#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnl s THR 7 N 0.00 3.51 0.15 3.84 2.01 -1.26 -0.60 115.64 123.30 2nnl s THR 7 Ca 0.00 -0.60 0.11 0.00 0.31 0.00 0.00 61.69 61.51 2nnl s THR 7 Cb 0.00 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2nnl s THR 7 CO 0.00 0.29 -0.26 0.68 -0.69 0.00 0.00 174.62 174.65 2nnl s VAL 8 N 1.47 2.25 -0.19 3.82 -7.23 0.16 -0.00 120.40 120.67 2nnl s VAL 8 Ca 0.04 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 2nnl s VAL 8 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2nnl s VAL 8 CO -0.01 0.02 0.08 0.00 -0.31 0.00 0.00 175.10 174.87 2nnl s VAL 10 N 0.50 3.00 0.46 0.00 1.01 0.07 -0.44 120.40 124.99 2nnl s VAL 10 Ca 0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 2nnl s VAL 10 Cb -0.12 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 2nnl s VAL 10 CO 0.00 0.23 0.90 0.42 0.00 0.00 0.00 175.10 176.66 2nnl s THR 11 N 1.36 4.60 -1.33 3.92 -4.23 -0.20 -1.33 115.64 118.44 2nnl s THR 11 Ca 0.01 1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2nnl s THR 11 Cb -0.16 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 69.98 2nnl s THR 11 CO -0.04 -0.56 1.01 0.61 -0.54 0.00 0.00 174.62 175.09 2nnl n GLY 12 N -1.30 -0.47 0.09 3.99 0.00 -1.20 -3.28 105.19 103.01 2nnl n GLY 12 Ca 0.05 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.57 1.51 0.39 4.61 0.00 -0.90 -2.32 120.51 119.24 2nnl n ALA 13 Ca -0.02 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2nnl n ALA 13 Cb 0.57 -1.30 0.19 0.00 0.00 0.00 0.00 19.45 18.91 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 -4.21 0.00 4.64 -1.82 -2.53 113.55 109.63 2nnl h SER 14 Ca 0.00 -0.06 -0.45 0.00 -0.47 0.00 0.00 61.79 60.80 2nnl h SER 14 Cb 0.25 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.48 2nnl h SER 14 CO 0.00 0.03 0.40 -0.83 -0.87 0.00 0.00 176.83 175.56 2nnl s GLY 15 N -3.93 1.69 0.10 -0.77 0.00 -0.98 -4.67 107.32 98.76 2nnl s GLY 15 Ca 0.06 -0.96 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 2nnl s GLY 15 CO 0.69 -0.29 1.39 -2.75 0.00 0.00 0.00 173.10 172.14 2nnl h PHE 16 N -1.49 -1.26 0.03 1.90 3.57 -1.92 0.90 116.94 118.67 2nnl h PHE 16 Ca -0.45 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 60.99 2nnl h PHE 16 Cb 1.28 0.60 0.01 0.00 2.79 0.00 0.00 35.95 40.63 2nnl h PHE 16 CO -0.62 -0.33 -0.52 0.82 -2.23 0.00 0.00 178.31 175.43 2nnl h ILE 17 N -0.20 1.50 -0.52 1.41 2.04 -1.94 -3.29 117.51 116.50 2nnl h ILE 17 Ca 0.07 -2.15 0.09 0.00 1.00 0.00 0.00 64.86 63.87 2nnl h ILE 17 Cb 0.39 2.81 -0.07 0.00 -0.74 0.00 0.00 36.82 39.20 2nnl h ILE 17 CO -0.50 0.61 0.12 1.23 0.00 0.00 0.00 178.15 179.61 2nnl h GLY 18 N -0.31 0.65 1.45 5.37 0.00 -1.69 -0.89 103.07 107.65 2nnl h GLY 18 Ca -0.07 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 2nnl h GLY 18 CO 0.10 -0.07 -0.57 1.48 0.00 0.00 0.00 176.54 177.48 2nnl h SER 19 N 0.26 0.64 -0.54 0.19 4.64 -0.36 -2.10 113.55 116.29 2nnl h SER 19 Ca 0.26 -0.35 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 2nnl h SER 19 Cb 0.36 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2nnl h SER 19 CO -0.33 1.08 -0.13 -0.25 -0.87 0.00 0.00 176.83 176.32 2nnl h TRP 20 N 0.44 1.16 -0.54 4.77 2.91 -1.56 -1.93 115.95 121.20 2nnl h TRP 20 Ca 0.00 -0.25 -0.00 0.00 1.13 0.00 0.00 58.89 59.77 2nnl h TRP 20 Cb 1.13 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.47 2nnl h TRP 20 CO 0.05 1.08 0.33 1.25 -1.03 0.00 0.00 178.44 180.12 2nnl h LEU 21 N 0.91 0.66 -0.48 0.65 5.85 -1.11 -1.15 115.31 120.65 2nnl h LEU 21 Ca 0.14 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2nnl h LEU 21 Cb 0.70 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2nnl h LEU 21 CO 0.05 0.52 0.31 0.58 -0.34 0.00 0.00 178.44 179.57 2nnl h VAL 22 N 0.73 1.12 -0.08 1.05 2.07 -1.22 0.13 116.25 120.04 2nnl h VAL 22 Ca 0.19 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2nnl h VAL 22 Cb -0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2nnl h VAL 22 CO -0.04 0.12 -0.19 -0.03 0.02 0.00 0.00 177.57 177.45 2nnl h MET 23 N 0.64 -0.26 -0.38 1.57 1.85 -1.15 -0.40 114.93 116.81 2nnl h MET 23 Ca 0.18 0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.23 2nnl h MET 23 Cb -0.07 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 2nnl h MET 23 CO -0.04 -0.17 -0.01 0.00 -0.40 0.00 0.00 176.91 176.29 2nnl h ARG 24 N -0.27 0.60 -0.21 0.39 2.47 -0.92 -0.81 114.38 115.62 2nnl h ARG 24 Ca 0.08 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 2nnl h ARG 24 Cb 0.39 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2nnl h ARG 24 CO -0.23 0.63 -0.05 -0.07 0.56 0.00 0.00 179.97 180.81 2nnl h LEU 25 N 0.57 0.41 -0.75 3.04 3.38 -0.47 -2.15 115.31 119.34 2nnl h LEU 25 Ca 0.12 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2nnl h LEU 25 Cb 0.38 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2nnl h LEU 25 CO 0.01 0.68 0.23 -0.07 0.09 0.00 0.00 178.44 179.38 2nnl h LEU 26 N 0.14 1.09 -1.80 1.67 3.38 -0.89 -2.02 115.31 116.88 2nnl h LEU 26 Ca 0.05 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2nnl h LEU 26 Cb 0.50 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2nnl h LEU 26 CO 0.02 1.02 0.29 -0.33 0.09 0.00 0.00 178.44 179.53 2nnl h GLU 27 N 1.12 0.23 -0.01 1.13 5.08 -1.10 -2.29 114.58 118.73 2nnl h GLU 27 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2nnl h GLU 27 Cb 0.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2nnl h GLU 27 CO -0.01 0.15 -0.10 -2.13 -1.00 0.00 0.00 179.01 175.93 2nnl n ARG 28 N -4.46 1.20 -0.05 2.33 0.63 -0.81 -4.94 116.66 110.55 2nnl n ARG 28 Ca 0.06 -0.62 0.00 0.00 -0.92 0.00 0.00 57.85 56.37 2nnl n ARG 28 Cb 0.33 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.75 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 1.23 0.81 3.79 5.14 0.00 -0.86 -5.08 105.19 110.22 2nnl n GLY 29 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.04 2.85 -0.21 1.61 1.51 -0.83 -4.48 117.35 115.77 2nnl s TYR 30 Ca 0.00 1.55 -0.16 0.00 -1.01 0.00 0.00 57.07 57.44 2nnl s TYR 30 Cb 0.00 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.68 2nnl s TYR 30 CO 0.00 -1.22 0.43 0.99 -1.11 0.00 0.00 175.55 174.64 2nnl s THR 31 N -2.07 5.17 -0.14 -0.71 2.01 0.24 -4.49 115.64 115.65 2nnl s THR 31 Ca 0.68 0.76 -0.02 0.00 0.31 0.00 0.00 61.69 63.43 2nnl s THR 31 Cb -0.19 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2nnl s THR 31 CO 0.29 0.22 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 2nnl s VAL 32 N 1.46 3.41 -0.36 3.82 1.01 0.09 -0.67 120.40 129.17 2nnl s VAL 32 Ca 0.20 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2nnl s VAL 32 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2nnl s VAL 32 CO 0.08 0.51 0.20 -0.13 0.00 0.00 0.00 175.10 175.77 2nnl s ARG 33 N 0.32 3.03 -0.21 2.72 0.52 0.36 -1.82 118.95 123.87 2nnl s ARG 33 Ca -0.08 -0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 54.10 2nnl s ARG 33 Cb -0.15 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 2nnl s ARG 33 CO 0.04 -0.60 0.11 0.00 0.02 0.00 0.00 175.30 174.87 2nnl s ALA 34 N 1.59 3.51 0.06 2.13 0.00 -0.25 -0.75 121.76 128.05 2nnl s ALA 34 Ca 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2nnl s ALA 34 Cb -0.18 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 2nnl s ALA 34 CO 0.07 -0.03 0.28 0.95 0.00 0.00 0.00 175.76 177.02 2nnl s THR 35 N 0.76 5.29 0.04 0.00 -4.23 -0.44 -0.98 115.64 116.08 2nnl s THR 35 Ca 0.06 -0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.44 2nnl s THR 35 Cb -0.13 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2nnl s THR 35 CO 0.02 0.21 0.18 0.68 -0.54 0.00 0.00 174.62 175.17 2nnl s VAL 36 N -1.46 0.11 0.18 2.29 -7.23 -0.18 -2.12 120.40 111.99 2nnl s VAL 36 Ca 0.33 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 2nnl s VAL 36 Cb -0.13 -0.87 -0.11 0.00 0.56 0.00 0.00 36.38 35.83 2nnl s VAL 36 CO 0.22 -0.49 1.44 0.03 -0.31 0.00 0.00 175.10 175.98 2nnl h ARG 37 N 3.54 0.37 -2.87 4.82 3.08 -1.85 -1.31 114.38 120.16 2nnl h ARG 37 Ca -0.32 -0.31 -0.54 0.00 0.07 0.00 0.00 59.98 58.88 2nnl h ARG 37 Cb 1.19 0.07 -0.40 0.00 0.08 0.00 0.00 29.97 30.91 2nnl h ARG 37 CO 0.48 0.96 -0.78 0.34 -1.07 0.00 0.00 179.97 179.89 2nnl s ASP 38 N -6.97 3.56 0.06 7.04 2.15 -1.26 -4.61 116.67 116.64 2nnl s ASP 38 Ca -0.05 -1.40 0.19 0.00 0.43 0.00 0.00 52.55 51.72 2nnl s ASP 38 Cb 0.10 -0.42 0.81 0.00 -0.30 0.00 0.00 42.92 43.11 2nnl s ASP 38 CO 0.84 -0.43 1.61 -0.81 -0.17 0.00 0.00 175.17 176.21 2nnl n PRO 39 N 5.11 0.05 0.00 4.34 -0.04 -1.26 -2.68 135.00 140.53 2nnl n PRO 39 Ca -0.04 0.24 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 2nnl n PRO 39 Cb 0.42 -1.59 0.56 0.00 -0.04 0.00 0.00 33.50 32.85 2nnl n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nnl n THR 40 N -1.69 0.00 -2.63 0.52 -2.24 -1.26 -4.76 114.28 102.22 2nnl n THR 40 Ca 0.04 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2nnl n THR 40 Cb 0.23 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.58 6.58 0.27 3.42 3.84 -1.09 -4.91 114.94 120.47 2nnl s ASN 41 Ca 0.25 0.34 -0.01 0.00 0.21 0.00 0.00 52.86 53.65 2nnl s ASN 41 Cb 0.20 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.74 2nnl s ASN 41 CO 0.50 -1.27 1.78 0.58 -2.79 0.00 0.00 177.10 175.91 2nnl h VAL 42 N 6.20 1.23 0.00 -5.21 2.07 -1.90 -2.41 116.25 116.24 2nnl h VAL 42 Ca -0.24 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2nnl h VAL 42 Cb 1.06 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2nnl h VAL 42 CO 1.13 0.34 -0.07 0.11 0.02 0.00 0.00 177.57 179.09 2nnl h LYS 43 N 0.70 0.00 0.00 1.57 6.56 -1.99 -1.81 116.57 121.61 2nnl h LYS 43 Ca 0.14 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.60 2nnl h LYS 43 Cb 0.42 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.06 2nnl h LYS 43 CO 0.02 0.07 -1.39 1.63 -2.06 0.00 0.00 179.45 177.72 2nnl n LYS 44 N -3.21 0.62 -0.01 3.15 4.76 -0.95 -4.44 118.16 118.09 2nnl n LYS 44 Ca 0.00 0.17 0.01 0.00 -2.87 0.00 0.00 58.31 55.62 2nnl n LYS 44 Cb 0.33 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 2nnl n LYS 44 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2nnl n VAL 45 N -2.80 0.06 -0.30 -0.18 0.24 -0.97 -4.62 118.33 109.76 2nnl n VAL 45 Ca -0.08 -0.09 -0.05 0.00 -2.04 0.00 0.00 64.34 62.08 2nnl n VAL 45 Cb 0.77 0.06 0.07 0.00 -1.47 0.00 0.00 33.84 33.27 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 1.14 0.00 7.34 3.64 -1.58 -1.49 116.57 125.62 2nnl h LYS 46 Ca -0.02 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2nnl h LYS 46 Cb 0.44 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2nnl h LYS 46 CO 0.00 0.84 -0.21 1.12 -2.27 0.00 0.00 179.45 178.93 2nnl h HIS 47 N 1.13 0.00 -0.06 1.91 2.07 -1.84 -1.08 115.15 117.28 2nnl h HIS 47 Ca 0.29 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.56 2nnl h HIS 47 Cb 0.04 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.03 2nnl h HIS 47 CO 0.00 0.21 -0.92 -0.07 -3.07 0.00 0.00 177.93 174.08 2nnl h LEU 48 N 0.00 0.92 -0.58 6.12 3.38 -1.67 -3.32 115.31 120.15 2nnl h LEU 48 Ca -0.00 -0.69 -0.13 0.00 0.09 0.00 0.00 57.88 57.14 2nnl h LEU 48 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2nnl h LEU 48 CO 0.03 1.48 -0.62 -0.07 0.09 0.00 0.00 178.44 179.34 2nnl h LEU 49 N 0.44 0.00 0.00 1.67 3.38 -0.87 -2.79 115.31 117.15 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 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2nnl h LEU 49 CO 0.18 0.62 0.00 0.47 0.09 0.00 0.00 178.44 179.81 2nnl n ASP 50 N -3.59 0.00 -4.77 -0.43 8.00 -0.45 -4.68 116.55 110.64 2nnl n ASP 50 Ca -0.00 -0.74 -0.40 0.00 0.71 0.00 0.00 54.79 54.36 2nnl n ASP 50 Cb 0.67 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.11 4.41 0.14 0.64 1.43 -1.05 -4.96 118.68 117.18 2nnl s LEU 51 Ca 0.40 2.36 -0.31 0.00 -1.03 0.00 0.00 54.13 55.55 2nnl s LEU 51 Cb 0.19 -3.77 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 2nnl s LEU 51 CO 0.35 -0.38 1.76 -2.16 0.23 0.00 0.00 176.35 176.15 2nnl s PRO 52 N -1.81 4.15 0.00 1.29 0.04 -1.26 -1.73 135.00 135.68 2nnl s PRO 52 Ca 0.49 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.08 2nnl s PRO 52 Cb -0.33 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2nnl s PRO 52 CO 0.42 -0.79 0.00 1.63 0.04 0.00 0.00 177.00 178.30 2nnl n LYS 53 N 5.12 0.00 -0.07 4.56 5.02 -1.26 -4.68 118.16 126.85 2nnl n LYS 53 Ca 0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 2nnl n LYS 53 Cb 0.38 -0.98 -0.01 0.00 -0.02 0.00 0.00 35.03 34.40 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 0.29 -0.88 7.82 0.00 -1.61 0.34 119.26 125.22 2nnl h ALA 54 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2nnl h ALA 54 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2nnl h ALA 54 CO 0.00 -0.34 0.57 0.93 0.00 0.00 0.00 179.25 180.41 2nnl h GLU 55 N 0.18 0.89 0.00 0.00 5.08 -1.83 -2.22 114.58 116.68 2nnl h GLU 55 Ca 0.12 -0.05 -0.37 0.00 -1.00 0.00 0.00 59.36 58.06 2nnl h GLU 55 Cb 0.11 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.09 2nnl h GLU 55 CO -0.14 0.59 -2.35 0.25 -1.00 0.00 0.00 179.01 176.36 2nnl n THR 56 N -4.51 1.44 0.17 1.13 -2.24 -1.11 -4.73 114.28 104.43 2nnl n THR 56 Ca 0.14 -0.78 0.02 0.00 -2.27 0.00 0.00 64.05 61.16 2nnl n THR 56 Cb 0.26 -0.77 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.91 0.02 -4.89 4.78 8.25 0.12 -4.99 115.22 115.60 2nnl n HIS 57 Ca -0.35 -0.05 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 2nnl n HIS 57 Cb 1.11 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.44 1.94 0.20 2.41 2.96 -0.84 -0.73 118.68 124.17 2nnl s LEU 58 Ca 0.06 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.59 2nnl s LEU 58 Cb 0.04 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 2nnl s LEU 58 CO 0.06 0.10 -0.22 0.42 -1.32 0.00 0.00 176.35 175.39 2nnl s THR 59 N 0.58 2.47 -0.05 3.68 -4.23 -0.76 -4.77 115.64 112.56 2nnl s THR 59 Ca -0.14 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 2nnl s THR 59 Cb -0.17 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 2nnl s THR 59 CO 0.05 -0.14 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.16 2nnl s LEU 60 N -2.75 3.17 -0.03 4.79 1.43 -1.26 -1.08 118.68 122.94 2nnl s LEU 60 Ca 0.22 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2nnl s LEU 60 Cb -0.08 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2nnl s LEU 60 CO 0.11 0.34 -0.08 0.26 0.23 0.00 0.00 176.35 177.21 2nnl s TRP 61 N -0.86 0.90 -0.14 0.29 0.52 -0.15 -4.94 118.94 114.56 2nnl s TRP 61 Ca 0.14 -0.24 -0.25 0.00 0.02 0.00 0.00 56.10 55.77 2nnl s TRP 61 Cb -0.11 -0.68 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 2nnl s TRP 61 CO 0.03 -0.13 0.79 0.21 0.02 0.00 0.00 176.95 177.86 2nnl s LYS 62 N 0.42 4.33 -0.10 4.98 2.20 -1.26 -1.01 119.74 129.30 2nnl s LYS 62 Ca -0.06 0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 2nnl s LYS 62 Cb -0.11 -3.54 0.07 0.00 -1.51 0.00 0.00 37.83 32.75 2nnl s LYS 62 CO 0.01 -0.21 0.69 0.00 -0.36 0.00 0.00 175.35 175.47 2nnl s ALA 63 N 1.76 -1.77 -0.01 3.13 0.00 -0.50 -4.91 121.76 119.45 2nnl s ALA 63 Ca 0.38 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.83 2nnl s ALA 63 Cb -0.17 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2nnl s ALA 63 CO 0.14 -0.36 -0.02 0.34 0.00 0.00 0.00 175.76 175.86 2nnl s ASP 64 N -0.82 0.38 0.52 0.00 -1.08 -1.26 -3.44 116.67 110.96 2nnl s ASP 64 Ca -0.08 -0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.14 2nnl s ASP 64 Cb -0.01 -0.11 1.41 0.00 -1.46 0.00 0.00 42.92 42.75 2nnl s ASP 64 CO 0.08 -0.01 2.09 -0.07 0.52 0.00 0.00 175.17 177.78 2nnl h LEU 65 N 6.51 0.00 -1.53 -1.34 3.38 -1.96 -1.97 115.31 118.40 2nnl h LEU 65 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2nnl h LEU 65 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2nnl h LEU 65 CO 0.50 0.11 -0.11 0.00 0.09 0.00 0.00 178.44 179.02 2nnl h ALA 66 N 1.89 1.07 -2.95 1.53 0.00 -1.97 -3.31 119.26 115.53 2nnl h ALA 66 Ca -0.00 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.18 2nnl h ALA 66 Cb 0.25 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.87 2nnl h ALA 66 CO 0.01 0.14 -0.47 -0.51 0.00 0.00 0.00 179.25 178.42 2nnl s ASP 67 N -5.95 6.10 0.17 0.00 1.01 -0.74 -5.05 116.67 112.22 2nnl s ASP 67 Ca -0.00 0.09 -0.32 0.00 0.71 0.00 0.00 52.55 53.03 2nnl s ASP 67 Cb 0.11 -2.13 -0.10 0.00 1.01 0.00 0.00 42.92 41.80 2nnl s ASP 67 CO 0.58 -0.02 1.58 -1.83 0.21 0.00 0.00 175.17 175.69 2nnl s GLU 68 N 1.50 4.21 0.00 8.23 -1.05 -1.26 -2.75 118.70 127.57 2nnl s GLU 68 Ca 0.09 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 2nnl s GLU 68 Cb -0.15 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 2nnl s GLU 68 CO 0.08 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.08 2nnl n GLY 69 N 3.76 0.53 0.11 -3.83 0.00 -1.26 -4.91 105.19 99.59 2nnl n GLY 69 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2nnl n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nnl n SER 70 N -0.14 0.54 -0.94 1.61 3.41 -1.11 -1.99 113.62 114.99 2nnl n SER 70 Ca 0.00 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2nnl n SER 70 Cb 0.07 -0.75 0.12 0.00 -0.26 0.00 0.00 64.21 63.39 2nnl n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2nnl n PHE 71 N -2.11 0.01 -0.15 7.33 3.01 -1.26 -4.55 117.46 119.73 2nnl n PHE 71 Ca 0.02 -0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 2nnl n PHE 71 Cb 0.20 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.72 2nnl n PHE 71 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2nnl h ASP 72 N 4.61 -0.14 -0.05 4.37 5.19 -1.75 -1.96 116.42 126.68 2nnl h ASP 72 Ca 0.00 0.10 -0.20 0.00 -0.62 0.00 0.00 57.03 56.31 2nnl h ASP 72 Cb 0.98 0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.68 2nnl h ASP 72 CO 0.00 -0.04 -0.76 -0.33 -3.12 0.00 0.00 179.24 174.99 2nnl h GLU 73 N 0.15 0.61 -0.83 3.56 3.07 -1.81 -2.59 114.58 116.73 2nnl h GLU 73 Ca 0.24 -0.58 0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2nnl h GLU 73 Cb 0.35 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2nnl h GLU 73 CO -0.37 1.20 0.54 0.00 -1.40 0.00 0.00 179.01 178.98 2nnl h ALA 74 N 0.42 1.39 0.10 3.43 0.00 -1.84 -3.24 119.26 119.53 2nnl h ALA 74 Ca -0.08 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2nnl h ALA 74 Cb 1.42 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2nnl h ALA 74 CO 0.15 0.56 -1.27 0.82 0.00 0.00 0.00 179.25 179.52 2nnl h ILE 75 N 1.14 1.45 -2.03 0.00 2.04 -1.34 -3.43 117.51 115.34 2nnl h ILE 75 Ca 0.30 -3.07 -0.61 0.00 1.00 0.00 0.00 64.86 62.48 2nnl h ILE 75 Cb -0.11 2.88 0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2nnl h ILE 75 CO -0.06 0.88 1.11 1.17 0.00 0.00 0.00 178.15 181.25 2nnl n LYS 76 N -3.47 2.20 0.00 2.37 4.81 -0.98 -1.66 118.16 121.43 2nnl n LYS 76 Ca -0.09 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2nnl n LYS 76 Cb 1.01 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 33.40 2nnl n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nnl n GLY 77 N 4.45 2.86 3.79 3.14 0.00 -1.26 -5.00 105.19 113.16 2nnl n GLY 77 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 0.00 -3.46 0.00 -2.24 1.00 -2.75 114.28 106.30 2nnl n THR 79 Ca 0.07 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2nnl n THR 79 Cb 0.51 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.94 -0.57 -0.03 3.38 0.00 -1.24 -0.47 107.32 105.45 2nnl s GLY 80 Ca 0.10 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.63 2nnl s GLY 80 CO 0.79 0.37 -0.02 0.14 0.00 0.00 0.00 173.10 174.37 2nnl s VAL 81 N -3.08 0.35 -0.38 1.40 1.01 -0.99 -1.60 120.40 117.11 2nnl s VAL 81 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2nnl s VAL 81 Cb -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 36.03 2nnl s VAL 81 CO -0.08 0.17 0.20 -0.36 0.00 0.00 0.00 175.10 175.04 2nnl s PHE 82 N 0.84 3.30 -0.65 5.22 0.08 0.42 -0.64 117.98 126.54 2nnl s PHE 82 Ca -0.10 -1.39 -0.23 0.00 0.12 0.00 0.00 56.93 55.33 2nnl s PHE 82 Cb -0.13 -2.64 0.06 0.00 -0.57 0.00 0.00 43.02 39.74 2nnl s PHE 82 CO -0.01 -0.77 0.99 -1.58 -0.10 0.00 0.00 175.22 173.76 2nnl s HIS 83 N 1.44 2.65 -0.02 0.36 5.65 -0.45 -1.03 115.29 123.88 2nnl s HIS 83 Ca 0.01 -0.40 0.07 0.00 0.25 0.00 0.00 55.06 55.00 2nnl s HIS 83 Cb -0.21 -4.29 -0.11 0.00 -1.18 0.00 0.00 32.58 26.80 2nnl s HIS 83 CO 0.03 -1.64 0.13 0.28 -0.65 0.00 0.00 174.74 172.88 2nnl n VAL 84 N 6.02 0.11 -2.21 0.89 0.31 -1.23 -1.96 118.33 120.26 2nnl n VAL 84 Ca -0.02 -0.19 -0.38 0.00 -0.01 0.00 0.00 64.34 63.74 2nnl n VAL 84 Cb 0.46 0.05 -0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 -2.42 3.05 -0.25 3.52 0.00 -1.21 -4.85 121.76 119.61 2nnl s ALA 85 Ca -0.03 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 2nnl s ALA 85 Cb 0.04 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.86 2nnl s ALA 85 CO 0.29 -0.70 0.97 -0.08 0.00 0.00 0.00 175.76 176.25 2nnl s THR 86 N -1.45 0.00 -0.12 0.00 -1.32 -1.26 -4.94 115.64 106.55 2nnl s THR 86 Ca 0.61 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.76 2nnl s THR 86 Cb -0.31 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.57 2nnl s THR 86 CO 0.39 0.00 1.94 -2.65 -2.21 0.00 0.00 174.62 172.09 2nnl n PRO 87 N 1.94 2.09 -0.22 7.08 -0.02 -1.26 -4.93 135.00 139.67 2nnl n PRO 87 Ca -0.13 0.74 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 2nnl n PRO 87 Cb 0.56 -2.69 0.17 0.00 -0.02 0.00 0.00 33.50 31.52 2nnl n PRO 87 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2nnl n MET 88 N 7.02 2.89 -2.51 -0.52 2.81 -1.26 -4.97 117.12 120.57 2nnl n MET 88 Ca 0.25 -2.17 -0.43 0.00 -1.81 0.00 0.00 57.70 53.54 2nnl n MET 88 Cb 0.31 -1.35 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.13 6.79 0.33 7.83 2.15 -1.26 -4.89 116.67 126.48 2nnl s ASP 89 Ca 0.26 1.17 0.23 0.00 0.43 0.00 0.00 52.55 54.63 2nnl s ASP 89 Cb 0.15 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.43 2nnl s ASP 89 CO 0.15 -0.99 1.36 -0.26 -0.17 0.00 0.00 175.17 175.27 2nnl h PHE 90 N 8.76 0.00 -0.43 -5.34 0.04 -1.97 -3.38 116.94 114.62 2nnl h PHE 90 Ca -0.24 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.31 2nnl h PHE 90 Cb 1.08 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.10 2nnl h PHE 90 CO 0.86 0.00 0.01 0.39 -0.60 0.00 0.00 178.31 178.97 2nnl n GLU 91 N -2.89 1.93 -2.28 1.51 1.02 -1.26 -4.69 120.64 113.97 2nnl n GLU 91 Ca 0.02 -3.16 -0.41 0.00 -0.02 0.00 0.00 57.16 53.59 2nnl n GLU 91 Cb 0.54 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.37 6.98 0.31 1.62 0.15 -1.26 -4.94 113.70 114.19 2nnl s SER 92 Ca 0.46 2.34 0.24 0.00 0.70 0.00 0.00 55.95 59.69 2nnl s SER 92 Cb 0.41 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.48 2nnl s SER 92 CO 0.01 -0.46 1.50 0.07 1.20 0.00 0.00 173.24 175.57 2nnl h LYS 93 N 5.20 0.00 -2.57 5.44 -0.00 -1.98 -3.36 116.57 119.30 2nnl h LYS 93 Ca -0.45 0.00 -0.60 0.00 -0.00 0.00 0.00 60.65 59.60 2nnl h LYS 93 Cb 1.21 0.00 -0.41 0.00 -0.00 0.00 0.00 32.23 33.03 2nnl h LYS 93 CO 0.75 0.00 -0.68 -3.47 -0.00 0.00 0.00 179.45 176.05 2nnl n ASP 94 N -2.74 2.58 -0.36 7.07 2.03 -1.26 -4.98 116.55 118.89 2nnl n ASP 94 Ca 0.03 -3.14 0.01 0.00 0.52 0.00 0.00 54.79 52.21 2nnl n ASP 94 Cb 0.50 -0.69 0.15 0.00 -0.72 0.00 0.00 41.12 40.36 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 4.84 1.15 -0.52 -0.67 0.11 -1.98 -1.50 132.00 133.44 2nnl h PRO 95 Ca 0.17 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 2nnl h PRO 95 Cb 0.75 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 2nnl h PRO 95 CO 0.69 0.76 0.09 0.93 -0.21 0.00 0.00 178.00 180.27 2nnl h GLU 96 N 1.18 0.86 0.06 1.05 4.39 -1.96 -1.46 114.58 118.70 2nnl h GLU 96 Ca 0.40 -0.22 -0.35 0.00 0.34 0.00 0.00 59.36 59.53 2nnl h GLU 96 Cb 0.08 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 2nnl h GLU 96 CO -0.15 0.84 -2.01 0.09 -1.16 0.00 0.00 179.01 176.62 2nnl n ASN 97 N -4.40 1.50 0.15 1.42 3.02 -1.15 -1.37 115.26 114.43 2nnl n ASN 97 Ca 0.02 0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.87 2nnl n ASN 97 Cb 0.25 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.03 0.00 0.00 3.52 5.08 -1.39 -3.38 114.58 118.44 2nnl h GLU 98 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 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 0.08 0.00 0.28 -1.00 0.00 0.00 179.01 178.43 2nnl n VAL 99 N -2.94 0.45 0.20 3.13 0.31 -1.06 -4.84 118.33 113.59 2nnl n VAL 99 Ca 0.01 0.15 -0.15 0.00 -0.01 0.00 0.00 64.34 64.34 2nnl n VAL 99 Cb 0.59 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.65 0.18 2.52 2.04 -1.34 -2.61 117.51 118.94 2nnl h ILE 100 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2nnl h ILE 100 Cb 0.00 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2nnl h ILE 100 CO 0.00 0.00 -0.09 0.50 0.00 0.00 0.00 178.15 178.56 2nnl h LYS 101 N -0.46 -0.23 -0.02 2.37 3.64 -1.46 -2.72 116.57 117.69 2nnl h LYS 101 Ca -0.04 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2nnl h LYS 101 Cb 0.36 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2nnl h LYS 101 CO 0.06 -0.01 -0.10 -1.00 -2.27 0.00 0.00 179.45 176.13 2nnl h PRO 102 N -0.43 0.03 -0.07 1.90 0.13 -1.74 -0.87 132.00 130.95 2nnl h PRO 102 Ca -0.02 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2nnl h PRO 102 Cb 0.33 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2nnl h PRO 102 CO 0.04 0.13 0.04 1.15 -0.23 0.00 0.00 178.00 179.13 2nnl h THR 103 N 0.03 1.10 -0.07 1.56 2.02 -1.33 0.77 112.91 117.00 2nnl h THR 103 Ca 0.01 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2nnl h THR 103 Cb 0.19 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2nnl h THR 103 CO 0.01 0.09 -0.05 0.40 0.37 0.00 0.00 175.52 176.34 2nnl h ILE 104 N -0.00 1.35 -0.15 3.11 2.04 -1.31 -2.14 117.51 120.40 2nnl h ILE 104 Ca 0.02 -1.13 -0.17 0.00 1.00 0.00 0.00 64.86 64.58 2nnl h ILE 104 Cb 0.11 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2nnl h ILE 104 CO -0.00 0.31 -0.63 -0.33 0.00 0.00 0.00 178.15 177.50 2nnl h GLU 105 N -0.25 0.54 -0.01 2.37 5.08 -1.23 -1.08 114.58 120.00 2nnl h GLU 105 Ca 0.01 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2nnl h GLU 105 Cb 0.53 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2nnl h GLU 105 CO 0.01 0.99 -0.12 0.78 -1.00 0.00 0.00 179.01 179.68 2nnl h GLY 106 N 1.07 -0.13 0.30 -3.84 0.00 -0.92 0.27 103.07 99.82 2nnl h GLY 106 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.51 2nnl h GLY 106 CO 0.12 -0.12 -0.21 1.98 0.00 0.00 0.00 176.54 178.30 2nnl h MET 107 N -0.19 -0.25 -0.57 4.80 1.85 -1.24 0.10 114.93 119.43 2nnl h MET 107 Ca 0.05 0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.07 2nnl h MET 107 Cb 0.25 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 2nnl h MET 107 CO -0.13 -0.16 0.03 -0.07 -0.40 0.00 0.00 176.91 176.18 2nnl h LEU 108 N -0.26 0.93 -0.68 3.39 3.38 -1.06 -1.89 115.31 119.12 2nnl h LEU 108 Ca 0.11 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2nnl h LEU 108 Cb 0.42 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2nnl h LEU 108 CO -0.31 0.97 0.37 1.23 0.09 0.00 0.00 178.44 180.79 2nnl h GLY 109 N 1.01 1.00 1.43 0.83 0.00 -0.06 -0.57 103.07 106.70 2nnl h GLY 109 Ca 0.17 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2nnl h GLY 109 CO 0.02 0.14 -0.11 -2.22 0.00 0.00 0.00 176.54 174.37 2nnl h ILE 110 N 0.67 1.25 -0.44 2.60 2.04 -0.57 0.29 117.51 123.35 2nnl h ILE 110 Ca 0.31 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 2nnl h ILE 110 Cb 0.23 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2nnl h ILE 110 CO -0.20 0.38 -0.14 0.24 0.00 0.00 0.00 178.15 178.42 2nnl h MET 111 N 0.62 0.83 -0.22 2.37 2.86 -0.80 0.03 114.93 120.62 2nnl h MET 111 Ca 0.11 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 2nnl h MET 111 Cb 0.55 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 2nnl h MET 111 CO 0.03 0.92 -0.19 0.87 1.06 0.00 0.00 176.91 179.61 2nnl h LYS 112 N 0.74 0.51 -0.96 1.72 1.57 -0.91 -1.46 116.57 117.77 2nnl h LYS 112 Ca 0.12 -0.26 0.17 0.00 -1.87 0.00 0.00 60.65 58.81 2nnl h LYS 112 Cb 0.65 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 2nnl h LYS 112 CO 0.05 0.83 0.61 0.77 -0.57 0.00 0.00 179.45 181.14 2nnl h SER 113 N 0.20 0.71 0.05 0.86 0.02 -0.14 0.52 113.55 115.76 2nnl h SER 113 Ca 0.04 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2nnl h SER 113 Cb 0.73 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2nnl h SER 113 CO 0.05 0.30 -0.02 0.00 -1.14 0.00 0.00 176.83 176.02 2nnl h ALA 115 N 0.49 0.77 0.00 0.00 0.00 -0.48 -1.66 119.26 118.38 2nnl h ALA 115 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2nnl h ALA 115 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2nnl h ALA 115 CO 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.04 2nnl h ALA 116 N 1.35 1.37 -0.13 0.00 0.00 -0.96 -3.10 119.26 117.80 2nnl h ALA 116 Ca 0.28 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 2nnl h ALA 116 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2nnl h ALA 116 CO -0.23 0.15 -0.75 0.00 0.00 0.00 0.00 179.25 178.42 2nnl h ALA 117 N 1.88 0.42 0.00 0.00 0.00 -0.84 -3.47 119.26 117.25 2nnl h ALA 117 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2nnl h ALA 117 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2nnl h ALA 117 CO 0.02 0.71 0.00 1.63 0.00 0.00 0.00 179.25 181.61 2nnl n LYS 118 N -3.90 0.00 0.04 0.00 4.01 -1.13 -4.65 118.16 112.54 2nnl n LYS 118 Ca -0.06 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.85 2nnl n LYS 118 Cb 0.73 -2.19 -0.07 0.00 -0.51 0.00 0.00 35.03 32.98 2nnl n LYS 118 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2nnl n THR 119 N -1.86 0.30 -2.55 -0.18 -2.24 -1.26 -4.92 114.28 101.56 2nnl n THR 119 Ca 0.00 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 2nnl n THR 119 Cb 0.00 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 2nnl n THR 119 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2nnl s VAL 120 N -3.41 4.40 -0.22 2.28 1.01 -1.11 -4.25 120.40 119.10 2nnl s VAL 120 Ca -0.03 1.63 0.21 0.00 0.00 0.00 0.00 61.98 63.79 2nnl s VAL 120 Cb 0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2nnl s VAL 120 CO 0.85 -0.39 1.07 0.08 0.00 0.00 0.00 175.10 176.71 2nnl h ARG 121 N 8.33 0.00 -2.13 2.72 0.11 -1.03 -3.47 114.38 118.91 2nnl h ARG 121 Ca -0.23 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.82 2nnl h ARG 121 Cb 1.08 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 31.94 2nnl h ARG 121 CO 1.02 0.11 0.01 0.50 0.10 0.00 0.00 179.97 181.71 2nnl s ARG 122 N -3.21 0.71 -0.20 0.08 3.52 -1.24 -4.63 118.95 113.99 2nnl s ARG 122 Ca -0.00 1.02 -0.06 0.00 -0.13 0.00 0.00 55.73 56.56 2nnl s ARG 122 Cb 0.09 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2nnl s ARG 122 CO 0.78 -0.12 0.03 -1.17 -0.81 0.00 0.00 175.30 174.01 2nnl s LEU 123 N 0.93 3.48 -0.26 -0.88 0.20 -0.69 -2.33 118.68 119.13 2nnl s LEU 123 Ca -0.05 -0.10 -0.03 0.00 0.69 0.00 0.00 54.13 54.64 2nnl s LEU 123 Cb -0.05 -1.89 0.02 0.00 -0.43 0.00 0.00 46.19 43.84 2nnl s LEU 123 CO -0.08 0.09 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.35 2nnl s VAL 124 N 0.88 3.22 -0.21 1.68 1.01 0.19 -1.47 120.40 125.69 2nnl s VAL 124 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2nnl s VAL 124 Cb -0.14 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2nnl s VAL 124 CO 0.02 0.18 0.13 0.12 0.00 0.00 0.00 175.10 175.56 2nnl s PHE 125 N 1.39 3.37 -0.50 5.22 5.36 -0.18 -1.35 117.98 131.29 2nnl s PHE 125 Ca 0.01 0.28 -0.24 0.00 -0.96 0.00 0.00 56.93 56.01 2nnl s PHE 125 Cb -0.17 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.36 2nnl s PHE 125 CO -0.02 0.21 0.91 0.99 -1.46 0.00 0.00 175.22 175.85 2nnl s THR 126 N 0.56 4.46 0.00 0.12 2.01 -0.83 -1.01 115.64 120.95 2nnl s THR 126 Ca 0.07 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2nnl s THR 126 Cb -0.12 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 67.93 2nnl s THR 126 CO -0.00 -0.95 0.00 -0.24 -0.69 0.00 0.00 174.62 172.74 2nnl n SER 127 N 7.23 0.00 -3.69 3.53 2.88 0.16 -4.89 113.62 118.83 2nnl n SER 127 Ca 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 2nnl n SER 127 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.43 0.66 -3.46 0.15 -1.26 -4.34 113.70 104.02 2nnl s SER 128 Ca 0.00 0.65 0.37 0.00 0.70 0.00 0.00 55.95 57.67 2nnl s SER 128 Cb 0.00 0.70 2.04 0.00 -1.71 0.00 0.00 66.02 67.05 2nnl s SER 128 CO 0.00 -0.33 2.16 0.00 1.20 0.00 0.00 173.24 176.27 2nnl h ALA 129 N 4.50 1.20 0.00 5.45 0.00 -1.52 -0.64 119.26 128.26 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2nnl h ALA 129 CO 0.30 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2nnl n GLY 130 N -1.16 -1.15 0.05 0.00 0.00 -1.26 -0.85 105.19 100.82 2nnl n GLY 130 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.86 0.00 -0.07 2.61 -2.24 -0.25 -4.42 114.28 108.06 2nnl n THR 131 Ca 0.03 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2nnl n THR 131 Cb 0.20 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.28 1.27 -1.40 2.28 0.31 -0.03 -0.10 118.33 119.37 2nnl n VAL 132 Ca 0.09 0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 2nnl n VAL 132 Cb 0.32 -1.97 0.20 0.00 -0.91 0.00 0.00 33.84 31.48 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 -4.04 2.31 -4.44 4.52 6.94 -1.08 -3.10 115.26 116.36 2nnl n ASN 133 Ca -0.22 -3.64 -0.44 0.00 -0.02 0.00 0.00 54.58 50.26 2nnl n ASN 133 Cb 0.54 -0.55 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 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 -3.14 4.96 0.15 1.53 -1.09 -1.26 -4.93 121.20 117.41 2nnl s ILE 134 Ca 0.40 -2.03 -0.10 0.00 -2.23 0.00 0.00 60.65 56.69 2nnl s ILE 134 Cb 0.37 -4.77 -0.00 0.00 -1.58 0.00 0.00 42.46 36.47 2nnl s ILE 134 CO -0.01 -1.47 0.28 0.00 -1.23 0.00 0.00 174.94 172.51 2nnl s GLN 135 N 1.95 1.10 0.13 2.79 0.00 -1.26 -0.25 119.66 124.12 2nnl s GLN 135 Ca 0.34 -1.10 -0.17 0.00 -0.00 0.00 0.00 55.36 54.43 2nnl s GLN 135 Cb -0.05 0.38 -0.02 0.00 0.00 0.00 0.00 33.01 33.32 2nnl s GLN 135 CO -0.07 -0.40 1.70 1.49 0.00 0.00 0.00 175.29 178.01 2nnl h GLU 136 N 2.56 0.51 -5.17 9.60 4.81 -1.96 -3.40 114.58 121.53 2nnl h GLU 136 Ca -0.32 -0.08 -0.61 0.00 -0.13 0.00 0.00 59.36 58.22 2nnl h GLU 136 Cb 1.22 -0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.38 2nnl h GLU 136 CO 0.49 0.46 -0.47 -1.58 -0.73 0.00 0.00 179.01 177.19 2nnl s HIS 137 N -5.69 3.35 -0.22 0.92 2.46 -1.26 -5.07 115.29 109.78 2nnl s HIS 137 Ca -0.13 0.29 -0.21 0.00 0.47 0.00 0.00 55.06 55.48 2nnl s HIS 137 Cb 0.10 -2.27 -0.02 0.00 -0.13 0.00 0.00 32.58 30.26 2nnl s HIS 137 CO 0.73 0.12 0.64 -0.65 -2.47 0.00 0.00 174.74 173.11 2nnl s GLN 138 N 0.89 4.18 0.71 2.88 -1.52 -1.26 -5.07 119.66 120.47 2nnl s GLN 138 Ca 0.09 0.61 -0.13 0.00 -1.95 0.00 0.00 55.36 53.98 2nnl s GLN 138 Cb -0.13 -3.60 0.03 0.00 -0.22 0.00 0.00 33.01 29.09 2nnl s GLN 138 CO 0.03 -0.30 1.11 -0.51 -0.25 0.00 0.00 175.29 175.37 2nnl s LEU 139 N 2.12 3.24 0.34 2.90 1.43 -1.26 -4.97 118.68 122.48 2nnl s LEU 139 Ca 0.28 1.95 0.14 0.00 -1.03 0.00 0.00 54.13 55.48 2nnl s LEU 139 Cb -0.16 -4.54 0.60 0.00 0.03 0.00 0.00 46.19 42.12 2nnl s LEU 139 CO 0.10 -1.84 1.73 -0.65 0.23 0.00 0.00 176.35 175.91 2nnl h PRO 140 N -0.46 0.00 -3.51 1.29 0.11 -1.93 -3.44 132.00 124.06 2nnl h PRO 140 Ca -0.45 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 2nnl h PRO 140 Cb 1.24 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.03 2nnl h PRO 140 CO 0.53 0.46 -0.70 0.08 -0.21 0.00 0.00 178.00 178.16 2nnl s VAL 141 N -3.82 -0.04 0.01 3.15 1.01 -1.26 -1.21 120.40 118.23 2nnl s VAL 141 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2nnl s VAL 141 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 2nnl s VAL 141 CO 0.72 0.06 -0.00 -0.31 0.00 0.00 0.00 175.10 175.58 2nnl s TYR 142 N 0.81 3.06 0.06 5.22 2.02 0.57 -4.96 117.35 124.14 2nnl s TYR 142 Ca -0.07 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 2nnl s TYR 142 Cb -0.09 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 2nnl s TYR 142 CO -0.03 0.46 0.03 -0.40 -1.57 0.00 0.00 175.55 174.04 2nnl n ASP 143 N 1.34 0.85 0.07 2.29 5.68 -1.26 -0.76 116.55 124.75 2nnl n ASP 143 Ca -0.14 -1.35 0.09 0.00 -0.50 0.00 0.00 54.79 52.89 2nnl n ASP 143 Cb 0.53 0.18 0.40 0.00 -1.14 0.00 0.00 41.12 41.08 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 -0.14 0.10 0.10 0.11 4.71 -1.26 -2.12 120.64 122.14 2nnl n GLU 144 Ca -0.01 0.35 0.13 0.00 -0.01 0.00 0.00 57.16 57.62 2nnl n GLU 144 Cb 0.10 -1.69 0.34 0.00 -1.01 0.00 0.00 31.44 29.18 2nnl n GLU 144 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2nnl h SER 145 N 0.00 0.00 -3.38 1.62 4.64 -1.98 -3.46 113.55 110.99 2nnl h SER 145 Ca 0.00 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.73 2nnl h SER 145 Cb 0.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 2nnl h SER 145 CO 0.00 0.02 0.09 0.00 -0.87 0.00 0.00 176.83 176.07 2nnl s TRP 147 N -0.07 2.09 0.64 0.00 0.52 -1.25 -4.49 118.94 116.37 2nnl s TRP 147 Ca 0.35 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.93 2nnl s TRP 147 Cb -0.19 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 2nnl s TRP 147 CO 0.20 0.43 1.07 -1.12 0.02 0.00 0.00 176.95 177.55 2nnl s SER 148 N -2.66 5.48 -0.52 2.95 0.01 0.85 -4.74 113.70 115.07 2nnl s SER 148 Ca 0.18 1.83 -0.20 0.00 1.31 0.00 0.00 55.95 59.07 2nnl s SER 148 Cb -0.07 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.69 2nnl s SER 148 CO 0.08 -1.37 0.66 -0.62 0.41 0.00 0.00 173.24 172.41 2nnl s ASP 149 N -2.94 6.23 0.16 2.44 2.15 0.65 -4.96 116.67 120.40 2nnl s ASP 149 Ca 0.63 -0.92 -0.11 0.00 0.43 0.00 0.00 52.55 52.58 2nnl s ASP 149 Cb -0.17 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2nnl s ASP 149 CO 0.42 -0.95 1.62 0.24 -0.17 0.00 0.00 175.17 176.34 2nnl h MET 150 N 9.05 0.95 -0.42 4.34 2.86 -1.95 -1.43 114.93 128.33 2nnl h MET 150 Ca -0.28 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.10 2nnl h MET 150 Cb 1.09 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 2nnl h MET 150 CO 0.99 0.95 0.23 0.93 1.06 0.00 0.00 176.91 181.07 2nnl h GLU 151 N 0.83 0.44 -0.72 1.72 3.07 -1.97 -0.37 114.58 117.59 2nnl h GLU 151 Ca 0.16 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 2nnl h GLU 151 Cb 0.51 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2nnl h GLU 151 CO 0.02 0.29 0.20 0.35 -1.40 0.00 0.00 179.01 178.48 2nnl h PHE 152 N 0.46 1.18 -0.20 4.33 3.57 -1.90 -2.54 116.94 121.84 2nnl h PHE 152 Ca 0.17 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2nnl h PHE 152 Cb 0.05 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2nnl h PHE 152 CO -0.09 0.94 0.05 0.00 -2.23 0.00 0.00 178.31 176.99 2nnl h ARG 154 N 0.14 0.00 0.03 0.00 3.08 -1.07 -2.53 114.38 114.03 2nnl h ARG 154 Ca 0.06 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2nnl h ARG 154 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2nnl h ARG 154 CO 0.00 0.41 -0.60 0.00 -1.07 0.00 0.00 179.97 178.71 2nnl h ALA 155 N 1.59 0.09 -0.53 0.04 0.00 -1.28 -3.36 119.26 115.81 2nnl h ALA 155 Ca -0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 2nnl h ALA 155 Cb 0.74 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2nnl h ALA 155 CO 0.05 0.33 0.07 -0.22 0.00 0.00 0.00 179.25 179.49 2nnl h LYS 156 N -0.86 0.84 -6.40 0.00 1.63 -1.04 -3.47 116.57 107.26 2nnl h LYS 156 Ca -0.15 -0.20 -0.48 0.00 -0.85 0.00 0.00 60.65 58.98 2nnl h LYS 156 Cb 1.24 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 2nnl h LYS 156 CO -0.04 0.79 -0.88 1.63 -3.45 0.00 0.00 179.45 177.50 2nnl n LYS 157 N -4.24 -3.34 -0.94 1.90 5.02 -0.95 -4.99 118.16 110.61 2nnl n LYS 157 Ca 0.03 0.44 -0.29 0.00 -2.02 0.00 0.00 58.31 56.48 2nnl n LYS 157 Cb 0.26 -4.58 0.22 0.00 -0.02 0.00 0.00 35.03 30.91 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 -6.41 -0.45 0.04 1.97 0.23 -1.26 -4.85 119.30 108.56 2nnl s MET 158 Ca 0.05 0.47 -0.36 0.00 -1.03 0.00 0.00 55.69 54.82 2nnl s MET 158 Cb -0.02 -1.64 -0.15 0.00 -1.53 0.00 0.00 34.83 31.50 2nnl s MET 158 CO 0.87 -3.31 1.56 2.41 -2.03 0.00 0.00 175.02 174.52 2nnl n THR 159 N -4.58 0.13 -1.01 3.16 -1.04 -1.26 -1.66 114.28 108.03 2nnl n THR 159 Ca 0.06 -0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2nnl n THR 159 Cb 0.57 -1.29 -0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 3.86 -0.01 -0.24 2.41 0.00 -1.26 -4.94 120.51 120.34 2nnl n ALA 160 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.68 2nnl n ALA 160 Cb 0.23 -0.24 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 0.36 -0.48 0.00 5.08 -1.65 -0.16 115.95 119.11 2nnl h TRP 161 Ca -0.01 0.04 -0.06 0.00 1.08 0.00 0.00 58.89 59.94 2nnl h TRP 161 Cb 0.11 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 26.20 2nnl h TRP 161 CO 0.07 -0.01 0.04 0.00 -1.28 0.00 0.00 178.44 177.26 2nnl h MET 162 N 0.34 0.77 -0.14 0.12 -0.00 -1.90 -0.15 114.93 113.98 2nnl h MET 162 Ca 0.39 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 59.88 2nnl h MET 162 Cb 0.61 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2nnl h MET 162 CO -0.43 0.76 0.01 -0.92 -0.00 0.00 0.00 176.91 176.32 2nnl h TYR 163 N 0.73 0.25 -0.69 -0.10 3.20 -1.63 -1.20 116.97 117.54 2nnl h TYR 163 Ca 0.15 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.05 2nnl h TYR 163 Cb 0.39 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 2nnl h TYR 163 CO 0.02 0.45 0.38 0.74 -1.64 0.00 0.00 178.16 178.11 2nnl h PHE 164 N -0.02 0.69 -0.14 -3.82 0.04 -0.59 -1.22 116.94 111.87 2nnl h PHE 164 Ca 0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2nnl h PHE 164 Cb 0.35 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2nnl h PHE 164 CO 0.03 0.31 0.07 0.28 -0.60 0.00 0.00 178.31 178.40 2nnl h VAL 165 N 0.68 1.13 -0.72 -0.55 2.07 -0.98 -1.49 116.25 116.40 2nnl h VAL 165 Ca 0.32 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2nnl h VAL 165 Cb 0.23 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2nnl h VAL 165 CO -0.20 0.12 0.34 0.77 0.02 0.00 0.00 177.57 178.62 2nnl h SER 166 N 0.10 0.94 -0.42 0.57 4.64 -0.87 -0.89 113.55 117.62 2nnl h SER 166 Ca 0.05 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 2nnl h SER 166 Cb 0.13 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2nnl h SER 166 CO -0.01 0.82 0.02 0.11 -0.87 0.00 0.00 176.83 176.90 2nnl h LYS 167 N 1.00 0.73 -0.06 4.77 1.79 -1.18 -0.42 116.57 123.20 2nnl h LYS 167 Ca 0.24 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2nnl h LYS 167 Cb 0.13 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2nnl h LYS 167 CO -0.03 0.80 0.02 1.15 -1.08 0.00 0.00 179.45 180.31 2nnl h THR 168 N 0.57 1.13 -0.54 -0.16 2.02 -0.99 -1.59 112.91 113.35 2nnl h THR 168 Ca 0.12 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2nnl h THR 168 Cb 0.46 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2nnl h THR 168 CO 0.02 0.11 0.05 -0.07 0.37 0.00 0.00 175.52 176.00 2nnl h LEU 169 N -0.06 0.83 -0.33 2.58 3.38 -1.16 -1.98 115.31 118.58 2nnl h LEU 169 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2nnl h LEU 169 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2nnl h LEU 169 CO -0.00 0.87 0.09 0.00 0.09 0.00 0.00 178.44 179.48 2nnl h ALA 170 N 1.23 0.43 -0.47 1.53 0.00 -0.96 -2.04 119.26 118.98 2nnl h ALA 170 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2nnl h ALA 170 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2nnl h ALA 170 CO 0.01 0.09 0.04 1.49 0.00 0.00 0.00 179.25 180.88 2nnl h GLU 171 N 0.38 0.80 -0.51 0.00 4.81 -1.16 -0.47 114.58 118.43 2nnl h GLU 171 Ca 0.10 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2nnl h GLU 171 Cb 0.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2nnl h GLU 171 CO -0.00 0.83 0.23 1.96 -0.73 0.00 0.00 179.01 181.30 2nnl h GLN 172 N 0.66 0.74 -0.74 1.92 4.20 -1.38 -1.64 115.11 118.87 2nnl h GLN 172 Ca 0.14 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2nnl h GLN 172 Cb 0.45 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 2nnl h GLN 172 CO 0.02 0.63 0.38 0.00 -0.67 0.00 0.00 178.83 179.19 2nnl h ALA 173 N 1.07 1.28 -0.35 3.87 0.00 -1.25 -2.51 119.26 121.38 2nnl h ALA 173 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2nnl h ALA 173 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2nnl h ALA 173 CO -0.02 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.84 2nnl h ALA 174 N 1.38 0.47 -0.83 0.00 0.00 -0.77 -1.88 119.26 117.63 2nnl h ALA 174 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nnl h ALA 174 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2nnl h ALA 174 CO -0.04 0.19 0.50 -1.49 0.00 0.00 0.00 179.25 178.42 2nnl h TRP 175 N 0.42 1.08 0.16 0.00 -0.00 -1.20 0.80 115.95 117.21 2nnl h TRP 175 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.99 2nnl h TRP 175 Cb 0.39 -0.36 0.00 0.00 -0.00 0.00 0.00 29.16 29.20 2nnl h TRP 175 CO 0.03 0.72 -0.08 -0.22 -0.00 0.00 0.00 178.44 178.89 2nnl h LYS 176 N 1.14 -0.21 -0.71 0.49 3.64 -1.31 -0.56 116.57 119.05 2nnl h LYS 176 Ca 0.30 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2nnl h LYS 176 Cb -0.06 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2nnl h LYS 176 CO -0.06 -0.08 0.44 -0.92 -2.27 0.00 0.00 179.45 176.57 2nnl h TYR 177 N -0.29 0.82 -0.27 1.91 5.03 -1.09 -2.04 116.97 121.03 2nnl h TYR 177 Ca -0.02 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 2nnl h TYR 177 Cb 0.23 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 2nnl h TYR 177 CO -0.04 0.47 0.08 0.00 -1.32 0.00 0.00 178.16 177.35 2nnl h ALA 178 N 1.31 0.36 -0.65 1.82 0.00 -0.72 -1.88 119.26 119.50 2nnl h ALA 178 Ca 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2nnl h ALA 178 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2nnl h ALA 178 CO -0.11 -0.01 0.14 1.57 0.00 0.00 0.00 179.25 180.84 2nnl h LYS 179 N 0.28 1.03 0.00 0.00 -0.00 -0.96 -1.50 116.57 115.42 2nnl h LYS 179 Ca 0.09 -0.25 -0.03 0.00 -0.00 0.00 0.00 60.65 60.46 2nnl h LYS 179 Cb 0.25 -0.14 -0.00 0.00 -0.00 0.00 0.00 32.23 32.33 2nnl h LYS 179 CO -0.00 0.93 -0.13 0.93 -0.00 0.00 0.00 179.45 181.17 2nnl h GLU 180 N 0.98 0.00 -0.03 0.07 5.08 -1.27 -3.30 114.58 116.11 2nnl h GLU 180 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2nnl h GLU 180 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2nnl h GLU 180 CO 0.00 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 2nnl n ASN 181 N -3.17 2.27 -3.90 1.42 3.02 -0.71 -5.02 115.26 109.17 2nnl n ASN 181 Ca 0.02 -2.47 -0.28 0.00 -0.03 0.00 0.00 54.58 51.82 2nnl n ASN 181 Cb 0.50 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.81 -1.84 -4.68 6.41 5.03 -0.61 -4.97 115.26 113.79 2nnl n ASN 182 Ca 0.08 -1.03 -0.35 0.00 0.87 0.00 0.00 54.58 54.15 2nnl n ASN 182 Cb 0.44 -3.03 -0.09 0.00 -1.02 0.00 0.00 39.78 36.08 2nnl n ASN 182 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2nnl s ILE 183 N -3.81 4.98 -0.59 2.41 1.01 -0.97 -5.04 121.20 119.19 2nnl s ILE 183 Ca 0.16 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.57 2nnl s ILE 183 Cb -0.06 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2nnl s ILE 183 CO 0.89 0.47 1.58 -0.62 0.00 0.00 0.00 174.94 177.26 2nnl s ASP 184 N 0.20 5.81 -0.05 3.58 -1.08 -1.26 -4.80 116.67 119.07 2nnl s ASP 184 Ca 0.06 0.27 0.02 0.00 -0.52 0.00 0.00 52.55 52.38 2nnl s ASP 184 Cb -0.12 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.81 2nnl s ASP 184 CO -0.00 -1.96 -0.10 0.12 0.52 0.00 0.00 175.17 173.74 2nnl s PHE 185 N 7.13 1.20 0.02 -5.34 5.36 -1.26 -1.71 117.98 123.38 2nnl s PHE 185 Ca 0.57 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 56.21 2nnl s PHE 185 Cb -0.12 -0.89 -0.02 0.00 -0.34 0.00 0.00 43.02 41.65 2nnl s PHE 185 CO 0.23 -0.20 -0.16 0.42 -1.46 0.00 0.00 175.22 174.04 2nnl s ILE 186 N 0.53 1.29 0.09 3.12 -1.09 -0.55 -4.21 121.20 120.39 2nnl s ILE 186 Ca -0.10 -0.89 0.10 0.00 -2.23 0.00 0.00 60.65 57.53 2nnl s ILE 186 Cb -0.13 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.60 2nnl s ILE 186 CO 0.02 0.21 -0.25 0.42 -1.23 0.00 0.00 174.94 174.11 2nnl s THR 187 N -0.61 2.06 -0.10 2.92 -4.23 -1.05 -1.01 115.64 113.62 2nnl s THR 187 Ca 0.05 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 2nnl s THR 187 Cb -0.07 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 2nnl s THR 187 CO 0.01 0.16 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.39 2nnl s ILE 188 N -0.97 2.26 -0.51 2.99 1.01 -0.18 -1.29 121.20 124.51 2nnl s ILE 188 Ca 0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2nnl s ILE 188 Cb -0.10 -1.87 0.13 0.00 0.01 0.00 0.00 42.46 40.64 2nnl s ILE 188 CO 0.04 0.56 0.33 -0.63 0.00 0.00 0.00 174.94 175.24 2nnl s ILE 189 N 0.22 3.68 0.45 2.92 1.01 0.21 0.36 121.20 130.05 2nnl s ILE 189 Ca -0.14 -2.34 -0.12 0.00 0.00 0.00 0.00 60.65 58.06 2nnl s ILE 189 Cb -0.17 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 2nnl s ILE 189 CO 0.07 -0.78 0.84 -2.16 0.00 0.00 0.00 174.94 172.91 2nnl s PRO 190 N 0.73 3.80 0.00 2.79 0.05 -1.26 -0.74 135.00 140.37 2nnl s PRO 190 Ca 0.11 0.59 0.00 0.00 0.05 0.00 0.00 61.00 61.75 2nnl s PRO 190 Cb -0.22 -2.31 0.00 0.00 0.05 0.00 0.00 34.50 32.02 2nnl s PRO 190 CO -0.03 -0.14 0.00 0.25 0.05 0.00 0.00 177.00 177.13 2nnl n THR 191 N -1.51 0.00 -2.61 1.26 -2.24 -1.19 -1.39 114.28 106.60 2nnl n THR 191 Ca 0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 2nnl n THR 191 Cb 0.54 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 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 4.04 -0.22 3.22 2.96 -0.55 -4.78 118.68 123.35 2nnl s LEU 192 Ca 0.00 1.31 -0.19 0.00 -0.22 0.00 0.00 54.13 55.03 2nnl s LEU 192 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 2nnl s LEU 192 CO 0.00 -0.77 0.54 -0.69 -1.32 0.00 0.00 176.35 174.11 2nnl s VAL 193 N 3.45 5.07 0.01 1.68 1.01 -1.26 -0.83 120.40 129.53 2nnl s VAL 193 Ca 0.46 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.45 2nnl s VAL 193 Cb -0.15 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2nnl s VAL 193 CO 0.11 0.13 -0.10 -0.69 0.00 0.00 0.00 175.10 174.55 2nnl s VAL 194 N 1.95 0.77 -5.00 2.92 1.01 -0.68 -4.61 120.40 116.75 2nnl s VAL 194 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2nnl s VAL 194 Cb -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2nnl s VAL 194 CO 0.09 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2nnl n GLY 195 N 2.45 -2.03 3.72 4.51 0.00 -1.20 -1.59 105.19 111.05 2nnl n GLY 195 Ca -0.16 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.86 1.06 0.22 1.61 0.04 -1.25 -3.78 135.00 131.04 2nnl s PRO 196 Ca 0.00 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 2nnl s PRO 196 Cb 0.00 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2nnl s PRO 196 CO 0.00 -2.33 0.57 -0.59 0.04 0.00 0.00 177.00 174.68 2nnl s PHE 197 N -3.00 -0.06 -0.25 0.56 -0.71 -1.26 -4.91 117.98 108.34 2nnl s PHE 197 Ca 0.64 -0.31 0.11 0.00 -1.04 0.00 0.00 56.93 56.33 2nnl s PHE 197 Cb -0.17 0.44 -0.15 0.00 -1.21 0.00 0.00 43.02 41.92 2nnl s PHE 197 CO 0.57 -1.01 0.35 0.44 -1.34 0.00 0.00 175.22 174.23 2nnl n ILE 198 N -0.38 0.00 -1.28 -4.49 -5.35 -1.26 -5.02 119.36 101.58 2nnl n ILE 198 Ca -0.07 -0.25 -0.30 0.00 -0.27 0.00 0.00 62.75 61.86 2nnl n ILE 198 Cb 0.62 0.59 0.11 0.00 -1.74 0.00 0.00 39.64 39.22 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 -2.45 1.73 0.00 6.28 0.23 -1.26 -4.86 119.30 118.97 2nnl s MET 199 Ca -0.00 0.91 0.22 0.00 -1.03 0.00 0.00 55.69 55.78 2nnl s MET 199 Cb 0.08 -1.86 -0.06 0.00 -1.53 0.00 0.00 34.83 31.46 2nnl s MET 199 CO 0.47 -1.94 0.99 -1.13 -2.03 0.00 0.00 175.02 171.38 2nnl n SER 200 N -3.69 0.81 -4.79 -1.18 3.41 -1.26 -4.96 113.62 101.96 2nnl n SER 200 Ca 0.08 -0.72 -0.25 0.00 -0.26 0.00 0.00 58.87 57.72 2nnl n SER 200 Cb 0.55 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.33 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 -3.17 4.53 -0.09 4.04 1.04 -1.26 -5.02 113.70 113.77 2nnl s SER 201 Ca 0.07 -1.10 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 2nnl s SER 201 Cb 0.16 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2nnl s SER 201 CO 0.83 -0.69 1.52 -0.32 0.98 0.00 0.00 173.24 175.56 2nnl s MET 202 N -4.01 4.20 0.19 4.02 1.75 -1.26 -4.97 119.30 119.22 2nnl s MET 202 Ca 0.38 2.01 -0.31 0.00 -1.25 0.00 0.00 55.69 56.52 2nnl s MET 202 Cb 0.02 -3.90 -0.10 0.00 2.84 0.00 0.00 34.83 33.68 2nnl s MET 202 CO 0.22 -0.79 1.53 -2.14 -0.65 0.00 0.00 175.02 173.18 2nnl s PRO 203 N 3.82 4.23 0.26 4.11 0.02 -1.26 -4.93 135.00 141.25 2nnl s PRO 203 Ca 0.67 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 64.02 2nnl s PRO 203 Cb -0.29 -3.14 0.57 0.00 0.02 0.00 0.00 34.50 31.66 2nnl s PRO 203 CO 0.25 -0.55 1.68 -1.35 -0.33 0.00 0.00 177.00 176.69 2nnl h PRO 204 N 6.26 0.29 -0.04 5.54 0.11 -1.99 -0.76 132.00 141.41 2nnl h PRO 204 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2nnl h PRO 204 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2nnl h PRO 204 CO 0.87 0.19 -0.08 0.66 -0.21 0.00 0.00 178.00 179.43 2nnl h SER 205 N 0.29 0.05 1.71 -2.05 4.64 -1.91 -2.26 113.55 114.02 2nnl h SER 205 Ca 0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2nnl h SER 205 Cb 0.86 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2nnl h SER 205 CO -0.54 0.14 0.00 -0.07 -0.87 0.00 0.00 176.83 175.49 2nnl h LEU 206 N 0.05 0.00 -0.70 5.97 3.38 -1.39 0.24 115.31 122.86 2nnl h LEU 206 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2nnl h LEU 206 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2nnl h LEU 206 CO 0.01 0.00 0.41 0.40 0.09 0.00 0.00 178.44 179.35 2nnl h ILE 207 N 0.00 1.21 0.02 1.22 2.04 -1.28 -0.69 117.51 120.03 2nnl h ILE 207 Ca 0.00 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2nnl h ILE 207 Cb 0.85 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2nnl h ILE 207 CO 0.00 0.22 -0.01 0.74 0.00 0.00 0.00 178.15 179.10 2nnl h THR 208 N 0.96 1.41 -0.21 -0.27 2.02 -1.37 -3.13 112.91 112.33 2nnl h THR 208 Ca 0.25 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.96 2nnl h THR 208 Cb 0.00 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2nnl h THR 208 CO -0.04 0.36 -0.12 0.00 0.37 0.00 0.00 175.52 176.09 2nnl h ALA 209 N 0.29 1.42 -0.48 6.16 0.00 -0.53 -2.42 119.26 123.70 2nnl h ALA 209 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2nnl h ALA 209 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2nnl h ALA 209 CO 0.00 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2nnl n LEU 210 N -4.25 4.49 -0.33 0.00 4.77 -0.27 -4.52 117.00 116.89 2nnl n LEU 210 Ca -0.00 -2.65 0.05 0.00 -0.03 0.00 0.00 56.01 53.38 2nnl n LEU 210 Cb 0.28 -0.55 0.20 0.00 -2.33 0.00 0.00 43.42 41.03 2nnl n LEU 210 CO 0.39 0.73 1.19 0.77 -1.33 0.00 0.00 177.39 179.13 2nnl h SER 211 N 3.16 0.81 -0.24 -1.43 4.64 -1.37 0.36 113.55 119.47 2nnl h SER 211 Ca 0.00 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 2nnl h SER 211 Cb 1.47 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2nnl h SER 211 CO 0.25 0.45 0.26 -0.65 -0.87 0.00 0.00 176.83 176.27 2nnl h PRO 212 N 0.91 0.00 0.08 4.77 0.11 -1.81 1.12 132.00 137.18 2nnl h PRO 212 Ca 0.45 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.21 2nnl h PRO 212 Cb 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 2nnl h PRO 212 CO -0.25 0.00 -1.91 -0.89 -0.21 0.00 0.00 178.00 174.74 2nnl n ILE 213 N -3.81 1.70 0.83 4.15 5.41 0.00 -4.25 119.36 123.39 2nnl n ILE 213 Ca 0.03 -0.51 0.13 0.00 1.00 0.00 0.00 62.75 63.41 2nnl n ILE 213 Cb 0.40 -1.78 0.47 0.00 -0.71 0.00 0.00 39.64 38.02 2nnl n ILE 213 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2nnl n THR 214 N -3.69 0.23 -1.14 1.39 -2.24 -0.52 -4.69 114.28 103.62 2nnl n THR 214 Ca -0.34 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.27 2nnl n THR 214 Cb 0.96 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.42 0.74 3.47 3.38 0.00 0.38 -4.95 105.19 109.64 2nnl n GLY 215 Ca 0.06 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2nnl n GLY 215 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2nnl n ASN 216 N 0.72 3.93 0.10 1.61 2.85 -1.04 -4.81 115.26 118.63 2nnl n ASN 216 Ca -0.05 -2.81 0.14 0.00 -0.11 0.00 0.00 54.58 51.76 2nnl n ASN 216 Cb 0.19 -1.69 0.65 0.00 1.24 0.00 0.00 39.78 40.17 2nnl n ASN 216 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2nnl h GLU 217 N 8.30 0.05 -0.02 1.20 5.08 -1.92 -1.85 114.58 125.41 2nnl h GLU 217 Ca 0.37 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2nnl h GLU 217 Cb 0.86 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2nnl h GLU 217 CO 1.44 0.03 0.07 0.00 -1.00 0.00 0.00 179.01 179.56 2nnl h ALA 218 N 1.84 1.26 -0.01 3.43 0.00 -2.00 -1.61 119.26 122.17 2nnl h ALA 218 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2nnl h ALA 218 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2nnl h ALA 218 CO -0.01 -0.08 -0.43 0.72 0.00 0.00 0.00 179.25 179.45 2nnl n HIS 219 N -3.31 0.00 0.02 0.00 8.25 -0.70 -4.26 115.22 115.21 2nnl n HIS 219 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 2nnl n HIS 219 Cb 0.15 -0.06 0.51 0.00 1.12 0.00 0.00 29.99 31.71 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 1.66 0.35 0.00 4.41 0.05 -1.41 -2.65 116.97 119.37 2nnl h TYR 220 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2nnl h TYR 220 Cb 0.63 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 2nnl h TYR 220 CO 0.00 0.19 -0.06 0.66 -1.05 0.00 0.00 178.16 177.91 2nnl h SER 221 N 0.36 0.00 0.62 3.88 4.64 -1.77 0.23 113.55 121.50 2nnl h SER 221 Ca 0.18 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.22 2nnl h SER 221 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2nnl h SER 221 CO -0.04 0.06 -1.32 0.40 -0.87 0.00 0.00 176.83 175.06 2nnl h ILE 222 N 0.00 1.40 -0.02 0.95 2.04 -1.79 -3.34 117.51 116.75 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 0.13 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2nnl h ILE 222 CO 0.01 0.87 -0.21 2.30 0.00 0.00 0.00 178.15 181.11 2nnl n ILE 223 N -3.47 0.00 -0.01 -0.67 -5.35 -0.84 -4.36 119.36 104.66 2nnl n ILE 223 Ca -0.10 -0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 2nnl n ILE 223 Cb 1.02 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.92 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 2.85 -0.29 -3.38 6.28 2.43 -0.70 -2.83 114.38 118.73 2nnl h ARG 224 Ca 0.00 0.02 -0.65 0.00 -0.81 0.00 0.00 59.98 58.54 2nnl h ARG 224 Cb 0.73 0.07 -0.40 0.00 -0.42 0.00 0.00 29.97 29.95 2nnl h ARG 224 CO 0.00 -0.19 -0.59 -0.65 -1.51 0.00 0.00 179.97 177.03 2nnl s GLN 225 N -6.07 2.10 0.18 0.20 -0.21 -1.26 -1.39 119.66 113.20 2nnl s GLN 225 Ca -0.15 -2.67 -0.04 0.00 0.02 0.00 0.00 55.36 52.52 2nnl s GLN 225 Cb 0.11 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 2nnl s GLN 225 CO 0.67 -1.13 0.40 0.20 -2.12 0.00 0.00 175.29 173.31 2nnl s GLY 226 N -0.25 2.07 0.03 3.09 0.00 -0.68 -4.75 107.32 106.83 2nnl s GLY 226 Ca 0.18 -0.63 0.05 0.00 0.00 0.00 0.00 44.72 44.31 2nnl s GLY 226 CO -0.02 -0.56 -0.13 1.20 0.00 0.00 0.00 173.10 173.59 2nnl s GLN 227 N -2.94 0.92 0.04 2.90 1.11 -1.26 -1.67 119.66 118.76 2nnl s GLN 227 Ca 0.41 -0.70 0.02 0.00 0.01 0.00 0.00 55.36 55.09 2nnl s GLN 227 Cb -0.12 -0.91 -0.03 0.00 -1.01 0.00 0.00 33.01 30.95 2nnl s GLN 227 CO 0.26 0.23 -0.06 -0.06 0.01 0.00 0.00 175.29 175.67 2nnl s PHE 228 N -0.78 0.60 -0.02 0.91 0.40 0.04 -1.48 117.98 117.66 2nnl s PHE 228 Ca 0.02 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 2nnl s PHE 228 Cb -0.07 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.09 2nnl s PHE 228 CO 0.01 -0.13 0.09 0.54 0.70 0.00 0.00 175.22 176.43 2nnl s VAL 229 N -1.74 0.03 0.16 -0.44 0.11 -0.01 -1.95 120.40 116.56 2nnl s VAL 229 Ca -0.08 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.38 2nnl s VAL 229 Cb -0.08 -0.22 -0.08 0.00 -1.53 0.00 0.00 36.38 34.47 2nnl s VAL 229 CO -0.01 -0.16 1.25 -2.28 -3.33 0.00 0.00 175.10 170.58 2nnl s HIS 230 N -0.48 3.36 0.29 1.54 2.46 -1.26 -1.69 115.29 119.51 2nnl s HIS 230 Ca -0.06 1.29 0.01 0.00 0.47 0.00 0.00 55.06 56.78 2nnl s HIS 230 Cb -0.04 -3.51 0.71 0.00 -0.13 0.00 0.00 32.58 29.62 2nnl s HIS 230 CO 0.00 -1.55 1.60 1.25 -2.47 0.00 0.00 174.74 173.58 2nnl h LEU 231 N 5.67 -0.30 -0.30 8.88 5.85 -1.65 -1.07 115.31 132.39 2nnl h LEU 231 Ca -0.44 0.24 -0.20 0.00 0.84 0.00 0.00 57.88 58.32 2nnl h LEU 231 Cb 1.21 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2nnl h LEU 231 CO 0.78 -0.27 -0.72 -0.78 -0.34 0.00 0.00 178.44 177.10 2nnl h ASP 232 N 0.08 0.73 -0.40 1.25 3.58 -1.92 -1.08 116.42 118.66 2nnl h ASP 232 Ca 0.56 -0.46 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 2nnl h ASP 232 Cb 1.15 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2nnl h ASP 232 CO -0.80 1.23 0.23 0.44 -2.88 0.00 0.00 179.24 177.47 2nnl h ASP 233 N 0.43 0.49 -0.30 2.28 3.32 -1.78 -1.55 116.42 119.31 2nnl h ASP 233 Ca -0.03 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.97 2nnl h ASP 233 Cb 1.32 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2nnl h ASP 233 CO 0.14 0.41 0.15 0.25 -1.72 0.00 0.00 179.24 178.47 2nnl h LEU 234 N 0.52 0.22 -0.69 1.55 5.85 -1.11 -0.04 115.31 121.62 2nnl h LEU 234 Ca 0.14 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2nnl h LEU 234 Cb 0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2nnl h LEU 234 CO -0.03 0.17 -0.15 0.00 -0.34 0.00 0.00 178.44 178.09 2nnl h ASN 236 N 0.76 0.73 -0.76 0.00 -0.26 -1.17 -2.49 115.58 112.40 2nnl h ASN 236 Ca 0.12 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 2nnl h ASN 236 Cb 0.67 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 2nnl h ASN 236 CO 0.05 0.67 0.38 0.00 -1.06 0.00 0.00 177.43 177.46 2nnl h ALA 237 N 1.44 1.21 0.00 -0.83 0.00 -0.50 0.76 119.26 121.35 2nnl h ALA 237 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nnl h ALA 237 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2nnl h ALA 237 CO -0.02 0.61 -0.06 0.45 0.00 0.00 0.00 179.25 180.23 2nnl h HIS 238 N 1.09 -0.15 -0.25 0.00 3.86 -0.85 -1.11 115.15 117.74 2nnl h HIS 238 Ca 0.27 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2nnl h HIS 238 Cb 0.10 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2nnl h HIS 238 CO 0.01 -0.10 0.10 0.82 0.86 0.00 0.00 177.93 179.63 2nnl h ILE 239 N -0.11 1.17 -0.52 2.45 2.04 -1.31 -2.06 117.51 119.17 2nnl h ILE 239 Ca 0.02 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2nnl h ILE 239 Cb 0.14 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 2nnl h ILE 239 CO -0.06 0.17 0.08 0.22 0.00 0.00 0.00 178.15 178.56 2nnl h TYR 240 N 0.26 0.13 0.00 1.37 3.20 -0.77 -0.92 116.97 120.23 2nnl h TYR 240 Ca 0.08 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2nnl h TYR 240 Cb 0.17 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2nnl h TYR 240 CO -0.01 -0.04 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.01 2nnl h LEU 241 N 0.21 0.00 -0.25 2.82 3.38 -1.13 0.51 115.31 120.85 2nnl h LEU 241 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2nnl h LEU 241 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2nnl h LEU 241 CO -0.37 0.40 -0.40 0.15 0.09 0.00 0.00 178.44 178.31 2nnl h PHE 242 N 0.00 0.88 0.03 1.13 3.57 -0.86 -3.33 116.94 118.36 2nnl h PHE 242 Ca -0.00 -0.30 -0.23 0.00 3.53 0.00 0.00 57.97 60.97 2nnl h PHE 242 Cb 1.12 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2nnl h PHE 242 CO 0.00 1.08 -1.10 0.93 -2.23 0.00 0.00 178.31 176.99 2nnl h GLU 243 N 0.44 0.06 -6.47 1.11 5.08 -1.07 -3.45 114.58 110.28 2nnl h GLU 243 Ca 0.02 -0.10 -0.57 0.00 -1.00 0.00 0.00 59.36 57.72 2nnl h GLU 243 Cb 0.99 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2nnl h GLU 243 CO 0.09 1.02 1.04 1.21 -1.00 0.00 0.00 179.01 181.37 2nnl s ASN 244 N -6.76 6.44 0.54 1.42 3.84 0.16 -4.91 114.94 115.67 2nnl s ASN 244 Ca -0.00 0.97 0.32 0.00 0.21 0.00 0.00 52.86 54.35 2nnl s ASN 244 Cb 0.09 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.63 2nnl s ASN 244 CO 0.83 -1.32 2.00 -0.65 -2.79 0.00 0.00 177.10 175.17 2nnl h PRO 245 N 10.25 0.00 0.00 0.43 0.11 -1.88 -2.51 132.00 138.40 2nnl h PRO 245 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2nnl h PRO 245 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2nnl h PRO 245 CO 1.07 0.06 0.00 1.63 -0.21 0.00 0.00 178.00 180.55 2nnl n LYS 246 N -3.21 0.04 -2.22 1.05 4.01 -1.26 -4.87 118.16 111.70 2nnl n LYS 246 Ca -0.00 0.04 -0.42 0.00 -0.51 0.00 0.00 58.31 57.43 2nnl n LYS 246 Cb 0.30 -1.54 -0.03 0.00 -0.51 0.00 0.00 35.03 33.25 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 -3.02 3.53 -0.11 7.82 0.00 -0.95 -5.03 121.76 124.00 2nnl s ALA 247 Ca 0.13 1.10 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 2nnl s ALA 247 Cb 0.18 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.84 2nnl s ALA 247 CO 0.53 -0.55 0.37 -1.83 0.00 0.00 0.00 175.76 174.28 2nnl s GLU 248 N 0.23 0.51 3.01 0.00 4.04 -1.26 -5.03 118.70 120.20 2nnl s GLU 248 Ca 0.59 0.36 0.00 0.00 0.04 0.00 0.00 54.97 55.96 2nnl s GLU 248 Cb -0.36 0.24 0.00 0.00 0.02 0.00 0.00 34.13 34.03 2nnl s GLU 248 CO 0.36 -0.09 0.00 0.41 -1.84 0.00 0.00 175.26 174.10 2nnl n GLY 249 N 2.48 -0.32 3.88 -3.83 0.00 -1.26 -4.88 105.19 101.26 2nnl n GLY 249 Ca -0.15 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 3.78 -0.05 1.61 0.52 -1.26 -2.52 118.95 121.02 2nnl s ARG 250 Ca 0.00 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 2nnl s ARG 250 Cb 0.00 -2.65 0.03 0.00 0.52 0.00 0.00 34.95 32.85 2nnl s ARG 250 CO 0.00 0.30 0.03 0.71 0.02 0.00 0.00 175.30 176.37 2nnl s TYR 251 N -1.85 0.30 0.18 -0.53 1.51 -0.41 -4.94 117.35 111.60 2nnl s TYR 251 Ca 0.47 0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 56.31 2nnl s TYR 251 Cb -0.11 -0.59 -0.08 0.00 -0.11 0.00 0.00 41.96 41.07 2nnl s TYR 251 CO 0.22 -0.23 1.09 0.42 -1.11 0.00 0.00 175.55 175.94 2nnl s ILE 252 N 2.00 3.88 -0.35 2.71 1.01 -1.26 0.67 121.20 129.86 2nnl s ILE 252 Ca 0.04 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.33 2nnl s ILE 252 Cb -0.12 -4.05 0.11 0.00 0.01 0.00 0.00 42.46 38.41 2nnl s ILE 252 CO -0.04 0.29 0.12 0.00 0.00 0.00 0.00 174.94 175.31 2nnl s SER 254 N 1.20 -0.59 -0.05 0.00 0.15 -1.26 -3.17 113.70 109.98 2nnl s SER 254 Ca 0.12 1.01 0.08 0.00 0.70 0.00 0.00 55.95 57.86 2nnl s SER 254 Cb -0.19 0.92 -0.12 0.00 -1.71 0.00 0.00 66.02 64.91 2nnl s SER 254 CO -0.16 -0.20 0.11 -1.54 1.20 0.00 0.00 173.24 172.65 2nnl n SER 255 N 4.00 2.97 -3.97 5.45 3.41 -0.83 -4.43 113.62 120.22 2nnl n SER 255 Ca -0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 2nnl n SER 255 Cb 0.56 1.06 -0.11 0.00 -0.26 0.00 0.00 64.21 65.46 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 -2.41 0.24 -0.00 7.33 3.76 -0.97 -5.02 115.29 118.22 2nnl s HIS 256 Ca -0.04 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2nnl s HIS 256 Cb 0.04 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.55 2nnl s HIS 256 CO 0.35 -0.20 -0.01 0.16 -0.85 0.00 0.00 174.74 174.20 2nnl s ASP 257 N -1.47 0.12 0.08 1.40 -4.77 -1.26 -0.78 116.67 109.99 2nnl s ASP 257 Ca -0.16 -0.01 -0.26 0.00 -3.30 0.00 0.00 52.55 48.82 2nnl s ASP 257 Cb -0.10 -0.02 0.09 0.00 -1.09 0.00 0.00 42.92 41.80 2nnl s ASP 257 CO -0.01 -0.00 0.75 0.00 0.70 0.00 0.00 175.17 176.61 2nnl s ILE 259 N -3.42 4.75 0.46 0.00 -4.36 -1.26 -1.69 121.20 115.66 2nnl s ILE 259 Ca 0.03 0.75 0.25 0.00 -0.26 0.00 0.00 60.65 61.43 2nnl s ILE 259 Cb -0.01 -3.86 0.45 0.00 1.25 0.00 0.00 42.46 40.29 2nnl s ILE 259 CO -0.10 -1.06 1.79 -0.29 0.24 0.00 0.00 174.94 175.51 2nnl h ILE 260 N -0.15 0.49 -0.61 8.37 2.10 -1.11 -0.46 117.51 126.14 2nnl h ILE 260 Ca -0.45 -0.08 -0.03 0.00 1.08 0.00 0.00 64.86 65.38 2nnl h ILE 260 Cb 1.19 0.23 -0.03 0.00 -1.09 0.00 0.00 36.82 37.13 2nnl h ILE 260 CO 0.62 0.04 0.25 0.25 -1.08 0.00 0.00 178.15 178.23 2nnl h LEU 261 N 0.23 0.84 -0.40 2.19 5.85 -1.90 -0.01 115.31 122.11 2nnl h LEU 261 Ca 0.57 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.95 2nnl h LEU 261 Cb 1.77 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 2nnl h LEU 261 CO -0.18 0.78 -0.62 0.44 -0.34 0.00 0.00 178.44 178.51 2nnl h ASP 262 N 0.85 0.71 -0.07 1.25 3.32 -1.46 -2.32 116.42 118.69 2nnl h ASP 262 Ca 0.20 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2nnl h ASP 262 Cb 0.20 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2nnl h ASP 262 CO -0.02 1.15 0.02 0.25 -1.72 0.00 0.00 179.24 178.92 2nnl h LEU 263 N 0.46 0.11 -1.47 1.55 5.85 -1.29 -2.18 115.31 118.34 2nnl h LEU 263 Ca -0.01 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2nnl h LEU 263 Cb 1.19 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2nnl h LEU 263 CO 0.12 0.32 0.01 0.00 -0.34 0.00 0.00 178.44 178.55 2nnl h ALA 264 N 0.80 1.58 0.49 1.25 0.00 -1.03 -2.03 119.26 120.31 2nnl h ALA 264 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2nnl h ALA 264 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2nnl h ALA 264 CO 0.00 0.31 -0.23 -0.22 0.00 0.00 0.00 179.25 179.11 2nnl h LYS 265 N 0.35 -0.63 -0.91 0.00 3.64 -1.37 -1.54 116.57 116.12 2nnl h LYS 265 Ca 0.08 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.71 2nnl h LYS 265 Cb 0.22 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.06 2nnl h LYS 265 CO 0.00 -0.35 0.45 1.98 -2.27 0.00 0.00 179.45 179.25 2nnl h MET 266 N -0.80 0.48 -0.14 1.90 4.05 -1.04 -2.08 114.93 117.31 2nnl h MET 266 Ca -0.07 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.15 2nnl h MET 266 Cb 0.56 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.26 2nnl h MET 266 CO 0.11 0.32 -0.59 -0.07 0.23 0.00 0.00 176.91 176.91 2nnl h LEU 267 N 0.50 0.75 -0.83 3.39 3.38 -1.29 -2.00 115.31 119.21 2nnl h LEU 267 Ca 0.55 -0.62 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2nnl h LEU 267 Cb 0.98 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2nnl h LEU 267 CO -0.47 1.25 0.51 0.03 0.09 0.00 0.00 178.44 179.85 2nnl h ARG 268 N 0.30 0.91 -0.24 1.13 3.08 -0.79 0.78 114.38 119.54 2nnl h ARG 268 Ca -0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 2nnl h ARG 268 Cb 1.22 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2nnl h ARG 268 CO 0.12 0.60 -0.35 0.93 -1.07 0.00 0.00 179.97 180.20 2nnl h GLU 269 N 0.93 0.52 0.00 0.04 5.08 -1.36 -2.98 114.58 116.81 2nnl h GLU 269 Ca 0.36 -0.24 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 2nnl h GLU 269 Cb 0.16 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2nnl h GLU 269 CO -0.17 0.80 -1.36 0.87 -1.00 0.00 0.00 179.01 178.16 2nnl h LYS 270 N 0.44 0.00 -2.38 2.33 1.57 -0.99 -3.42 116.57 114.12 2nnl h LYS 270 Ca 0.05 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.24 2nnl h LYS 270 Cb 0.82 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.74 2nnl h LYS 270 CO 0.07 0.52 -0.90 0.66 -0.57 0.00 0.00 179.45 179.23 2nnl n TYR 271 N -3.07 0.43 0.28 -1.35 4.01 0.27 -4.95 117.16 112.77 2nnl n TYR 271 Ca -0.10 -3.64 0.16 0.00 -0.16 0.00 0.00 57.90 54.16 2nnl n TYR 271 Cb 0.93 -0.14 0.76 0.00 -0.31 0.00 0.00 39.34 40.59 2nnl n TYR 271 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2nnl h PRO 272 N 5.01 0.00 0.00 -0.72 0.11 -1.74 -2.91 132.00 131.75 2nnl h PRO 272 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2nnl h PRO 272 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2nnl h PRO 272 CO 0.50 0.08 0.00 1.05 -0.21 0.00 0.00 178.00 179.42 2nnl h GLU 273 N 0.00 0.00 -6.14 1.05 9.09 -1.92 -3.44 114.58 113.22 2nnl h GLU 273 Ca -0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 2nnl h GLU 273 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 2nnl h GLU 273 CO 0.01 0.00 -0.40 0.71 0.05 0.00 0.00 179.01 179.39 2nnl s TYR 274 N -3.47 3.48 -1.05 2.06 2.02 -1.10 -1.32 117.35 117.98 2nnl s TYR 274 Ca 0.03 0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.80 2nnl s TYR 274 Cb 0.09 -1.77 0.15 0.00 -0.40 0.00 0.00 41.96 40.03 2nnl s TYR 274 CO 0.46 0.44 1.26 -0.80 -1.57 0.00 0.00 175.55 175.35 2nnl s ASN 275 N -3.19 6.82 -0.29 2.29 0.02 -1.26 -4.96 114.94 114.37 2nnl s ASN 275 Ca 0.37 -2.45 -0.10 0.00 -1.02 0.00 0.00 52.86 49.65 2nnl s ASN 275 Cb -0.11 -2.40 -0.03 0.00 0.02 0.00 0.00 41.25 38.73 2nnl s ASN 275 CO 0.29 -0.93 0.17 -0.63 0.02 0.00 0.00 177.10 176.02 2nnl s ILE 276 N 2.21 4.97 0.78 0.60 1.01 -1.26 -4.80 121.20 124.71 2nnl s ILE 276 Ca 0.37 -0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 2nnl s ILE 276 Cb -0.04 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2nnl s ILE 276 CO -0.05 0.20 0.45 -2.65 0.00 0.00 0.00 174.94 172.88 2nnl n PRO 277 N 5.03 0.16 -0.01 2.79 -0.02 -1.26 -4.96 135.00 136.73 2nnl n PRO 277 Ca -0.14 0.10 0.07 0.00 -2.02 0.00 0.00 63.50 61.51 2nnl n PRO 277 Cb 0.51 -1.80 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 -2.63 0.00 -4.24 3.45 -2.24 -1.26 -4.86 114.28 102.50 2nnl n THR 278 Ca 0.09 -0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 2nnl n THR 278 Cb 0.51 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.93 0.59 -0.07 -0.78 8.01 -1.26 -5.07 118.70 117.20 2nnl s GLU 279 Ca -0.03 -0.35 0.03 0.00 0.01 0.00 0.00 54.97 54.62 2nnl s GLU 279 Cb 0.10 -0.55 0.01 0.00 -4.31 0.00 0.00 34.13 29.38 2nnl s GLU 279 CO 0.62 0.15 -0.16 -0.06 0.01 0.00 0.00 175.26 175.82 2nnl s PHE 280 N -0.37 1.77 0.18 1.61 0.40 -1.26 -5.11 117.98 115.19 2nnl s PHE 280 Ca 0.01 -0.65 -0.33 0.00 -0.60 0.00 0.00 56.93 55.36 2nnl s PHE 280 Cb -0.04 -1.24 -0.12 0.00 0.51 0.00 0.00 43.02 42.13 2nnl s PHE 280 CO -0.00 -0.29 1.70 0.36 0.70 0.00 0.00 175.22 177.69 2nnl n LYS 281 N 3.62 2.59 -0.99 0.44 0.00 -1.26 -2.23 118.16 120.33 2nnl n LYS 281 Ca -0.21 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 2nnl n LYS 281 Cb 0.52 -2.77 0.00 0.00 -0.00 0.00 0.00 35.03 32.78 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 3.86 0.44 2.91 2.58 0.00 -1.26 -5.04 105.19 108.68 2nnl n GLY 282 Ca 0.17 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 0.69 0.20 1.61 1.01 -0.95 -5.11 120.40 115.86 2nnl s VAL 283 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2nnl s VAL 283 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2nnl s VAL 283 CO 0.00 0.27 -0.14 -0.62 0.00 0.00 0.00 175.10 174.61 2nnl s ASP 284 N 1.04 2.57 0.66 3.32 3.68 -1.26 -4.64 116.67 122.03 2nnl s ASP 284 Ca -0.09 -1.02 0.36 0.00 2.13 0.00 0.00 52.55 53.94 2nnl s ASP 284 Cb -0.14 -0.13 1.99 0.00 -1.45 0.00 0.00 42.92 43.18 2nnl s ASP 284 CO -0.00 -0.17 2.14 1.05 0.13 0.00 0.00 175.17 178.31 2nnl h GLU 285 N 2.56 0.00 -0.00 4.34 9.09 -2.01 -1.55 114.58 127.01 2nnl h GLU 285 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.03 2nnl h GLU 285 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 2nnl h GLU 285 CO 0.62 0.00 -0.18 0.09 0.05 0.00 0.00 179.01 179.59 2nnl n ASN 286 N -3.09 0.35 -4.67 3.06 3.02 -1.26 -4.86 115.26 107.81 2nnl n ASN 286 Ca -0.02 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 53.93 2nnl n ASN 286 Cb 0.24 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 2nnl n ASN 286 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2nnl s LEU 287 N -2.76 4.42 0.27 3.41 2.96 -0.59 -4.93 118.68 121.46 2nnl s LEU 287 Ca 0.20 2.73 -0.30 0.00 -0.22 0.00 0.00 54.13 56.53 2nnl s LEU 287 Cb 0.19 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.22 2nnl s LEU 287 CO 0.55 -1.04 1.60 -0.75 -1.32 0.00 0.00 176.35 175.39 2nnl s LYS 288 N 3.68 4.14 0.27 1.98 2.20 -1.26 -4.94 119.74 125.81 2nnl s LYS 288 Ca 0.85 2.55 -0.29 0.00 -0.36 0.00 0.00 55.97 58.72 2nnl s LYS 288 Cb -0.45 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 2nnl s LYS 288 CO 0.39 -0.63 1.04 0.45 -0.36 0.00 0.00 175.35 176.24 2nnl s SER 289 N 0.63 7.37 -0.17 1.43 0.15 -1.26 -4.90 113.70 116.95 2nnl s SER 289 Ca 0.65 2.14 -0.03 0.00 0.70 0.00 0.00 55.95 59.40 2nnl s SER 289 Cb -0.47 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.20 2nnl s SER 289 CO 0.44 -0.05 -0.04 -0.69 1.20 0.00 0.00 173.24 174.09 2nnl s VAL 290 N -1.21 3.73 -0.05 4.45 1.01 -1.26 -4.88 120.40 122.19 2nnl s VAL 290 Ca 0.44 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2nnl s VAL 290 Cb -0.29 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2nnl s VAL 290 CO 0.37 0.48 0.01 0.00 0.00 0.00 0.00 175.10 175.95 2nnl s PHE 292 N -0.99 3.10 -0.25 0.00 0.40 -1.26 -0.32 117.98 118.67 2nnl s PHE 292 Ca 0.16 -0.31 -0.20 0.00 -0.60 0.00 0.00 56.93 55.99 2nnl s PHE 292 Cb -0.11 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 2nnl s PHE 292 CO 0.06 -0.18 0.59 0.45 0.70 0.00 0.00 175.22 176.84 2nnl s SER 293 N 1.05 6.54 -0.22 1.36 0.15 0.06 -4.77 113.70 117.88 2nnl s SER 293 Ca 0.03 0.66 0.08 0.00 0.70 0.00 0.00 55.95 57.42 2nnl s SER 293 Cb -0.14 -2.32 0.56 0.00 -1.71 0.00 0.00 66.02 62.41 2nnl s SER 293 CO 0.02 -0.33 1.49 -1.20 1.20 0.00 0.00 173.24 174.42 2nnl n SER 294 N 5.55 4.18 -0.27 5.45 7.64 -1.26 -4.65 113.62 130.26 2nnl n SER 294 Ca -0.02 -2.82 -0.06 0.00 1.01 0.00 0.00 58.87 56.97 2nnl n SER 294 Cb 0.49 -0.67 0.05 0.00 -1.01 0.00 0.00 64.21 63.08 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 2.24 1.11 -0.88 1.43 3.64 -1.92 -0.80 116.57 121.40 2nnl h LYS 295 Ca 0.14 -0.21 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2nnl h LYS 295 Cb 1.82 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 33.37 2nnl h LYS 295 CO 0.49 0.91 0.48 -0.22 -2.27 0.00 0.00 179.45 178.84 2nnl h LYS 296 N 1.06 0.67 -0.00 1.90 3.64 -1.92 0.21 116.57 122.14 2nnl h LYS 296 Ca 0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2nnl h LYS 296 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2nnl h LYS 296 CO -0.02 0.45 -0.00 1.25 -2.27 0.00 0.00 179.45 178.85 2nnl h LEU 297 N 0.69 0.01 -1.09 5.20 5.85 -1.46 -3.21 115.31 121.31 2nnl h LEU 297 Ca 0.47 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2nnl h LEU 297 Cb 0.62 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2nnl h LEU 297 CO -0.34 0.59 -0.05 0.71 -0.34 0.00 0.00 178.44 179.01 2nnl h THR 298 N -0.57 1.22 -0.33 1.05 1.35 -1.08 -2.19 112.91 112.37 2nnl h THR 298 Ca 0.00 -0.93 0.09 0.00 -0.55 0.00 0.00 66.41 65.02 2nnl h THR 298 Cb 0.59 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 2nnl h THR 298 CO 0.00 0.32 0.27 0.44 -0.25 0.00 0.00 175.52 176.30 2nnl h ASP 299 N 0.55 0.00 0.52 5.36 5.19 -0.63 -1.65 116.42 125.76 2nnl h ASP 299 Ca 0.11 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.37 2nnl h ASP 299 Cb 0.43 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2nnl h ASP 299 CO 0.02 0.00 -0.68 -0.07 -3.12 0.00 0.00 179.24 175.39 2nnl h LEU 300 N 0.00 0.17 0.00 1.55 3.38 -1.39 -3.47 115.31 115.54 2nnl h LEU 300 Ca 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2nnl h LEU 300 Cb 0.70 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2nnl h LEU 300 CO -0.00 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2nnl n GLY 301 N 0.43 -0.32 3.75 0.83 0.00 -0.62 -5.13 105.19 104.13 2nnl n GLY 301 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.67 3.50 -0.13 1.61 5.36 -1.22 -5.02 117.98 121.41 2nnl s PHE 302 Ca 0.00 1.61 0.03 0.00 -0.96 0.00 0.00 56.93 57.61 2nnl s PHE 302 Cb 0.00 -3.35 0.01 0.00 -0.34 0.00 0.00 43.02 39.34 2nnl s PHE 302 CO 0.00 -0.79 -0.22 -1.21 -1.46 0.00 0.00 175.22 171.53 2nnl s GLU 303 N -1.15 3.04 0.37 10.12 2.02 -1.26 -4.36 118.70 127.47 2nnl s GLU 303 Ca 0.47 -0.86 -0.26 0.00 0.02 0.00 0.00 54.97 54.34 2nnl s GLU 303 Cb -0.33 -2.40 -0.09 0.00 0.10 0.00 0.00 34.13 31.42 2nnl s GLU 303 CO 0.41 0.05 1.10 -0.06 0.02 0.00 0.00 175.26 176.78 2nnl s PHE 304 N 0.66 3.28 -0.07 1.61 0.08 -1.26 -4.97 117.98 117.30 2nnl s PHE 304 Ca -0.11 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.59 2nnl s PHE 304 Cb -0.16 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.01 2nnl s PHE 304 CO 0.02 -0.83 0.08 1.63 -0.10 0.00 0.00 175.22 176.02 2nnl n LYS 305 N 0.27 4.27 -4.48 0.44 4.76 -1.26 -5.07 118.16 117.10 2nnl n LYS 305 Ca 0.03 -0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.17 2nnl n LYS 305 Cb 0.47 -0.75 -0.13 0.00 -1.84 0.00 0.00 35.03 32.78 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 -1.52 2.38 0.41 2.13 1.51 -1.26 -5.14 117.35 115.86 2nnl s TYR 306 Ca 0.00 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2nnl s TYR 306 Cb 0.02 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2nnl s TYR 306 CO 0.09 0.31 0.58 -1.54 -1.11 0.00 0.00 175.55 173.88 2nnl s SER 307 N -1.90 5.78 0.33 2.29 1.04 -1.26 -4.89 113.70 115.08 2nnl s SER 307 Ca 0.15 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.47 2nnl s SER 307 Cb -0.10 -1.12 0.56 0.00 0.10 0.00 0.00 66.02 65.45 2nnl s SER 307 CO 0.06 -0.66 1.99 0.25 0.98 0.00 0.00 173.24 175.86 2nnl h LEU 308 N 0.61 0.82 -0.70 2.42 5.85 -1.98 -1.60 115.31 120.73 2nnl h LEU 308 Ca -0.44 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 2nnl h LEU 308 Cb 1.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2nnl h LEU 308 CO 0.52 0.59 0.01 -0.33 -0.34 0.00 0.00 178.44 178.89 2nnl h GLU 309 N 0.97 1.01 -0.12 1.25 3.07 -2.00 -2.75 114.58 116.00 2nnl h GLU 309 Ca 0.27 -0.30 0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2nnl h GLU 309 Cb -0.09 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 2nnl h GLU 309 CO -0.06 0.98 -0.04 -0.44 -1.40 0.00 0.00 179.01 178.06 2nnl h ASP 310 N 0.93 -0.13 -0.07 1.42 3.32 -1.70 -2.06 116.42 118.12 2nnl h ASP 310 Ca 0.17 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.30 2nnl h ASP 310 Cb 0.53 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 2nnl h ASP 310 CO 0.03 -0.05 -0.24 0.24 -1.72 0.00 0.00 179.24 177.50 2nnl h MET 311 N -0.01 -0.32 -0.07 3.56 2.86 -1.28 -1.76 114.93 117.91 2nnl h MET 311 Ca 0.06 0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 2nnl h MET 311 Cb 0.10 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2nnl h MET 311 CO -0.13 -0.21 -0.83 0.74 1.06 0.00 0.00 176.91 177.54 2nnl h PHE 312 N -0.33 0.72 -0.48 -0.22 -1.00 -1.45 -1.51 116.94 112.67 2nnl h PHE 312 Ca 0.08 -0.34 -0.09 0.00 2.81 0.00 0.00 57.97 60.42 2nnl h PHE 312 Cb 0.45 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 2nnl h PHE 312 CO -0.31 1.14 -0.07 0.00 -1.61 0.00 0.00 178.31 177.47 2nnl h THR 313 N 0.33 1.27 -0.59 -1.55 1.03 -1.39 -0.16 112.91 111.85 2nnl h THR 313 Ca -0.06 -1.17 0.06 0.00 -0.01 0.00 0.00 66.41 65.23 2nnl h THR 313 Cb 1.44 1.06 -0.05 0.00 -1.07 0.00 0.00 68.15 69.52 2nnl h THR 313 CO 0.15 0.41 0.30 1.23 -0.01 0.00 0.00 175.52 177.59 2nnl h GLY 314 N 0.74 0.84 0.71 2.99 0.00 -1.23 0.72 103.07 107.83 2nnl h GLY 314 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2nnl h GLY 314 CO 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 176.54 176.60 2nnl h ALA 315 N 1.33 0.17 -0.36 3.60 0.00 -1.05 -1.88 119.26 121.06 2nnl h ALA 315 Ca 0.27 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2nnl h ALA 315 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2nnl h ALA 315 CO -0.19 -0.02 -0.20 0.28 0.00 0.00 0.00 179.25 179.12 2nnl h VAL 316 N -0.10 1.29 -0.42 0.00 2.07 -0.93 -1.49 116.25 116.66 2nnl h VAL 316 Ca 0.02 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2nnl h VAL 316 Cb 0.57 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2nnl h VAL 316 CO 0.02 0.44 0.23 0.44 0.02 0.00 0.00 177.57 178.73 2nnl h ASP 317 N 0.56 0.52 -0.42 0.57 3.32 -0.86 -0.51 116.42 119.60 2nnl h ASP 317 Ca 0.08 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2nnl h ASP 317 Cb 0.75 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2nnl h ASP 317 CO 0.06 0.45 0.21 0.74 -1.72 0.00 0.00 179.24 178.97 2nnl h THR 318 N 0.54 1.17 -0.75 0.35 2.02 -1.34 -0.65 112.91 114.26 2nnl h THR 318 Ca 0.15 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2nnl h THR 318 Cb 0.04 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 2nnl h THR 318 CO -0.02 0.19 0.46 0.00 0.37 0.00 0.00 175.52 176.52 2nnl h ARG 320 N 0.89 -0.78 -0.91 0.00 3.08 -0.94 0.43 114.38 116.16 2nnl h ARG 320 Ca 0.31 0.05 0.25 0.00 0.07 0.00 0.00 59.98 60.67 2nnl h ARG 320 Cb 0.06 0.18 -0.14 0.00 0.08 0.00 0.00 29.97 30.14 2nnl h ARG 320 CO -0.13 -0.50 0.29 0.00 -1.07 0.00 0.00 179.97 178.57 2nnl h ALA 321 N -0.48 1.41 -0.09 0.04 0.00 -0.82 0.08 119.26 119.39 2nnl h ALA 321 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2nnl h ALA 321 Cb 0.64 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2nnl h ALA 321 CO 0.14 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.52 2nnl n LYS 322 N -5.20 1.66 -1.77 0.00 5.02 -0.43 -4.94 118.16 112.51 2nnl n LYS 322 Ca 0.24 -0.98 -0.11 0.00 -2.02 0.00 0.00 58.31 55.44 2nnl n LYS 322 Cb 0.75 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 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 1.14 0.54 0.05 0.72 0.00 0.01 -4.92 105.19 102.74 2nnl n GLY 323 Ca 0.18 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.38 0.54 -4.25 0.99 4.77 0.14 -4.83 117.00 112.99 2nnl n LEU 324 Ca -0.12 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.67 2nnl n LEU 324 Cb 0.48 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.35 2nnl n LEU 324 CO 0.15 -0.04 -0.54 -0.76 -1.33 0.00 0.00 177.39 174.88 2nnl s LEU 325 N -4.50 2.07 0.69 2.23 1.43 -1.09 -4.96 118.68 114.56 2nnl s LEU 325 Ca -0.00 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2nnl s LEU 325 Cb 0.13 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.24 2nnl s LEU 325 CO 0.83 0.26 1.20 -2.16 0.23 0.00 0.00 176.35 176.71 2nnl s PRO 326 N -0.65 2.38 0.54 1.29 0.04 -1.26 -4.41 135.00 132.93 2nnl s PRO 326 Ca 0.09 1.75 0.20 0.00 0.04 0.00 0.00 61.00 63.08 2nnl s PRO 326 Cb -0.09 -1.86 1.42 0.00 0.04 0.00 0.00 34.50 34.01 2nnl s PRO 326 CO -0.00 -1.65 2.17 -1.00 0.04 0.00 0.00 177.00 176.56 2nnl h PRO 327 N -0.00 0.00 -2.50 0.56 0.13 -1.99 -3.46 132.00 124.73 2nnl h PRO 327 Ca -0.48 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.79 2nnl h PRO 327 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 2nnl h PRO 327 CO 0.51 0.01 0.46 -1.54 -0.23 0.00 0.00 178.00 177.21 2nnl s SER 328 N -6.79 -0.13 0.00 1.44 1.04 -1.26 -4.94 113.70 103.06 2nnl s SER 328 Ca -0.05 -0.55 0.16 0.00 0.48 0.00 0.00 55.95 55.99 2nnl s SER 328 Cb 0.16 0.55 0.13 0.00 0.10 0.00 0.00 66.02 66.96 2nnl s SER 328 CO 0.63 -1.04 1.01 1.41 0.98 0.00 0.00 173.24 176.24