nnl n ILE 223 N -3.51 0.00 -0.17 -0.67 -5.35 -0.80 -4.38 119.36 104.48 2nnl n ILE 223 Ca -0.10 -0.43 -0.07 0.00 -0.27 0.00 0.00 62.75 61.88 2nnl n ILE 223 Cb 1.03 1.43 -0.01 0.00 -1.74 0.00 0.00 39.64 40.34 2nnl n ILE 223 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2nnl h ARG 224 N 4.00 -0.21 -3.54 6.28 2.43 -0.70 -2.75 114.38 119.89 2nnl h ARG 224 Ca 0.00 0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.54 2nnl h ARG 224 Cb 0.92 0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 30.11 2nnl h ARG 224 CO 0.00 -0.14 -0.64 -0.65 -1.51 0.00 0.00 179.97 177.02 2nnl s GLN 225 N -5.96 1.90 0.17 0.20 -0.21 -1.26 -1.39 119.66 113.11 2nnl s GLN 225 Ca -0.14 -2.52 0.01 0.00 0.02 0.00 0.00 55.36 52.72 2nnl s GLN 225 Cb 0.14 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 2nnl s GLN 225 CO 0.68 -1.09 0.34 0.20 -2.12 0.00 0.00 175.29 173.30 2nnl s GLY 226 N -0.13 1.78 0.05 3.09 0.00 -0.63 -4.77 107.32 106.71 2nnl s GLY 226 Ca 0.16 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 44.01 2nnl s GLY 226 CO -0.01 -0.89 -0.12 1.20 0.00 0.00 0.00 173.10 173.28 2nnl s GLN 227 N -3.23 0.76 0.02 2.90 1.11 -1.26 -1.66 119.66 118.31 2nnl s GLN 227 Ca 0.37 -0.77 -0.01 0.00 0.01 0.00 0.00 55.36 54.95 2nnl s GLN 227 Cb -0.11 -0.72 -0.02 0.00 -1.01 0.00 0.00 33.01 31.15 2nnl s GLN 227 CO 0.29 0.17 -0.01 -0.06 0.01 0.00 0.00 175.29 175.68 2nnl s PHE 228 N -1.05 0.27 0.00 0.91 0.40 -0.13 -1.51 117.98 116.88 2nnl s PHE 228 Ca -0.02 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.73 2nnl s PHE 228 Cb -0.09 -0.20 -0.01 0.00 0.51 0.00 0.00 43.02 43.24 2nnl s PHE 228 CO 0.01 -0.22 0.02 0.54 0.70 0.00 0.00 175.22 176.27 2nnl s VAL 229 N -1.77 0.05 0.19 -0.44 0.11 -0.48 -1.78 120.40 116.29 2nnl s VAL 229 Ca -0.13 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.18 2nnl s VAL 229 Cb -0.08 -0.18 -0.08 0.00 -1.53 0.00 0.00 36.38 34.51 2nnl s VAL 229 CO -0.02 -0.24 1.16 -2.28 -3.33 0.00 0.00 175.10 170.39 2nnl s HIS 230 N -0.73 3.48 0.28 1.54 2.46 -1.26 -1.79 115.29 119.26 2nnl s HIS 230 Ca -0.08 1.50 0.00 0.00 0.47 0.00 0.00 55.06 56.95 2nnl s HIS 230 Cb -0.05 -3.38 0.64 0.00 -0.13 0.00 0.00 32.58 29.66 2nnl s HIS 230 CO -0.00 -0.98 1.68 1.25 -2.47 0.00 0.00 174.74 174.21 2nnl h LEU 231 N 5.07 0.11 -0.53 8.88 5.85 -1.76 -0.87 115.31 132.07 2nnl h LEU 231 Ca -0.45 0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 2nnl h LEU 231 Cb 1.21 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2nnl h LEU 231 CO 0.73 -0.07 -0.62 -0.78 -0.34 0.00 0.00 178.44 177.36 2nnl h ASP 232 N 0.29 0.45 -0.38 1.25 3.58 -1.92 -0.78 116.42 118.92 2nnl h ASP 232 Ca 0.51 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 2nnl h ASP 232 Cb 0.97 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2nnl h ASP 232 CO -0.57 0.96 0.07 0.44 -2.88 0.00 0.00 179.24 177.27 2nnl h ASP 233 N 0.29 0.59 -0.54 2.28 3.32 -1.75 -1.99 116.42 118.61 2nnl h ASP 233 Ca -0.01 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2nnl h ASP 233 Cb 1.16 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2nnl h ASP 233 CO 0.11 0.69 0.35 0.25 -1.72 0.00 0.00 179.24 178.91 2nnl h LEU 234 N 0.46 0.63 -0.74 1.55 5.85 -1.01 -0.54 115.31 121.52 2nnl h LEU 234 Ca 0.12 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2nnl h LEU 234 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2nnl h LEU 234 CO 0.01 0.47 -0.34 0.00 -0.34 0.00 0.00 178.44 178.24 2nnl h ASN 236 N 0.48 0.27 -0.70 0.00 -0.26 -1.24 -2.59 115.58 111.53 2nnl h ASN 236 Ca 0.05 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 2nnl h ASN 236 Cb 0.82 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.98 2nnl h ASN 236 CO 0.07 0.59 0.31 0.00 -1.06 0.00 0.00 177.43 177.34 2nnl h ALA 237 N 1.43 0.91 0.11 -0.83 0.00 -0.67 -0.30 119.26 119.91 2nnl h ALA 237 Ca 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2nnl h ALA 237 Cb 0.71 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2nnl h ALA 237 CO 0.05 0.51 -0.16 0.45 0.00 0.00 0.00 179.25 180.10 2nnl h HIS 238 N 0.99 -0.41 -0.52 0.00 3.86 -1.06 0.19 115.15 118.20 2nnl h HIS 238 Ca 0.24 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 2nnl h HIS 238 Cb 0.17 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2nnl h HIS 238 CO 0.01 -0.24 0.20 0.82 0.86 0.00 0.00 177.93 179.59 2nnl h ILE 239 N -0.32 1.22 -0.34 2.45 2.04 -1.43 -1.88 117.51 119.25 2nnl h ILE 239 Ca 0.02 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2nnl h ILE 239 Cb 0.33 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2nnl h ILE 239 CO -0.08 0.26 0.02 0.22 0.00 0.00 0.00 178.15 178.57 2nnl h TYR 240 N 0.71 0.01 0.00 1.37 3.20 -0.82 -0.98 116.97 120.46 2nnl h TYR 240 Ca 0.17 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2nnl h TYR 240 Cb 0.21 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2nnl h TYR 240 CO 0.01 -0.04 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.07 2nnl h LEU 241 N 0.12 0.00 -0.16 2.82 3.38 -0.81 -0.47 115.31 120.19 2nnl h LEU 241 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2nnl h LEU 241 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2nnl h LEU 241 CO -0.26 0.35 -0.45 0.15 0.09 0.00 0.00 178.44 178.32 2nnl h PHE 242 N 0.00 0.76 0.00 1.13 3.57 -0.93 -3.32 116.94 118.15 2nnl h PHE 242 Ca -0.00 -0.30 -0.19 0.00 3.53 0.00 0.00 57.97 61.01 2nnl h PHE 242 Cb 0.99 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2nnl h PHE 242 CO 0.00 1.06 -0.91 0.93 -2.23 0.00 0.00 178.31 177.17 2nnl h GLU 243 N 0.23 0.02 -6.45 1.11 5.08 -1.12 -3.45 114.58 110.00 2nnl h GLU 243 Ca -0.01 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.76 2nnl h GLU 243 Cb 1.06 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2nnl h GLU 243 CO 0.10 0.91 1.04 1.21 -1.00 0.00 0.00 179.01 181.27 2nnl s ASN 244 N -6.77 6.46 0.46 1.42 3.84 -0.19 -4.91 114.94 115.25 2nnl s ASN 244 Ca 0.00 1.03 0.20 0.00 0.21 0.00 0.00 52.86 54.30 2nnl s ASN 244 Cb 0.11 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.39 2nnl s ASN 244 CO 0.81 -1.30 1.98 1.55 -2.79 0.00 0.00 177.10 177.35 2nnl h PRO 245 N 10.21 0.00 0.00 0.43 0.13 -1.88 -2.70 132.00 138.19 2nnl h PRO 245 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2nnl h PRO 245 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2nnl h PRO 245 CO 1.06 0.21 0.00 1.63 -0.23 0.00 0.00 178.00 180.67 2nnl n LYS 246 N -3.92 0.03 -2.18 0.86 4.01 -1.26 -4.85 118.16 110.85 2nnl n LYS 246 Ca -0.02 0.13 -0.42 0.00 -0.51 0.00 0.00 58.31 57.49 2nnl n LYS 246 Cb 0.29 -1.55 -0.03 0.00 -0.51 0.00 0.00 35.03 33.24 2nnl n LYS 246 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nnl s ALA 247 N -3.03 3.57 -0.02 7.82 0.00 -1.02 -5.03 121.76 124.05 2nnl s ALA 247 Ca 0.11 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 2nnl s ALA 247 Cb 0.15 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2nnl s ALA 247 CO 0.44 -0.60 0.09 -1.83 0.00 0.00 0.00 175.76 173.86 2nnl s GLU 248 N 0.79 0.20 2.73 0.00 4.04 -1.26 -5.03 118.70 120.17 2nnl s GLU 248 Ca 0.63 -0.04 0.00 0.00 0.04 0.00 0.00 54.97 55.60 2nnl s GLU 248 Cb -0.37 0.09 0.00 0.00 0.02 0.00 0.00 34.13 33.87 2nnl s GLU 248 CO 0.32 -0.03 0.00 0.41 -1.84 0.00 0.00 175.26 174.12 2nnl n GLY 249 N 2.60 -0.25 3.86 -3.83 0.00 -1.26 -4.86 105.19 101.44 2nnl n GLY 249 Ca -0.15 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 2nnl n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnl s ARG 250 N 0.00 3.84 -0.10 1.61 0.52 -1.26 -2.59 118.95 120.97 2nnl s ARG 250 Ca 0.00 0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 55.49 2nnl s ARG 250 Cb 0.00 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.56 2nnl s ARG 250 CO 0.00 0.50 -0.06 0.71 0.02 0.00 0.00 175.30 176.47 2nnl s TYR 251 N -1.48 1.27 0.12 -0.53 1.51 -0.12 -4.93 117.35 113.20 2nnl s TYR 251 Ca 0.37 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 2nnl s TYR 251 Cb -0.14 -1.09 -0.07 0.00 -0.11 0.00 0.00 41.96 40.55 2nnl s TYR 251 CO 0.19 -0.43 1.15 0.42 -1.11 0.00 0.00 175.55 175.77 2nnl s ILE 252 N 1.59 3.94 -0.38 2.71 1.01 -1.26 0.15 121.20 128.96 2nnl s ILE 252 Ca 0.02 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.23 2nnl s ILE 252 Cb -0.13 -3.98 0.11 0.00 0.01 0.00 0.00 42.46 38.47 2nnl s ILE 252 CO -0.06 0.20 0.11 0.00 0.00 0.00 0.00 174.94 175.19 2nnl s SER 254 N 0.70 -0.46 -0.02 0.00 0.15 -1.26 -3.18 113.70 109.62 2nnl s SER 254 Ca 0.13 0.82 0.11 0.00 0.70 0.00 0.00 55.95 57.71 2nnl s SER 254 Cb -0.21 0.72 -0.17 0.00 -1.71 0.00 0.00 66.02 64.65 2nnl s SER 254 CO -0.08 -0.18 0.23 -1.54 1.20 0.00 0.00 173.24 172.87 2nnl n SER 255 N 4.10 2.47 -3.81 5.45 3.41 -0.73 -4.51 113.62 120.00 2nnl n SER 255 Ca -0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.26 2nnl n SER 255 Cb 0.55 1.47 -0.09 0.00 -0.26 0.00 0.00 64.21 65.88 2nnl n SER 255 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2nnl s HIS 256 N -2.74 -0.09 -0.09 7.33 3.76 -1.04 -5.02 115.29 117.39 2nnl s HIS 256 Ca -0.04 0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.92 2nnl s HIS 256 Cb 0.07 0.04 0.03 0.00 1.11 0.00 0.00 32.58 33.82 2nnl s HIS 256 CO 0.46 -0.33 0.22 0.16 -0.85 0.00 0.00 174.74 174.39 2nnl s ASP 257 N -1.28 -0.23 -0.01 1.40 -4.77 -1.26 -0.96 116.67 109.56 2nnl s ASP 257 Ca -0.13 0.45 -0.28 0.00 -3.30 0.00 0.00 52.55 49.28 2nnl s ASP 257 Cb -0.06 0.42 0.10 0.00 -1.09 0.00 0.00 42.92 42.28 2nnl s ASP 257 CO 0.03 -0.10 0.81 0.00 0.70 0.00 0.00 175.17 176.61 2nnl s ILE 259 N -2.50 4.20 0.46 0.00 -4.36 -1.26 -1.60 121.20 116.13 2nnl s ILE 259 Ca -0.00 0.75 0.23 0.00 -0.26 0.00 0.00 60.65 61.37 2nnl s ILE 259 Cb -0.01 -3.53 0.42 0.00 1.25 0.00 0.00 42.46 40.59 2nnl s ILE 259 CO -0.04 -0.89 1.86 -0.29 0.24 0.00 0.00 174.94 175.81 2nnl h ILE 260 N -0.46 0.62 -0.66 8.37 2.10 -1.07 -0.75 117.51 125.66 2nnl h ILE 260 Ca -0.44 -0.09 -0.03 0.00 1.08 0.00 0.00 64.86 65.38 2nnl h ILE 260 Cb 1.20 0.34 -0.03 0.00 -1.09 0.00 0.00 36.82 37.24 2nnl h ILE 260 CO 0.58 0.05 0.29 -0.07 -1.08 0.00 0.00 178.15 177.92 2nnl h LEU 261 N 0.26 0.89 -0.65 2.19 3.38 -1.90 -0.62 115.31 118.86 2nnl h LEU 261 Ca 0.46 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 2nnl h LEU 261 Cb 1.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2nnl h LEU 261 CO -0.13 0.80 -0.66 0.44 0.09 0.00 0.00 178.44 178.98 2nnl h ASP 262 N 0.92 0.11 -0.10 -0.43 3.32 -1.52 -1.79 116.42 116.93 2nnl h ASP 262 Ca 0.22 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2nnl h ASP 262 Cb 0.17 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2nnl h ASP 262 CO -0.02 0.73 -0.05 0.25 -1.72 0.00 0.00 179.24 178.43 2nnl h LEU 263 N 0.06 0.22 -0.95 1.55 5.85 -1.09 -2.86 115.31 118.10 2nnl h LEU 263 Ca -0.01 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 2nnl h LEU 263 Cb 1.17 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2nnl h LEU 263 CO 0.09 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 2nnl h ALA 264 N 0.64 1.13 -0.35 1.25 0.00 -1.08 -0.96 119.26 119.89 2nnl h ALA 264 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2nnl h ALA 264 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2nnl h ALA 264 CO 0.01 0.56 0.22 -0.22 0.00 0.00 0.00 179.25 179.82 2nnl h LYS 265 N 0.72 0.43 -0.59 0.00 3.64 -1.37 0.22 116.57 119.62 2nnl h LYS 265 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2nnl h LYS 265 Cb 0.44 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2nnl h LYS 265 CO 0.02 0.29 0.33 1.98 -2.27 0.00 0.00 179.45 179.79 2nnl h MET 266 N 0.44 0.82 -0.46 1.90 4.05 -1.24 -1.81 114.93 118.64 2nnl h MET 266 Ca 0.13 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 2nnl h MET 266 Cb -0.03 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 2nnl h MET 266 CO -0.05 0.62 -0.06 -0.07 0.23 0.00 0.00 176.91 177.59 2nnl h LEU 267 N 0.80 0.85 -0.78 3.39 3.38 -0.85 -2.58 115.31 119.51 2nnl h LEU 267 Ca 0.21 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2nnl h LEU 267 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2nnl h LEU 267 CO -0.03 0.99 0.32 0.03 0.09 0.00 0.00 178.44 179.84 2nnl h ARG 268 N 0.70 1.17 0.00 1.13 3.08 -0.41 0.22 114.38 120.26 2nnl h ARG 268 Ca 0.12 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2nnl h ARG 268 Cb 0.59 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2nnl h ARG 268 CO 0.04 0.94 -0.33 0.93 -1.07 0.00 0.00 179.97 180.48 2nnl h GLU 269 N 1.13 0.00 0.01 0.04 3.07 -1.31 -3.12 114.58 114.41 2nnl h GLU 269 Ca 0.26 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.79 2nnl h GLU 269 Cb 0.20 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 2nnl h GLU 269 CO -0.02 0.33 -2.03 1.17 -1.40 0.00 0.00 179.01 177.06 2nnl n LYS 270 N -3.47 0.66 -3.34 2.33 3.00 -0.98 -4.69 118.16 111.68 2nnl n LYS 270 Ca 0.00 0.17 -0.26 0.00 -0.00 0.00 0.00 58.31 58.23 2nnl n LYS 270 Cb 0.49 -1.67 -0.08 0.00 0.00 0.00 0.00 35.03 33.77 2nnl n LYS 270 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2nnl n TYR 271 N -2.99 1.45 0.31 5.64 4.01 0.74 -4.94 117.16 121.38 2nnl n TYR 271 Ca -0.26 -3.83 0.19 0.00 -0.16 0.00 0.00 57.90 53.84 2nnl n TYR 271 Cb 1.09 -0.41 1.03 0.00 -0.31 0.00 0.00 39.34 40.74 2nnl n TYR 271 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2nnl h PRO 272 N 4.27 0.00 0.00 -0.72 0.13 -1.77 -2.72 132.00 131.19 2nnl h PRO 272 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2nnl h PRO 272 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2nnl h PRO 272 CO 0.62 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.45 2nnl h GLU 273 N 0.00 0.00 -6.06 0.86 9.09 -1.92 -3.44 114.58 113.11 2nnl h GLU 273 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 2nnl h GLU 273 Cb 0.05 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.12 2nnl h GLU 273 CO 0.00 0.00 -0.48 0.71 0.05 0.00 0.00 179.01 179.29 2nnl s TYR 274 N -3.64 3.44 -1.14 2.06 2.02 -1.03 -1.16 117.35 117.91 2nnl s TYR 274 Ca -0.01 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.67 2nnl s TYR 274 Cb 0.09 -1.65 0.20 0.00 -0.40 0.00 0.00 41.96 40.20 2nnl s TYR 274 CO 0.36 0.52 1.28 -0.80 -1.57 0.00 0.00 175.55 175.34 2nnl s ASN 275 N -3.17 7.08 -0.29 2.29 0.02 -1.26 -4.95 114.94 114.66 2nnl s ASN 275 Ca 0.34 -3.05 -0.12 0.00 -1.02 0.00 0.00 52.86 49.01 2nnl s ASN 275 Cb -0.11 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.78 2nnl s ASN 275 CO 0.28 -0.64 0.24 -0.63 0.02 0.00 0.00 177.10 176.37 2nnl s ILE 276 N 0.85 5.27 0.70 0.60 1.01 -1.26 -4.81 121.20 123.56 2nnl s ILE 276 Ca 0.37 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.08 2nnl s ILE 276 Cb -0.05 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2nnl s ILE 276 CO -0.04 0.19 0.44 -2.65 0.00 0.00 0.00 174.94 172.89 2nnl n PRO 277 N 5.14 0.29 -0.00 2.79 -0.02 -1.26 -4.96 135.00 136.98 2nnl n PRO 277 Ca -0.12 0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.57 2nnl n PRO 277 Cb 0.51 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 32.14 2nnl n PRO 277 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2nnl n THR 278 N -2.26 0.00 -4.17 3.45 -2.24 -1.26 -4.86 114.28 102.95 2nnl n THR 278 Ca 0.10 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 2nnl n THR 278 Cb 0.50 0.45 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 2nnl n THR 278 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2nnl s GLU 279 N -2.90 0.47 -0.08 -0.78 8.01 -1.26 -5.07 118.70 117.09 2nnl s GLU 279 Ca -0.01 -0.29 0.02 0.00 0.01 0.00 0.00 54.97 54.70 2nnl s GLU 279 Cb 0.11 -0.43 0.01 0.00 -4.31 0.00 0.00 34.13 29.52 2nnl s GLU 279 CO 0.67 0.11 -0.15 -0.06 0.01 0.00 0.00 175.26 175.84 2nnl s PHE 280 N -0.32 1.79 0.15 1.61 0.40 -1.26 -5.11 117.98 115.24 2nnl s PHE 280 Ca 0.00 -0.73 -0.33 0.00 -0.60 0.00 0.00 56.93 55.27 2nnl s PHE 280 Cb -0.03 -1.28 -0.13 0.00 0.51 0.00 0.00 43.02 42.08 2nnl s PHE 280 CO -0.00 -0.35 1.64 0.36 0.70 0.00 0.00 175.22 177.56 2nnl n LYS 281 N 3.87 2.31 -1.01 0.44 0.00 -1.26 -2.07 118.16 120.44 2nnl n LYS 281 Ca -0.21 0.84 -0.00 0.00 -0.00 0.00 0.00 58.31 58.93 2nnl n LYS 281 Cb 0.52 -2.63 -0.00 0.00 -0.00 0.00 0.00 35.03 32.92 2nnl n LYS 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2nnl n GLY 282 N 3.63 0.46 2.93 2.58 0.00 -1.26 -5.04 105.19 108.50 2nnl n GLY 282 Ca 0.17 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 2nnl n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnl s VAL 283 N -1.99 0.68 0.28 1.61 1.01 -0.88 -5.10 120.40 116.00 2nnl s VAL 283 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2nnl s VAL 283 Cb 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2nnl s VAL 283 CO 0.00 0.25 0.10 1.51 0.00 0.00 0.00 175.10 176.96 2nnl s ASP 284 N 0.75 1.39 0.63 3.32 1.47 -1.26 -4.63 116.67 118.34 2nnl s ASP 284 Ca -0.11 -1.42 0.33 0.00 1.18 0.00 0.00 52.55 52.52 2nnl s ASP 284 Cb -0.14 0.19 1.83 0.00 -0.34 0.00 0.00 42.92 44.46 2nnl s ASP 284 CO 0.01 -0.75 2.11 -0.08 0.68 0.00 0.00 175.17 177.14 2nnl h GLU 285 N 2.31 0.00 0.00 2.11 4.22 -2.01 -1.58 114.58 119.64 2nnl h GLU 285 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.06 2nnl h GLU 285 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2nnl h GLU 285 CO 0.60 0.00 -0.11 0.09 -2.18 0.00 0.00 179.01 177.41 2nnl n ASN 286 N -3.39 0.46 -4.68 1.04 3.02 -1.26 -4.84 115.26 105.61 2nnl n ASN 286 Ca -0.00 0.43 -0.44 0.00 -0.03 0.00 0.00 54.58 54.53 2nnl n ASN 286 Cb 0.29 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 2nnl n ASN 286 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2nnl n LEU 287 N -1.89 3.84 -4.70 3.41 7.94 -0.60 -4.92 117.00 120.08 2nnl n LEU 287 Ca 0.06 0.98 -0.44 0.00 -1.11 0.00 0.00 56.01 55.50 2nnl n LEU 287 Cb 0.39 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.82 2nnl n LEU 287 CO 0.30 0.08 1.21 1.17 -1.11 0.00 0.00 177.39 179.04 2nnl n LYS 288 N 6.03 2.41 -2.42 1.96 4.81 -1.26 -4.93 118.16 124.76 2nnl n LYS 288 Ca 0.19 0.86 -0.40 0.00 -0.87 0.00 0.00 58.31 58.10 2nnl n LYS 288 Cb 0.35 -2.63 -0.04 0.00 0.02 0.00 0.00 35.03 32.74 2nnl n LYS 288 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nnl s SER 289 N 0.72 7.11 -0.21 3.14 0.15 -1.26 -4.87 113.70 118.47 2nnl s SER 289 Ca 0.72 2.31 -0.05 0.00 0.70 0.00 0.00 55.95 59.63 2nnl s SER 289 Cb -0.58 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.08 2nnl s SER 289 CO 0.42 -0.26 -0.01 -0.69 1.20 0.00 0.00 173.24 173.90 2nnl s VAL 290 N -1.22 3.77 -0.12 4.45 1.01 -1.26 -4.85 120.40 122.18 2nnl s VAL 290 Ca 0.47 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2nnl s VAL 290 Cb -0.32 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2nnl s VAL 290 CO 0.41 0.42 0.13 0.00 0.00 0.00 0.00 175.10 176.07 2nnl s PHE 292 N -0.99 3.16 -0.13 0.00 0.40 -1.26 -0.27 117.98 118.88 2nnl s PHE 292 Ca 0.15 -0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.05 2nnl s PHE 292 Cb -0.12 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.07 2nnl s PHE 292 CO 0.04 -0.28 0.78 0.45 0.70 0.00 0.00 175.22 176.91 2nnl s SER 293 N 1.68 6.97 -0.26 1.36 0.15 -0.12 -4.76 113.70 118.72 2nnl s SER 293 Ca 0.06 1.18 0.13 0.00 0.70 0.00 0.00 55.95 58.02 2nnl s SER 293 Cb -0.16 -2.44 0.71 0.00 -1.71 0.00 0.00 66.02 62.42 2nnl s SER 293 CO 0.07 -0.29 1.68 -1.20 1.20 0.00 0.00 173.24 174.70 2nnl n SER 294 N 4.69 4.76 -0.17 5.45 7.64 -1.26 -4.65 113.62 130.09 2nnl n SER 294 Ca 0.02 -3.12 -0.04 0.00 1.01 0.00 0.00 58.87 56.75 2nnl n SER 294 Cb 0.50 -0.67 0.15 0.00 -1.01 0.00 0.00 64.21 63.18 2nnl n SER 294 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2nnl h LYS 295 N 2.79 0.91 -0.64 1.43 3.64 -1.92 -0.96 116.57 121.82 2nnl h LYS 295 Ca 0.11 -0.19 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2nnl h LYS 295 Cb 1.97 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.59 2nnl h LYS 295 CO 0.51 0.81 0.30 -0.22 -2.27 0.00 0.00 179.45 178.59 2nnl h LYS 296 N 0.88 0.53 -0.00 1.90 3.64 -1.92 0.29 116.57 121.88 2nnl h LYS 296 Ca 0.19 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2nnl h LYS 296 Cb 0.31 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2nnl h LYS 296 CO -0.00 0.35 -0.00 1.25 -2.27 0.00 0.00 179.45 178.78 2nnl h LEU 297 N 0.54 0.01 -1.31 5.20 5.85 -1.56 -3.22 115.31 120.82 2nnl h LEU 297 Ca 0.31 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2nnl h LEU 297 Cb 0.31 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2nnl h LEU 297 CO -0.25 0.39 -0.34 0.71 -0.34 0.00 0.00 178.44 178.61 2nnl h THR 298 N -0.38 1.16 -0.06 1.05 1.35 -1.07 -2.21 112.91 112.74 2nnl h THR 298 Ca 0.00 -1.20 0.02 0.00 -0.55 0.00 0.00 66.41 64.68 2nnl h THR 298 Cb 0.38 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2nnl h THR 298 CO 0.00 0.33 0.06 0.44 -0.25 0.00 0.00 175.52 176.10 2nnl h ASP 299 N 0.00 0.00 0.60 5.36 3.32 -0.46 -2.09 116.42 123.15 2nnl h ASP 299 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2nnl h ASP 299 Cb 0.63 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2nnl h ASP 299 CO 0.04 0.00 -0.53 -0.07 -1.72 0.00 0.00 179.24 176.97 2nnl h LEU 300 N 0.00 0.00 0.00 1.55 3.38 -1.40 -3.47 115.31 115.37 2nnl h LEU 300 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2nnl h LEU 300 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2nnl h LEU 300 CO -0.00 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2nnl n GLY 301 N 0.09 0.47 3.74 0.83 0.00 -0.79 -5.13 105.19 104.41 2nnl n GLY 301 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2nnl n GLY 301 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nnl s PHE 302 N -1.15 3.40 -0.14 1.61 5.36 -1.23 -5.03 117.98 120.80 2nnl s PHE 302 Ca 0.00 1.45 0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2nnl s PHE 302 Cb 0.00 -3.45 0.01 0.00 -0.34 0.00 0.00 43.02 39.24 2nnl s PHE 302 CO 0.00 -1.22 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.11 2nnl s GLU 303 N -0.61 2.97 0.34 10.12 2.02 -1.26 -4.35 118.70 127.93 2nnl s GLU 303 Ca 0.51 -0.84 -0.28 0.00 0.02 0.00 0.00 54.97 54.38 2nnl s GLU 303 Cb -0.34 -2.39 -0.10 0.00 0.10 0.00 0.00 34.13 31.41 2nnl s GLU 303 CO 0.39 -0.00 1.25 -0.06 0.02 0.00 0.00 175.26 176.85 2nnl s PHE 304 N 0.79 3.12 -0.04 1.61 0.08 -1.26 -4.97 117.98 117.30 2nnl s PHE 304 Ca -0.08 1.49 0.06 0.00 0.12 0.00 0.00 56.93 58.53 2nnl s PHE 304 Cb -0.16 -3.56 -0.10 0.00 -0.57 0.00 0.00 43.02 38.64 2nnl s PHE 304 CO -0.01 -1.56 0.16 1.63 -0.10 0.00 0.00 175.22 175.33 2nnl n LYS 305 N 0.66 0.79 -4.40 0.44 4.76 -1.26 -5.06 118.16 114.09 2nnl n LYS 305 Ca 0.01 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.10 2nnl n LYS 305 Cb 0.43 -1.11 -0.12 0.00 -1.84 0.00 0.00 35.03 32.40 2nnl n LYS 305 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2nnl s TYR 306 N -2.34 2.51 0.45 2.13 1.51 -1.26 -5.14 117.35 115.21 2nnl s TYR 306 Ca -0.02 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 2nnl s TYR 306 Cb 0.04 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 2nnl s TYR 306 CO 0.27 0.35 0.62 -1.54 -1.11 0.00 0.00 175.55 174.14 2nnl s SER 307 N -1.97 5.59 0.27 2.29 1.04 -1.26 -4.90 113.70 114.76 2nnl s SER 307 Ca 0.17 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 2nnl s SER 307 Cb -0.10 -0.82 0.35 0.00 0.10 0.00 0.00 66.02 65.55 2nnl s SER 307 CO 0.08 -0.84 1.84 0.25 0.98 0.00 0.00 173.24 175.56 2nnl h LEU 308 N 0.49 0.89 -0.38 2.42 5.85 -1.99 -1.63 115.31 120.96 2nnl h LEU 308 Ca -0.41 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 2nnl h LEU 308 Cb 1.28 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2nnl h LEU 308 CO 0.48 0.80 -0.05 -0.33 -0.34 0.00 0.00 178.44 179.01 2nnl h GLU 309 N 0.95 0.71 -0.43 1.25 3.07 -1.99 -2.46 114.58 115.67 2nnl h GLU 309 Ca 0.22 -0.25 0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2nnl h GLU 309 Cb 0.19 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 27.96 2nnl h GLU 309 CO -0.02 0.83 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.78 2nnl h ASP 310 N 0.52 -0.70 -0.25 1.42 3.32 -1.83 -1.48 116.42 117.43 2nnl h ASP 310 Ca 0.10 0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.37 2nnl h ASP 310 Cb 0.54 0.38 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 2nnl h ASP 310 CO 0.03 -0.23 -0.11 0.24 -1.72 0.00 0.00 179.24 177.45 2nnl h MET 311 N -0.12 -0.07 0.09 3.56 2.86 -1.04 -2.00 114.93 118.22 2nnl h MET 311 Ca 0.21 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.59 2nnl h MET 311 Cb 0.44 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2nnl h MET 311 CO -0.50 -0.05 -1.14 0.74 1.06 0.00 0.00 176.91 177.01 2nnl h PHE 312 N -0.07 0.52 -0.41 -0.22 -1.00 -1.21 -2.10 116.94 112.44 2nnl h PHE 312 Ca 0.13 -0.35 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 2nnl h PHE 312 Cb 0.27 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 2nnl h PHE 312 CO -0.29 1.23 0.22 0.00 -1.61 0.00 0.00 178.31 177.87 2nnl h THR 313 N 0.12 1.15 -0.87 -1.55 1.03 -1.25 -0.27 112.91 111.27 2nnl h THR 313 Ca -0.12 -0.39 0.01 0.00 -0.01 0.00 0.00 66.41 65.90 2nnl h THR 313 Cb 1.84 0.67 -0.04 0.00 -1.07 0.00 0.00 68.15 69.55 2nnl h THR 313 CO 0.19 0.16 0.57 1.23 -0.01 0.00 0.00 175.52 177.66 2nnl h GLY 314 N 0.53 1.22 0.70 2.99 0.00 -1.35 0.11 103.07 107.27 2nnl h GLY 314 Ca 0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2nnl h GLY 314 CO -0.02 0.44 -0.06 0.00 0.00 0.00 0.00 176.54 176.90 2nnl h ALA 315 N 1.32 0.15 -0.38 3.60 0.00 -1.18 -2.41 119.26 120.36 2nnl h ALA 315 Ca 0.32 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2nnl h ALA 315 Cb -0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2nnl h ALA 315 CO -0.07 -0.06 -0.04 0.28 0.00 0.00 0.00 179.25 179.35 2nnl h VAL 316 N -0.13 1.27 -0.66 0.00 2.07 -0.90 -1.63 116.25 116.27 2nnl h VAL 316 Ca 0.02 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2nnl h VAL 316 Cb 0.52 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2nnl h VAL 316 CO 0.02 0.36 0.35 0.44 0.02 0.00 0.00 177.57 178.76 2nnl h ASP 317 N 0.50 0.84 -0.22 0.57 3.32 -0.87 -1.12 116.42 119.45 2nnl h ASP 317 Ca 0.10 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2nnl h ASP 317 Cb 0.54 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2nnl h ASP 317 CO 0.03 0.71 0.05 0.74 -1.72 0.00 0.00 179.24 179.05 2nnl h THR 318 N 0.91 1.21 -1.01 0.35 2.02 -1.37 -0.76 112.91 114.27 2nnl h THR 318 Ca 0.23 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.75 2nnl h THR 318 Cb 0.07 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2nnl h THR 318 CO -0.03 0.21 0.67 0.00 0.37 0.00 0.00 175.52 176.74 2nnl h ARG 320 N 1.35 -0.25 -0.97 0.00 3.08 -1.05 0.42 114.38 116.96 2nnl h ARG 320 Ca 0.37 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.58 2nnl h ARG 320 Cb -0.13 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 29.88 2nnl h ARG 320 CO -0.09 -0.06 0.59 0.00 -1.07 0.00 0.00 179.97 179.34 2nnl h ALA 321 N 0.39 1.51 -0.01 0.04 0.00 -0.79 -1.57 119.26 118.83 2nnl h ALA 321 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nnl h ALA 321 Cb 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2nnl h ALA 321 CO 0.04 0.10 -0.06 1.63 0.00 0.00 0.00 179.25 180.96 2nnl n LYS 322 N -4.70 1.33 -1.27 0.00 5.02 -0.41 -4.94 118.16 113.18 2nnl n LYS 322 Ca 0.20 -0.68 -0.05 0.00 -2.02 0.00 0.00 58.31 55.76 2nnl n LYS 322 Cb 0.43 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2nnl n LYS 322 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nnl n GLY 323 N 1.19 0.69 0.05 0.72 0.00 -0.59 -4.93 105.19 102.34 2nnl n GLY 323 Ca 0.18 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.50 2nnl n GLY 323 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nnl n LEU 324 N -0.60 0.66 -4.06 0.99 4.77 0.14 -4.81 117.00 114.09 2nnl n LEU 324 Ca -0.05 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 2nnl n LEU 324 Cb 0.22 -0.13 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 2nnl n LEU 324 CO 0.08 -0.02 -0.46 -0.22 -1.33 0.00 0.00 177.39 175.44 2nnl s LEU 325 N -4.19 1.97 0.68 2.23 2.96 -1.01 -4.97 118.68 116.35 2nnl s LEU 325 Ca 0.04 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 2nnl s LEU 325 Cb 0.13 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 46.20 2nnl s LEU 325 CO 0.76 0.13 1.17 -0.81 -1.32 0.00 0.00 176.35 176.28 2nnl n PRO 326 N 2.91 0.82 0.26 0.98 -0.04 -1.26 -4.37 135.00 134.29 2nnl n PRO 326 Ca -0.15 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2nnl n PRO 326 Cb 0.55 -2.40 0.65 0.00 -0.04 0.00 0.00 33.50 32.27 2nnl n PRO 326 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2nnl h PRO 327 N 0.14 0.00 -2.86 0.54 0.13 -1.98 -3.46 132.00 124.51 2nnl h PRO 327 Ca -0.49 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 2nnl h PRO 327 Cb 1.34 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 2nnl h PRO 327 CO 0.50 0.13 0.28 -1.54 -0.23 0.00 0.00 178.00 177.14 2nnl s SER 328 N -6.00 -0.29 -0.04 1.44 1.04 -1.26 -4.94 113.70 103.65 2nnl s SER 328 Ca -0.01 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 2nnl s SER 328 Cb 0.11 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 2nnl s SER 328 CO 0.58 -1.19 0.04 -1.00 0.98 0.00 0.00 173.24 172.65 2nnl s HIS 329 N -3.76 3.21 -2.09 5.02 3.76 -0.31 -4.99 115.29 116.14 2nnl s HIS 329 Ca 0.10 0.20 0.31 0.00 -0.15 0.00 0.00 55.06 55.52 2nnl s HIS 329 Cb -0.04 -1.76 1.76 0.00 1.11 0.00 0.00 32.58 33.65 2nnl s HIS 329 CO 0.03 0.51 2.15 0.39 -0.85 0.00 0.00 174.74 176.97