#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdr s ALA 9 N 0.00 0.55 0.00 0.62 0.00 -1.26 -4.76 121.76 116.91 1hdr s ALA 9 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1hdr s ALA 9 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1hdr s ALA 9 CO 0.00 -0.45 0.00 -2.13 0.00 0.00 0.00 175.76 173.18 1hdr n ARG 10 N -0.01 0.00 -3.92 0.00 0.63 -1.26 -5.04 116.66 107.06 1hdr n ARG 10 Ca -0.10 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.53 1hdr n ARG 10 Cb 0.62 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.38 1hdr n ARG 10 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1hdr s ARG 11 N 0.00 1.37 -0.05 -0.14 0.52 -1.26 -0.45 118.95 118.94 1hdr s ARG 11 Ca 0.00 -1.28 0.06 0.00 -0.52 0.00 0.00 55.73 53.99 1hdr s ARG 11 Cb 0.00 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 1hdr s ARG 11 CO 0.00 -0.79 -0.24 0.08 0.02 0.00 0.00 175.30 174.37 1hdr s VAL 12 N 1.30 1.93 -0.26 3.52 1.01 -0.74 0.24 120.40 127.40 1hdr s VAL 12 Ca 0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1hdr s VAL 12 Cb -0.19 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1hdr s VAL 12 CO -0.11 0.54 0.08 -0.22 0.00 0.00 0.00 175.10 175.39 1hdr s LEU 13 N -0.15 3.55 -0.23 3.92 1.98 -0.45 -0.81 118.68 126.49 1hdr s LEU 13 Ca -0.03 -0.26 -0.04 0.00 -2.89 0.00 0.00 54.13 50.90 1hdr s LEU 13 Cb -0.13 -1.94 -0.01 0.00 0.66 0.00 0.00 46.19 44.78 1hdr s LEU 13 CO 0.03 -0.06 -0.02 -0.69 -1.89 0.00 0.00 176.35 173.72 1hdr s VAL 14 N 1.61 3.50 -0.47 1.68 1.01 -0.32 -1.20 120.40 126.21 1hdr s VAL 14 Ca 0.06 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1hdr s VAL 14 Cb -0.15 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.63 1hdr s VAL 14 CO 0.04 0.35 0.59 -0.47 0.00 0.00 0.00 175.10 175.62 1hdr s TYR 15 N 1.48 3.08 0.00 5.22 6.14 -0.41 -0.48 117.35 132.37 1hdr s TYR 15 Ca 0.05 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 57.35 1hdr s TYR 15 Cb -0.15 -3.37 0.00 0.00 0.42 0.00 0.00 41.96 38.86 1hdr s TYR 15 CO -0.02 -0.93 0.00 0.41 0.64 0.00 0.00 175.55 175.65 1hdr n GLY 16 N 5.13 1.85 0.36 8.97 0.00 0.09 -1.37 105.19 120.23 1hdr n GLY 16 Ca -0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.13 1hdr n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hdr h GLY 17 N 0.00 0.00 -1.89 -0.02 0.00 -1.57 -1.15 103.07 98.44 1hdr h GLY 17 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1hdr h GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1hdr n ARG 18 N -3.18 3.17 -2.55 4.80 5.12 -1.26 -2.01 116.66 120.75 1hdr n ARG 18 Ca 0.03 -2.90 -0.23 0.00 -1.93 0.00 0.00 57.85 52.82 1hdr n ARG 18 Cb 0.57 -1.91 0.09 0.00 -1.16 0.00 0.00 32.46 30.05 1hdr n ARG 18 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1hdr s GLY 19 N -1.79 1.77 0.16 -0.13 0.00 -0.43 -4.81 107.32 102.09 1hdr s GLY 19 Ca 0.44 -1.56 -0.19 0.00 0.00 0.00 0.00 44.72 43.41 1hdr s GLY 19 CO 0.10 -1.06 1.65 0.00 0.00 0.00 0.00 173.10 173.78 1hdr h ALA 20 N -0.43 0.11 0.02 3.20 0.00 -1.95 -1.08 119.26 119.14 1hdr h ALA 20 Ca -0.38 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1hdr h ALA 20 Cb 1.28 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1hdr h ALA 20 CO 0.44 -0.54 -0.01 1.25 0.00 0.00 0.00 179.25 180.39 1hdr h LEU 21 N -0.10 -0.02 -0.56 0.00 5.85 -1.93 -3.26 115.31 115.28 1hdr h LEU 21 Ca 0.18 -0.72 0.11 0.00 0.84 0.00 0.00 57.88 58.29 1hdr h LEU 21 Cb 0.38 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1hdr h LEU 21 CO -0.42 0.75 0.01 1.23 -0.34 0.00 0.00 178.44 179.66 1hdr h GLY 22 N -0.83 0.59 1.32 3.75 0.00 -1.68 -1.37 103.07 104.84 1hdr h GLY 22 Ca -0.00 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1hdr h GLY 22 CO 0.00 -0.16 -0.13 1.48 0.00 0.00 0.00 176.54 177.73 1hdr h SER 23 N 0.12 0.79 -0.78 0.19 4.64 -0.56 -0.65 113.55 117.30 1hdr h SER 23 Ca 0.29 -0.25 0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1hdr h SER 23 Cb 0.45 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 1hdr h SER 23 CO -0.47 0.94 0.51 0.03 -0.87 0.00 0.00 176.83 176.97 1hdr h ARG 24 N 0.72 0.61 -0.23 4.77 2.47 -1.33 0.19 114.38 121.58 1hdr h ARG 24 Ca 0.12 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 1hdr h ARG 24 Cb 0.62 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1hdr h ARG 24 CO 0.04 0.40 -0.30 0.00 0.56 0.00 0.00 179.97 180.67 1hdr h VAL 26 N 0.31 1.21 -0.07 0.00 2.07 -0.25 -0.62 116.25 118.91 1hdr h VAL 26 Ca 0.03 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1hdr h VAL 26 Cb 0.88 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1hdr h VAL 26 CO 0.07 0.24 -0.25 1.56 0.02 0.00 0.00 177.57 179.21 1hdr h GLN 27 N 0.40 -0.34 -0.35 1.57 4.20 -0.66 -1.92 115.11 118.01 1hdr h GLN 27 Ca 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1hdr h GLN 27 Cb 0.27 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1hdr h GLN 27 CO -0.00 -0.22 0.18 0.00 -0.67 0.00 0.00 178.83 178.11 1hdr h ALA 28 N 0.54 0.46 0.00 3.87 0.00 -1.02 -0.96 119.26 122.15 1hdr h ALA 28 Ca 0.08 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1hdr h ALA 28 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1hdr h ALA 28 CO -0.27 0.00 -0.66 0.74 0.00 0.00 0.00 179.25 179.07 1hdr h PHE 29 N 0.44 0.00 -0.59 0.00 0.04 -1.10 -2.97 116.94 112.76 1hdr h PHE 29 Ca 0.12 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 1hdr h PHE 29 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1hdr h PHE 29 CO -0.02 0.66 0.08 0.00 -0.60 0.00 0.00 178.31 178.43 1hdr h ARG 30 N 0.00 0.96 -0.99 1.51 2.47 -1.26 -1.00 114.38 116.07 1hdr h ARG 30 Ca -0.01 -0.24 0.17 0.00 -1.26 0.00 0.00 59.98 58.64 1hdr h ARG 30 Cb 1.34 -0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 29.45 1hdr h ARG 30 CO 0.09 0.89 0.62 0.00 0.56 0.00 0.00 179.97 182.13 1hdr h ALA 31 N 1.18 1.70 -0.07 0.04 0.00 -1.07 0.30 119.26 121.34 1hdr h ALA 31 Ca 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1hdr h ALA 31 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hdr h ALA 31 CO 0.01 -0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.77 1hdr n ARG 32 N -4.70 1.48 -2.00 0.00 1.74 -0.91 -4.88 116.66 107.38 1hdr n ARG 32 Ca 0.22 -0.39 -0.13 0.00 -0.77 0.00 0.00 57.85 56.78 1hdr n ARG 32 Cb 0.54 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1hdr n ARG 32 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1hdr n ASN 33 N 0.08 -3.75 -4.81 0.55 4.13 0.10 -4.99 115.26 106.57 1hdr n ASN 33 Ca 0.03 0.24 -0.34 0.00 1.68 0.00 0.00 54.58 56.19 1hdr n ASN 33 Cb 0.37 -3.31 -0.07 0.00 -1.54 0.00 0.00 39.78 35.23 1hdr n ASN 33 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1hdr s TRP 34 N -2.41 3.46 -0.24 3.10 0.52 -0.43 -5.00 118.94 117.95 1hdr s TRP 34 Ca 0.00 1.65 -0.29 0.00 0.02 0.00 0.00 56.10 57.48 1hdr s TRP 34 Cb 0.00 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.45 1hdr s TRP 34 CO 0.00 0.03 1.36 -0.46 0.02 0.00 0.00 176.95 177.89 1hdr s TRP 35 N -1.95 2.61 -0.21 -1.98 -0.00 0.40 -4.30 118.94 113.50 1hdr s TRP 35 Ca 0.57 0.83 0.01 0.00 -0.00 0.00 0.00 56.10 57.51 1hdr s TRP 35 Cb -0.13 -3.80 0.03 0.00 -0.00 0.00 0.00 33.47 29.57 1hdr s TRP 35 CO 0.17 -2.00 -0.16 0.08 -0.00 0.00 0.00 176.95 175.04 1hdr s VAL 36 N 4.23 2.19 0.00 5.86 1.01 -1.26 -1.79 120.40 130.66 1hdr s VAL 36 Ca 0.59 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1hdr s VAL 36 Cb -0.20 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1hdr s VAL 36 CO 0.22 0.35 0.33 0.00 0.00 0.00 0.00 175.10 176.00 1hdr s ALA 37 N 1.24 3.77 -0.18 5.51 0.00 0.01 -0.50 121.76 131.61 1hdr s ALA 37 Ca 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 1hdr s ALA 37 Cb -0.15 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1hdr s ALA 37 CO -0.10 0.56 0.10 0.45 0.00 0.00 0.00 175.76 176.78 1hdr s SER 38 N -1.40 6.01 -0.37 0.00 0.15 0.34 -1.17 113.70 117.26 1hdr s SER 38 Ca 0.26 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.10 1hdr s SER 38 Cb -0.14 -2.03 0.09 0.00 -1.71 0.00 0.00 66.02 62.23 1hdr s SER 38 CO 0.14 0.21 0.12 -0.69 1.20 0.00 0.00 173.24 174.22 1hdr s VAL 39 N 0.15 3.03 0.03 4.45 1.01 0.36 0.01 120.40 129.44 1hdr s VAL 39 Ca 0.07 -1.92 -0.00 0.00 0.00 0.00 0.00 61.98 60.13 1hdr s VAL 39 Cb -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1hdr s VAL 39 CO -0.00 -0.51 0.04 -0.67 0.00 0.00 0.00 175.10 173.95 1hdr n ASP 40 N 4.54 -0.12 -0.25 3.32 -0.08 -0.70 -0.73 116.55 122.53 1hdr n ASP 40 Ca -0.04 -1.13 0.14 0.00 -1.51 0.00 0.00 54.79 52.25 1hdr n ASP 40 Cb 0.42 0.21 0.60 0.00 2.34 0.00 0.00 41.12 44.69 1hdr n ASP 40 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1hdr n VAL 41 N -0.04 0.00 -3.86 5.18 0.24 -1.26 0.66 118.33 119.25 1hdr n VAL 41 Ca -0.00 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1hdr n VAL 41 Cb 0.04 0.13 -0.12 0.00 -1.47 0.00 0.00 33.84 32.42 1hdr n VAL 41 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1hdr s VAL 42 N -2.21 0.02 0.26 3.34 -7.23 -1.26 -4.72 120.40 108.60 1hdr s VAL 42 Ca 0.35 -0.19 -0.31 0.00 -1.81 0.00 0.00 61.98 60.02 1hdr s VAL 42 Cb 0.21 -0.18 -0.13 0.00 0.56 0.00 0.00 36.38 36.84 1hdr s VAL 42 CO 0.41 -0.11 1.52 1.21 -0.31 0.00 0.00 175.10 177.82 1hdr n GLU 43 N 2.66 2.37 -3.31 4.82 2.13 -1.26 -4.80 120.64 123.26 1hdr n GLU 43 Ca -0.15 0.85 -0.45 0.00 0.66 0.00 0.00 57.16 58.07 1hdr n GLU 43 Cb 0.58 -2.57 -0.00 0.00 0.27 0.00 0.00 31.44 29.72 1hdr n GLU 43 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1hdr s ASN 44 N 0.46 7.29 -0.96 4.31 3.84 -1.26 -4.97 114.94 123.64 1hdr s ASN 44 Ca 0.67 -3.52 -0.24 0.00 0.21 0.00 0.00 52.86 49.98 1hdr s ASN 44 Cb -0.58 -2.23 -0.07 0.00 -0.55 0.00 0.00 41.25 37.83 1hdr s ASN 44 CO 0.48 -0.34 1.99 -0.70 -2.79 0.00 0.00 177.10 175.74 1hdr s GLU 45 N -0.98 2.42 0.00 0.43 2.56 -1.26 -0.21 118.70 121.66 1hdr s GLU 45 Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 54.97 54.87 1hdr s GLU 45 Cb -0.09 -5.07 0.00 0.00 2.00 0.00 0.00 34.13 30.96 1hdr s GLU 45 CO -0.07 -3.65 0.00 -1.91 -0.56 0.00 0.00 175.26 169.06 1hdr n GLU 46 N 8.72 0.00 -1.44 4.30 2.13 -1.26 -5.13 120.64 127.97 1hdr n GLU 46 Ca 0.42 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.93 1hdr n GLU 46 Cb 0.47 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.26 1hdr n GLU 46 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hdr s ALA 47 N 0.00 2.34 0.01 4.31 0.00 0.71 -4.89 121.76 124.24 1hdr s ALA 47 Ca 0.00 0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.25 1hdr s ALA 47 Cb 0.00 -3.19 0.74 0.00 0.00 0.00 0.00 23.12 20.66 1hdr s ALA 47 CO 0.00 -1.61 1.74 0.77 0.00 0.00 0.00 175.76 176.67 1hdr h SER 48 N -1.01 0.00 -2.34 0.00 0.02 -1.09 -3.44 113.55 105.70 1hdr h SER 48 Ca -0.45 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.58 1hdr h SER 48 Cb 1.24 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.55 1hdr h SER 48 CO 0.55 0.23 0.08 0.00 -1.14 0.00 0.00 176.83 176.56 1hdr s ALA 49 N -3.47 -2.13 0.02 3.77 0.00 -1.22 -4.99 121.76 113.73 1hdr s ALA 49 Ca 0.02 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.29 1hdr s ALA 49 Cb 0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1hdr s ALA 49 CO 0.65 -0.61 0.11 -1.12 0.00 0.00 0.00 175.76 174.79 1hdr s SER 50 N 2.05 5.81 -0.14 0.00 0.01 -1.26 -0.51 113.70 119.66 1hdr s SER 50 Ca -0.08 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1hdr s SER 50 Cb -0.07 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 1hdr s SER 50 CO -0.18 0.24 -0.15 -0.63 0.41 0.00 0.00 173.24 172.93 1hdr s ILE 51 N -1.28 2.78 -0.14 1.44 1.09 0.10 -4.92 121.20 120.27 1hdr s ILE 51 Ca 0.26 -0.75 -0.14 0.00 -1.10 0.00 0.00 60.65 58.92 1hdr s ILE 51 Cb -0.12 -2.16 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 1hdr s ILE 51 CO 0.18 0.52 0.31 -0.63 -0.10 0.00 0.00 174.94 175.21 1hdr s ILE 52 N 0.54 5.28 0.03 2.92 1.09 -1.26 -1.73 121.20 128.09 1hdr s ILE 52 Ca -0.10 0.58 -0.24 0.00 -1.10 0.00 0.00 60.65 59.80 1hdr s ILE 52 Cb -0.16 -3.64 -0.06 0.00 -1.06 0.00 0.00 42.46 37.55 1hdr s ILE 52 CO 0.04 0.42 0.71 -0.69 -0.10 0.00 0.00 174.94 175.32 1hdr s VAL 53 N 0.23 4.77 0.14 2.92 1.01 0.21 -4.93 120.40 124.75 1hdr s VAL 53 Ca 0.18 1.51 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 1hdr s VAL 53 Cb -0.13 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1hdr s VAL 53 CO 0.05 0.39 1.44 -0.75 0.00 0.00 0.00 175.10 176.23 1hdr s LYS 54 N -0.15 4.29 -0.59 2.72 2.20 -1.26 -4.60 119.74 122.35 1hdr s LYS 54 Ca 0.36 2.18 -0.27 0.00 -0.36 0.00 0.00 55.97 57.88 1hdr s LYS 54 Cb -0.20 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.95 1hdr s LYS 54 CO 0.21 -0.48 1.13 -1.64 -0.36 0.00 0.00 175.35 174.21 1hdr s MET 55 N 0.96 3.43 0.04 4.03 -1.94 -1.26 -4.82 119.30 119.74 1hdr s MET 55 Ca 0.66 0.06 -0.05 0.00 -1.71 0.00 0.00 55.69 54.64 1hdr s MET 55 Cb -0.39 -4.04 -0.01 0.00 2.01 0.00 0.00 34.83 32.39 1hdr s MET 55 CO 0.32 -1.67 0.09 -0.08 -0.01 0.00 0.00 175.02 173.66 1hdr s THR 56 N 4.75 0.13 -0.21 2.05 -1.32 -1.26 -5.04 115.64 114.75 1hdr s THR 56 Ca 0.39 -1.11 0.18 0.00 -1.21 0.00 0.00 61.69 59.94 1hdr s THR 56 Cb -0.09 -0.90 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1hdr s THR 56 CO 0.23 -0.61 1.22 0.44 -2.21 0.00 0.00 174.62 173.68 1hdr h ASP 57 N 3.66 0.00 -2.87 8.08 3.32 -2.05 -3.45 116.42 123.11 1hdr h ASP 57 Ca -0.33 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.16 1hdr h ASP 57 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1hdr h ASP 57 CO 0.51 0.35 0.94 -0.55 -1.72 0.00 0.00 179.24 178.77 1hdr s SER 58 N -6.03 6.87 0.14 6.45 0.15 -1.26 -4.93 113.70 115.09 1hdr s SER 58 Ca 0.02 1.74 -0.14 0.00 0.70 0.00 0.00 55.95 58.27 1hdr s SER 58 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1hdr s SER 58 CO 0.76 -0.82 1.61 0.15 1.20 0.00 0.00 173.24 176.15 1hdr h PHE 59 N 8.52 0.79 0.00 3.44 3.57 -2.00 -2.86 116.94 128.40 1hdr h PHE 59 Ca -0.28 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 1hdr h PHE 59 Cb 1.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1hdr h PHE 59 CO 0.82 0.76 -0.25 1.79 -2.23 0.00 0.00 178.31 179.20 1hdr h THR 60 N 0.60 0.99 0.20 4.41 1.35 -1.98 -0.02 112.91 118.44 1hdr h THR 60 Ca 0.13 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1hdr h THR 60 Cb 0.40 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1hdr h THR 60 CO 0.01 0.24 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.35 1hdr h GLU 61 N 0.00 -0.26 -0.63 4.72 4.81 -1.96 0.55 114.58 121.81 1hdr h GLU 61 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1hdr h GLU 61 Cb 0.50 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1hdr h GLU 61 CO 0.03 0.10 0.34 0.37 -0.73 0.00 0.00 179.01 179.12 1hdr h GLN 62 N -0.66 0.61 0.62 1.92 4.15 -1.27 -0.97 115.11 119.51 1hdr h GLN 62 Ca -0.03 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1hdr h GLN 62 Cb 0.47 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1hdr h GLN 62 CO 0.04 0.40 -0.33 0.00 -1.93 0.00 0.00 178.83 177.02 1hdr h ALA 63 N 1.33 -0.89 -0.63 3.38 0.00 -0.94 -1.84 119.26 119.67 1hdr h ALA 63 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1hdr h ALA 63 Cb 0.18 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1hdr h ALA 63 CO -0.18 -1.00 0.34 -0.44 0.00 0.00 0.00 179.25 177.96 1hdr h ASP 64 N -0.88 0.78 -0.48 0.00 3.32 -0.79 -0.24 116.42 118.13 1hdr h ASP 64 Ca -0.08 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 1hdr h ASP 64 Cb 0.69 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1hdr h ASP 64 CO 0.12 0.64 -0.08 -0.61 -1.72 0.00 0.00 179.24 177.59 1hdr h GLN 65 N 0.88 0.91 -0.09 3.56 -0.00 -1.11 -0.97 115.11 118.30 1hdr h GLN 65 Ca 0.22 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 1hdr h GLN 65 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.46 1hdr h GLN 65 CO -0.03 0.98 -0.08 0.28 0.00 0.00 0.00 178.83 179.98 1hdr h VAL 66 N 0.76 1.35 -0.94 2.39 2.07 -1.11 -0.45 116.25 120.32 1hdr h VAL 66 Ca 0.13 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1hdr h VAL 66 Cb 0.63 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 1hdr h VAL 66 CO 0.04 0.34 0.59 0.74 0.02 0.00 0.00 177.57 179.30 1hdr h THR 67 N -0.19 1.05 -0.31 2.57 2.02 -1.04 0.21 112.91 117.23 1hdr h THR 67 Ca 0.02 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 1hdr h THR 67 Cb 0.58 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1hdr h THR 67 CO 0.02 0.19 -0.39 0.00 0.37 0.00 0.00 175.52 175.72 1hdr h ALA 68 N 1.44 0.74 -0.19 6.16 0.00 -1.15 -1.64 119.26 124.61 1hdr h ALA 68 Ca 0.41 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1hdr h ALA 68 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1hdr h ALA 68 CO -0.18 0.66 -0.11 1.49 0.00 0.00 0.00 179.25 181.11 1hdr h GLU 69 N 0.60 0.42 -0.89 0.00 4.57 0.33 -2.81 114.58 116.80 1hdr h GLU 69 Ca 0.05 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1hdr h GLU 69 Cb 0.93 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 1hdr h GLU 69 CO 0.08 0.72 0.50 0.28 -1.18 0.00 0.00 179.01 179.41 1hdr h VAL 70 N 0.10 1.25 -0.38 0.32 2.07 -1.04 -1.55 116.25 117.02 1hdr h VAL 70 Ca 0.04 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1hdr h VAL 70 Cb 0.60 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1hdr h VAL 70 CO 0.03 0.28 0.13 1.23 0.02 0.00 0.00 177.57 179.26 1hdr h GLY 71 N 1.24 0.63 1.88 2.17 0.00 -1.31 0.16 103.07 107.85 1hdr h GLY 71 Ca 0.31 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1hdr h GLY 71 CO -0.05 0.34 -0.44 0.50 0.00 0.00 0.00 176.54 176.89 1hdr h LYS 72 N 0.47 0.13 -0.26 4.80 1.79 -1.48 0.36 116.57 122.38 1hdr h LYS 72 Ca 0.12 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.38 1hdr h LYS 72 Cb 0.23 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1hdr h LYS 72 CO -0.01 0.55 -0.45 1.25 -1.08 0.00 0.00 179.45 179.72 1hdr h LEU 73 N 0.11 0.70 0.00 2.94 5.85 -0.97 -3.36 115.31 120.58 1hdr h LEU 73 Ca 0.01 -0.33 -0.22 0.00 0.84 0.00 0.00 57.88 58.18 1hdr h LEU 73 Cb 0.83 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1hdr h LEU 73 CO 0.06 1.05 -1.90 0.18 -0.34 0.00 0.00 178.44 177.49 1hdr n LEU 74 N -4.01 0.39 0.00 2.25 4.77 0.02 -5.03 117.00 115.38 1hdr n LEU 74 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1hdr n LEU 74 Cb 0.55 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1hdr n LEU 74 CO 0.46 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1hdr n GLY 75 N 1.51 3.60 1.42 -0.72 0.00 0.12 -1.56 105.19 109.57 1hdr n GLY 75 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1hdr n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hdr n GLU 76 N 14.00 3.01 -3.53 1.61 0.00 -1.26 -4.90 120.64 129.57 1hdr n GLU 76 Ca 0.00 -1.87 -0.38 0.00 0.00 0.00 0.00 57.16 54.91 1hdr n GLU 76 Cb 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 31.44 29.44 1hdr n GLU 76 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1hdr s GLU 77 N -2.04 4.05 0.37 3.44 0.41 -0.60 -5.08 118.70 119.25 1hdr s GLU 77 Ca 0.33 -0.12 -0.12 0.00 -0.41 0.00 0.00 54.97 54.65 1hdr s GLU 77 Cb 0.26 -3.59 -0.07 0.00 -1.78 0.00 0.00 34.13 28.94 1hdr s GLU 77 CO 0.09 -0.09 0.75 0.15 -0.49 0.00 0.00 175.26 175.67 1hdr s LYS 78 N 1.50 3.87 0.13 1.61 -0.14 -1.26 -4.84 119.74 120.60 1hdr s LYS 78 Ca 0.11 0.54 0.06 0.00 -1.36 0.00 0.00 55.97 55.32 1hdr s LYS 78 Cb -0.15 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.55 1hdr s LYS 78 CO 0.08 0.05 0.02 0.14 -0.76 0.00 0.00 175.35 174.88 1hdr s VAL 79 N -2.21 4.00 0.10 3.17 -7.23 0.42 -4.85 120.40 113.80 1hdr s VAL 79 Ca 0.52 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.41 1hdr s VAL 79 Cb -0.10 -2.96 -0.08 0.00 0.56 0.00 0.00 36.38 33.79 1hdr s VAL 79 CO 0.26 0.02 1.43 0.44 -0.31 0.00 0.00 175.10 176.93 1hdr h ASP 80 N 3.06 0.72 -5.06 4.85 3.32 -0.53 -2.04 116.42 120.74 1hdr h ASP 80 Ca -0.47 -0.46 -0.13 0.00 0.02 0.00 0.00 57.03 55.99 1hdr h ASP 80 Cb 1.18 -0.20 -0.18 0.00 0.22 0.00 0.00 39.33 40.35 1hdr h ASP 80 CO 0.60 1.02 -0.48 0.00 -1.72 0.00 0.00 179.24 178.66 1hdr s ALA 81 N -4.42 -0.20 -0.17 3.45 0.00 -0.87 -1.65 121.76 117.91 1hdr s ALA 81 Ca -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1hdr s ALA 81 Cb 0.09 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1hdr s ALA 81 CO 0.82 -0.31 -0.15 0.42 0.00 0.00 0.00 175.76 176.54 1hdr s ILE 82 N -2.36 1.73 -0.42 0.00 1.01 -0.34 -1.34 121.20 119.48 1hdr s ILE 82 Ca -0.07 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1hdr s ILE 82 Cb -0.02 -1.63 0.09 0.00 0.01 0.00 0.00 42.46 40.90 1hdr s ILE 82 CO -0.03 0.43 0.26 -0.76 0.00 0.00 0.00 174.94 174.84 1hdr s LEU 83 N 1.41 5.24 -1.02 2.97 1.43 -0.35 -1.08 118.68 127.28 1hdr s LEU 83 Ca 0.04 -1.67 -0.20 0.00 -1.03 0.00 0.00 54.13 51.27 1hdr s LEU 83 Cb -0.13 -1.96 0.10 0.00 0.03 0.00 0.00 46.19 44.23 1hdr s LEU 83 CO -0.11 -0.56 1.34 0.00 0.23 0.00 0.00 176.35 177.24 1hdr n VAL 85 N 6.07 0.00 -1.49 0.00 0.24 -0.75 -3.14 118.33 119.26 1hdr n VAL 85 Ca 0.31 -0.17 -0.49 0.00 -2.04 0.00 0.00 64.34 61.94 1hdr n VAL 85 Cb 0.49 0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 1hdr n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hdr n ALA 86 N -0.49 -2.00 0.00 2.33 0.00 -0.47 -4.86 120.51 115.02 1hdr n ALA 86 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1hdr n ALA 86 Cb 0.41 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1hdr n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hdr n GLY 87 N 1.78 -0.56 0.00 0.00 0.00 -1.26 -4.74 105.19 100.41 1hdr n GLY 87 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1hdr n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hdr n GLY 88 N 0.00 -0.75 3.14 -0.02 0.00 -1.26 -4.99 105.19 101.31 1hdr n GLY 88 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1hdr n GLY 88 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1hdr s TRP 89 N -2.84 0.15 -0.24 1.61 -0.00 -1.26 -5.07 118.94 111.29 1hdr s TRP 89 Ca 0.00 -0.44 -0.22 0.00 -0.00 0.00 0.00 56.10 55.44 1hdr s TRP 89 Cb 0.00 -0.10 0.06 0.00 -0.00 0.00 0.00 33.47 33.43 1hdr s TRP 89 CO 0.00 -0.40 0.64 0.00 -0.00 0.00 0.00 176.95 177.19 1hdr s ALA 90 N -2.68 -1.59 0.41 5.86 0.00 -1.26 -5.07 121.76 117.43 1hdr s ALA 90 Ca -0.04 1.80 0.02 0.00 0.00 0.00 0.00 51.96 53.74 1hdr s ALA 90 Cb -0.01 -1.04 0.06 0.00 0.00 0.00 0.00 23.12 22.13 1hdr s ALA 90 CO -0.05 -0.30 0.41 0.41 0.00 0.00 0.00 175.76 176.23 1hdr n GLY 91 N 2.71 1.30 0.00 0.00 0.00 -1.26 -4.55 105.19 103.39 1hdr n GLY 91 Ca -0.14 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1hdr n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hdr n GLY 92 N 1.64 4.47 3.98 -0.02 0.00 0.17 -4.90 105.19 110.54 1hdr n GLY 92 Ca 0.07 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1hdr n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdr s ASN 93 N 0.00 4.94 0.43 1.61 6.03 -1.25 -1.52 114.94 125.18 1hdr s ASN 93 Ca 0.00 -0.20 0.29 0.00 -1.03 0.00 0.00 52.86 51.92 1hdr s ASN 93 Cb 0.00 -0.49 1.55 0.00 -3.03 0.00 0.00 41.25 39.29 1hdr s ASN 93 CO 0.00 -1.40 1.89 0.00 -2.03 0.00 0.00 177.10 175.56 1hdr h ALA 94 N -0.12 1.00 0.00 3.54 0.00 -1.97 -2.57 119.26 119.14 1hdr h ALA 94 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1hdr h ALA 94 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1hdr h ALA 94 CO 0.47 0.00 -0.53 1.17 0.00 0.00 0.00 179.25 180.36 1hdr n LYS 95 N -2.53 0.15 -2.15 0.00 4.81 -1.26 -4.96 118.16 112.22 1hdr n LYS 95 Ca -0.02 0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.06 1hdr n LYS 95 Cb 0.06 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 1hdr n LYS 95 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1hdr s SER 96 N -3.63 6.82 0.57 3.14 0.15 -0.97 -4.95 113.70 114.83 1hdr s SER 96 Ca 0.09 2.63 0.36 0.00 0.70 0.00 0.00 55.95 59.72 1hdr s SER 96 Cb 0.15 -2.64 1.65 0.00 -1.71 0.00 0.00 66.02 63.48 1hdr s SER 96 CO 0.70 -0.51 2.10 0.11 1.20 0.00 0.00 173.24 176.83 1hdr h LYS 97 N 3.73 0.00 -0.17 5.44 1.79 -1.93 -1.00 116.57 124.43 1hdr h LYS 97 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1hdr h LYS 97 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1hdr h LYS 97 CO 0.68 0.03 0.00 0.43 -1.08 0.00 0.00 179.45 179.50 1hdr n SER 98 N -3.17 1.70 -0.22 0.86 7.64 -1.26 -4.59 113.62 114.59 1hdr n SER 98 Ca -0.01 -1.72 -0.01 0.00 1.01 0.00 0.00 58.87 58.14 1hdr n SER 98 Cb 0.24 -0.11 0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1hdr n SER 98 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1hdr h LEU 99 N 2.25 0.46 -0.06 -3.43 5.85 -1.51 -1.24 115.31 117.63 1hdr h LEU 99 Ca 0.00 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1hdr h LEU 99 Cb 0.49 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1hdr h LEU 99 CO 0.00 0.29 -0.43 -0.26 -0.34 0.00 0.00 178.44 177.70 1hdr h PHE 100 N 0.60 0.55 -0.30 1.25 0.04 -1.82 -1.20 116.94 116.06 1hdr h PHE 100 Ca 0.29 -0.26 0.04 0.00 2.80 0.00 0.00 57.97 60.84 1hdr h PHE 100 Cb 0.23 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 1hdr h PHE 100 CO -0.10 1.02 -0.38 0.87 -0.60 0.00 0.00 178.31 179.12 1hdr h LYS 101 N -0.08 -0.25 -0.95 1.51 1.57 -1.84 -1.78 116.57 114.75 1hdr h LYS 101 Ca -0.04 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1hdr h LYS 101 Cb 1.09 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.40 1hdr h LYS 101 CO 0.09 -0.16 0.61 -0.91 -0.57 0.00 0.00 179.45 178.51 1hdr h ASN 102 N -0.26 1.02 -0.47 0.86 -0.26 -1.29 -2.02 115.58 113.17 1hdr h ASN 102 Ca 0.05 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.81 1hdr h ASN 102 Cb 0.40 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.40 1hdr h ASN 102 CO -0.42 0.69 0.28 0.00 -1.06 0.00 0.00 177.43 176.92 1hdr h ASP 104 N 0.55 0.24 -0.25 0.00 3.58 -0.83 -1.15 116.42 118.57 1hdr h ASP 104 Ca 0.19 -0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.69 1hdr h ASP 104 Cb 0.02 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 40.94 1hdr h ASP 104 CO -0.09 0.18 -0.19 0.25 -2.88 0.00 0.00 179.24 176.51 1hdr h LEU 105 N 0.29 -0.60 -1.39 2.28 5.85 -1.28 -1.73 115.31 118.73 1hdr h LEU 105 Ca 0.08 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1hdr h LEU 105 Cb -0.02 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1hdr h LEU 105 CO -0.03 -0.22 0.46 0.24 -0.34 0.00 0.00 178.44 178.55 1hdr h MET 106 N -0.18 0.75 0.25 1.25 2.86 -0.83 -0.56 114.93 118.47 1hdr h MET 106 Ca 0.14 -0.05 -0.34 0.00 -2.06 0.00 0.00 59.70 57.40 1hdr h MET 106 Cb 0.39 -0.17 0.04 0.00 0.06 0.00 0.00 31.60 31.91 1hdr h MET 106 CO -0.36 0.50 -1.52 -1.49 1.06 0.00 0.00 176.91 175.10 1hdr h TRP 107 N 0.77 0.95 -0.12 -0.22 6.55 -1.01 0.08 115.95 122.95 1hdr h TRP 107 Ca 0.29 -0.69 -0.00 0.00 0.95 0.00 0.00 58.89 59.43 1hdr h TRP 107 Cb 0.16 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1hdr h TRP 107 CO -0.00 1.58 0.06 0.87 -1.05 0.00 0.00 178.44 179.89 1hdr h LYS 108 N 0.14 0.17 -0.28 0.49 1.57 -1.05 0.36 116.57 117.97 1hdr h LYS 108 Ca -0.27 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1hdr h LYS 108 Cb 2.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.43 1hdr h LYS 108 CO 0.26 0.23 0.17 1.96 -0.57 0.00 0.00 179.45 181.51 1hdr h GLN 109 N 0.07 0.39 0.00 3.15 4.20 -1.17 -3.17 115.11 118.57 1hdr h GLN 109 Ca 0.04 -0.04 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 1hdr h GLN 109 Cb 0.12 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 1hdr h GLN 109 CO -0.01 0.31 -2.31 0.43 -0.67 0.00 0.00 178.83 176.58 1hdr n SER 110 N -4.85 1.77 -0.03 1.46 7.64 0.01 -4.02 113.62 115.60 1hdr n SER 110 Ca -0.02 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 59.95 1hdr n SER 110 Cb 0.06 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.53 1hdr n SER 110 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hdr h ILE 111 N -0.71 1.43 -0.09 0.44 2.04 -1.36 -2.70 117.51 116.56 1hdr h ILE 111 Ca -0.59 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 1hdr h ILE 111 Cb 1.57 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1hdr h ILE 111 CO -0.32 0.41 0.02 -0.50 0.00 0.00 0.00 178.15 177.77 1hdr h TRP 112 N -0.32 0.15 -0.30 1.37 4.06 -0.95 -1.76 115.95 118.20 1hdr h TRP 112 Ca -0.00 -0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.95 1hdr h TRP 112 Cb 0.74 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 1hdr h TRP 112 CO 0.12 0.32 0.17 1.79 -3.56 0.00 0.00 178.44 177.28 1hdr h THR 113 N -0.07 1.02 -1.00 1.49 1.35 -1.69 -0.39 112.91 113.62 1hdr h THR 113 Ca 0.03 -0.12 0.03 0.00 -0.55 0.00 0.00 66.41 65.80 1hdr h THR 113 Cb 0.25 0.64 -0.05 0.00 -1.73 0.00 0.00 68.15 67.25 1hdr h THR 113 CO 0.00 0.06 0.66 0.28 -0.25 0.00 0.00 175.52 176.27 1hdr h SER 114 N 0.34 1.12 -0.28 5.36 0.02 -1.46 -0.13 113.55 118.53 1hdr h SER 114 Ca 0.12 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 1hdr h SER 114 Cb 0.02 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1hdr h SER 114 CO -0.07 0.78 -0.26 0.74 -1.14 0.00 0.00 176.83 176.88 1hdr h THR 115 N 1.31 1.30 -0.49 -2.27 2.02 -1.00 -1.19 112.91 112.59 1hdr h THR 115 Ca 0.38 -1.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 1hdr h THR 115 Cb -0.07 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1hdr h THR 115 CO -0.10 0.45 -0.02 0.40 0.37 0.00 0.00 175.52 176.62 1hdr h ILE 116 N 0.40 1.26 -0.80 3.11 2.04 -0.92 -2.08 117.51 120.52 1hdr h ILE 116 Ca 0.05 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1hdr h ILE 116 Cb 0.83 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1hdr h ILE 116 CO 0.07 0.39 0.51 0.28 0.00 0.00 0.00 178.15 179.40 1hdr h SER 117 N 0.75 0.94 -0.15 1.72 0.02 -0.99 -0.05 113.55 115.79 1hdr h SER 117 Ca 0.14 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1hdr h SER 117 Cb 0.54 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1hdr h SER 117 CO 0.03 0.70 -0.37 0.28 -1.14 0.00 0.00 176.83 176.33 1hdr h SER 118 N 1.10 0.71 -0.11 3.07 0.02 -0.99 -0.91 113.55 116.44 1hdr h SER 118 Ca 0.29 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1hdr h SER 118 Cb -0.09 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 1hdr h SER 118 CO -0.06 1.01 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.82 1hdr h HIS 119 N 0.56 0.31 -0.37 3.45 6.17 -0.59 -3.07 115.15 121.61 1hdr h HIS 119 Ca 0.05 -0.09 0.11 0.00 0.71 0.00 0.00 60.37 61.15 1hdr h HIS 119 Cb 0.90 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.74 1hdr h HIS 119 CO 0.04 0.65 0.27 -0.07 0.71 0.00 0.00 177.93 179.53 1hdr h LEU 120 N -0.12 0.00 -0.54 0.26 3.38 -0.95 -2.24 115.31 115.09 1hdr h LEU 120 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1hdr h LEU 120 Cb 0.58 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1hdr h LEU 120 CO 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.38 1hdr h ALA 121 N 1.82 0.74 -0.29 1.53 0.00 -1.09 0.36 119.26 122.33 1hdr h ALA 121 Ca 0.18 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1hdr h ALA 121 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hdr h ALA 121 CO -0.00 0.67 -0.16 1.79 0.00 0.00 0.00 179.25 181.55 1hdr h THR 122 N 0.86 1.24 0.12 0.00 1.35 -1.32 -1.18 112.91 113.99 1hdr h THR 122 Ca 0.12 -1.10 -0.22 0.00 -0.55 0.00 0.00 66.41 64.66 1hdr h THR 122 Cb 0.74 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1hdr h THR 122 CO 0.06 0.36 -0.92 0.11 -0.25 0.00 0.00 175.52 174.87 1hdr h LYS 123 N 0.46 0.41 -0.00 4.72 1.57 -1.44 -3.43 116.57 118.86 1hdr h LYS 123 Ca 0.08 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1hdr h LYS 123 Cb 0.55 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1hdr h LYS 123 CO 0.04 1.26 -0.00 0.72 -0.57 0.00 0.00 179.45 180.89 1hdr n HIS 124 N -4.04 0.00 -2.75 -1.35 8.25 0.12 -4.98 115.22 110.47 1hdr n HIS 124 Ca -0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.93 1hdr n HIS 124 Cb 0.85 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.90 1hdr n HIS 124 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1hdr s LEU 125 N -0.23 4.61 0.63 2.41 2.96 -0.45 -0.44 118.68 128.17 1hdr s LEU 125 Ca 0.02 1.94 -0.16 0.00 -0.22 0.00 0.00 54.13 55.70 1hdr s LEU 125 Cb 0.01 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1hdr s LEU 125 CO 0.02 0.13 1.13 -0.75 -1.32 0.00 0.00 176.35 175.55 1hdr s LYS 126 N -1.30 2.90 0.35 1.98 2.20 -0.77 -4.82 119.74 120.29 1hdr s LYS 126 Ca 0.42 1.50 -0.28 0.00 -0.36 0.00 0.00 55.97 57.25 1hdr s LYS 126 Cb -0.25 -1.95 -0.12 0.00 -1.51 0.00 0.00 37.83 33.99 1hdr s LYS 126 CO 0.31 -1.19 1.28 0.39 -0.36 0.00 0.00 175.35 175.78 1hdr n GLU 127 N -2.11 2.10 -0.21 4.03 1.02 -1.26 -0.78 120.64 123.42 1hdr n GLU 127 Ca 0.11 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1hdr n GLU 127 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1hdr n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hdr n GLY 128 N 0.78 1.69 3.73 0.62 0.00 -0.10 -4.87 105.19 107.04 1hdr n GLY 128 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1hdr n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hdr s GLY 129 N -2.00 1.67 -0.10 -0.02 0.00 0.04 -4.62 107.32 102.30 1hdr s GLY 129 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 44.72 45.01 1hdr s GLY 129 CO 0.00 0.73 0.09 -2.27 0.00 0.00 0.00 173.10 171.65 1hdr s LEU 130 N -6.19 4.11 -0.16 0.66 2.96 -0.66 -1.32 118.68 118.07 1hdr s LEU 130 Ca 0.63 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1hdr s LEU 130 Cb -0.19 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.51 1hdr s LEU 130 CO 0.57 0.39 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.63 1hdr s LEU 131 N -1.04 1.89 -0.11 -0.68 2.96 0.90 -1.20 118.68 121.40 1hdr s LEU 131 Ca 0.15 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1hdr s LEU 131 Cb -0.12 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1hdr s LEU 131 CO 0.04 -0.07 0.02 0.42 -1.32 0.00 0.00 176.35 175.44 1hdr s THR 132 N 1.44 4.47 0.11 3.68 -4.23 -0.24 -0.69 115.64 120.17 1hdr s THR 132 Ca 0.03 -0.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1hdr s THR 132 Cb -0.14 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1hdr s THR 132 CO -0.10 0.57 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.70 1hdr s LEU 133 N -0.54 3.10 -0.34 4.79 2.01 -0.34 -0.89 118.68 126.47 1hdr s LEU 133 Ca 0.10 -0.37 -0.09 0.00 0.01 0.00 0.00 54.13 53.77 1hdr s LEU 133 Cb -0.12 -1.88 0.02 0.00 0.01 0.00 0.00 46.19 44.22 1hdr s LEU 133 CO 0.02 0.17 0.15 0.00 1.01 0.00 0.00 176.35 177.70 1hdr s ALA 134 N -1.27 3.19 0.16 4.21 0.00 -1.19 -1.53 121.76 125.34 1hdr s ALA 134 Ca 0.22 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1hdr s ALA 134 Cb -0.11 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1hdr s ALA 134 CO 0.15 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1hdr n GLY 135 N 4.93 1.43 3.10 0.00 0.00 0.74 -4.92 105.19 110.47 1hdr n GLY 135 Ca -0.13 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 1hdr n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdr s ALA 136 N -2.33 -0.64 0.19 4.61 0.00 -1.26 -4.38 121.76 117.95 1hdr s ALA 136 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1hdr s ALA 136 Cb 0.00 -0.62 0.17 0.00 0.00 0.00 0.00 23.12 22.67 1hdr s ALA 136 CO 0.00 -0.19 1.77 -0.22 0.00 0.00 0.00 175.76 177.13 1hdr h LYS 137 N 6.83 0.46 -1.16 0.00 3.64 -1.50 -1.93 116.57 122.92 1hdr h LYS 137 Ca -0.37 -0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.32 1hdr h LYS 137 Cb 1.17 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.80 1hdr h LYS 137 CO 0.36 0.31 0.78 0.00 -2.27 0.00 0.00 179.45 178.62 1hdr h ALA 138 N 1.31 2.62 0.00 5.00 0.00 -1.93 -1.04 119.26 125.22 1hdr h ALA 138 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1hdr h ALA 138 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hdr h ALA 138 CO -0.20 -1.06 0.00 0.00 0.00 0.00 0.00 179.25 177.99 1hdr n ALA 139 N -2.58 2.46 0.20 0.00 0.00 -0.72 -2.63 120.51 117.24 1hdr n ALA 139 Ca 0.28 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1hdr n ALA 139 Cb 1.12 -1.16 0.14 0.00 0.00 0.00 0.00 19.45 19.55 1hdr n ALA 139 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hdr h LEU 140 N 0.00 0.00-10.12 0.00 3.38 -1.32 -3.42 115.31 103.83 1hdr h LEU 140 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1hdr h LEU 140 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1hdr h LEU 140 CO 0.00 0.00 -0.45 -1.81 0.09 0.00 0.00 178.44 176.27 1hdr s ASP 141 N -6.06 4.28 0.67 -0.43 1.11 -1.08 -5.11 116.67 110.05 1hdr s ASP 141 Ca 0.06 -1.52 -0.16 0.00 0.18 0.00 0.00 52.55 51.11 1hdr s ASP 141 Cb 0.06 0.45 0.01 0.00 1.07 0.00 0.00 42.92 44.51 1hdr s ASP 141 CO 0.69 -0.92 1.15 -0.83 1.18 0.00 0.00 175.17 176.45 1hdr s GLY 142 N -4.00 2.31 -0.63 0.21 0.00 -1.26 -5.00 107.32 98.94 1hdr s GLY 142 Ca 0.15 0.73 0.06 0.00 0.00 0.00 0.00 44.72 45.66 1hdr s GLY 142 CO 0.09 1.10 0.67 -1.30 0.00 0.00 0.00 173.10 173.66 1hdr n THR 143 N -2.37 1.95 -0.30 0.90 -2.24 -1.26 -4.93 114.28 106.02 1hdr n THR 143 Ca 0.12 -5.04 0.26 0.00 -2.27 0.00 0.00 64.05 57.13 1hdr n THR 143 Cb 0.51 -2.10 0.60 0.00 -2.10 0.00 0.00 70.33 67.23 1hdr n THR 143 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1hdr h PRO 144 N 4.45 0.24 -0.59 -0.78 0.13 -1.95 -1.83 132.00 131.67 1hdr h PRO 144 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1hdr h PRO 144 Cb 0.70 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1hdr h PRO 144 CO 0.78 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1hdr n GLY 145 N -1.58 2.95 2.61 1.56 0.00 -1.26 -3.88 105.19 105.58 1hdr n GLY 145 Ca 0.24 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1hdr n GLY 145 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hdr n MET 146 N 0.81 1.11 0.29 1.61 2.81 -0.69 -0.66 117.12 122.40 1hdr n MET 146 Ca 0.26 -2.55 -0.17 0.00 -1.81 0.00 0.00 57.70 53.42 1hdr n MET 146 Cb 1.00 -0.87 -0.09 0.00 -0.71 0.00 0.00 33.22 32.55 1hdr n MET 146 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1hdr h ILE 147 N 2.33 0.15 -0.27 2.02 1.08 -1.27 0.12 117.51 121.68 1hdr h ILE 147 Ca -0.13 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1hdr h ILE 147 Cb 1.17 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 1hdr h ILE 147 CO 0.24 0.00 0.03 1.23 -0.69 0.00 0.00 178.15 178.96 1hdr h GLY 148 N -0.91 0.41 0.42 5.37 0.00 -1.90 -1.31 103.07 105.16 1hdr h GLY 148 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1hdr h GLY 148 CO -0.02 0.20 -0.20 -1.82 0.00 0.00 0.00 176.54 174.69 1hdr h TYR 149 N 0.38 -0.53 -0.67 5.60 3.20 -1.76 -1.10 116.97 122.09 1hdr h TYR 149 Ca 0.09 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.08 1hdr h TYR 149 Cb 0.21 0.17 -0.13 0.00 1.54 0.00 0.00 36.73 38.52 1hdr h TYR 149 CO 0.01 -0.33 -0.25 0.78 -1.64 0.00 0.00 178.16 176.73 1hdr h GLY 150 N -0.90 0.26 0.82 1.82 0.00 -0.72 0.44 103.07 104.79 1hdr h GLY 150 Ca -0.06 0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1hdr h GLY 150 CO 0.10 -0.25 0.09 -0.33 0.00 0.00 0.00 176.54 176.15 1hdr h MET 151 N -0.06 0.20 -0.58 4.80 2.86 -1.29 0.10 114.93 120.96 1hdr h MET 151 Ca 0.30 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.00 1hdr h MET 151 Cb 0.54 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1hdr h MET 151 CO -0.72 0.13 0.26 0.00 1.06 0.00 0.00 176.91 177.64 1hdr h ALA 152 N 1.15 0.75 -0.09 6.32 0.00 -0.08 -2.06 119.26 125.25 1hdr h ALA 152 Ca 0.10 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1hdr h ALA 152 Cb 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1hdr h ALA 152 CO -0.10 -0.11 -0.81 0.87 0.00 0.00 0.00 179.25 179.09 1hdr h LYS 153 N 0.49 0.60 -0.87 0.00 1.79 -0.73 -2.77 116.57 115.09 1hdr h LYS 153 Ca 0.27 -0.53 0.06 0.00 -2.18 0.00 0.00 60.65 58.28 1hdr h LYS 153 Cb 0.25 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 30.96 1hdr h LYS 153 CO -0.22 1.15 0.54 0.78 -1.08 0.00 0.00 179.45 180.61 1hdr h GLY 154 N 0.88 1.31 1.30 3.86 0.00 -0.58 -1.67 103.07 108.18 1hdr h GLY 154 Ca -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1hdr h GLY 154 CO 0.15 0.27 0.26 0.00 0.00 0.00 0.00 176.54 177.22 1hdr h ALA 155 N 1.41 1.29 -0.50 3.60 0.00 -1.25 0.24 119.26 124.04 1hdr h ALA 155 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1hdr h ALA 155 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1hdr h ALA 155 CO -0.17 0.53 0.26 0.28 0.00 0.00 0.00 179.25 180.15 1hdr h VAL 156 N 0.89 1.19 -0.57 0.00 2.07 -1.07 0.20 116.25 118.95 1hdr h VAL 156 Ca 0.21 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1hdr h VAL 156 Cb 0.16 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1hdr h VAL 156 CO -0.02 0.20 0.36 0.45 0.02 0.00 0.00 177.57 178.58 1hdr h HIS 157 N 0.67 0.74 -0.15 1.57 3.86 -0.85 -0.48 115.15 120.51 1hdr h HIS 157 Ca 0.18 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1hdr h HIS 157 Cb 0.09 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1hdr h HIS 157 CO -0.01 0.49 -0.08 0.37 0.86 0.00 0.00 177.93 179.56 1hdr h GLN 158 N 0.77 0.32 -1.01 2.45 -0.00 -0.63 -2.62 115.11 114.40 1hdr h GLN 158 Ca 0.21 -0.14 0.23 0.00 -0.00 0.00 0.00 58.65 58.95 1hdr h GLN 158 Cb -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.32 1hdr h GLN 158 CO -0.04 0.65 0.63 1.25 0.00 0.00 0.00 178.83 181.32 1hdr h LEU 159 N -0.02 0.59 -0.62 -2.39 5.85 -0.80 -1.24 115.31 116.69 1hdr h LEU 159 Ca 0.03 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1hdr h LEU 159 Cb 0.56 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1hdr h LEU 159 CO 0.02 0.16 0.34 0.00 -0.34 0.00 0.00 178.44 178.62 1hdr h GLN 161 N 0.63 0.13 -0.50 0.00 1.08 -1.07 -1.95 115.11 113.43 1hdr h GLN 161 Ca 0.28 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.53 1hdr h GLN 161 Cb 0.17 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.52 1hdr h GLN 161 CO -0.18 0.28 0.15 0.77 -0.95 0.00 0.00 178.83 178.90 1hdr h SER 162 N -0.05 0.11 0.11 1.46 0.02 -1.02 -1.86 113.55 112.32 1hdr h SER 162 Ca 0.03 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1hdr h SER 162 Cb 0.20 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1hdr h SER 162 CO -0.00 0.09 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.54 1hdr h LEU 163 N 0.31 0.11 -0.10 5.07 3.38 -1.08 0.13 115.31 123.12 1hdr h LEU 163 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1hdr h LEU 163 Cb 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1hdr h LEU 163 CO -0.28 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1hdr n ALA 164 N -2.50 1.93 -1.24 1.53 0.00 -0.75 -4.77 120.51 114.72 1hdr n ALA 164 Ca -0.02 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1hdr n ALA 164 Cb 0.26 -1.35 0.09 0.00 0.00 0.00 0.00 19.45 18.45 1hdr n ALA 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hdr s GLY 165 N -3.14 1.91 0.43 0.00 0.00 0.45 -4.96 107.32 102.01 1hdr s GLY 165 Ca 0.09 0.50 -0.26 0.00 0.00 0.00 0.00 44.72 45.05 1hdr s GLY 165 CO 0.40 0.86 1.43 1.25 0.00 0.00 0.00 173.10 177.04 1hdr s LYS 166 N -4.48 3.83 -1.36 2.90 2.47 -1.26 -3.47 119.74 118.37 1hdr s LYS 166 Ca 0.66 2.43 -0.03 0.00 -1.56 0.00 0.00 55.97 57.47 1hdr s LYS 166 Cb -0.21 -2.75 -0.00 0.00 -1.46 0.00 0.00 37.83 33.41 1hdr s LYS 166 CO 0.51 -0.71 0.51 0.09 0.16 0.00 0.00 175.35 175.91 1hdr n ASN 167 N 0.01 -1.03 0.02 1.43 5.03 -1.26 -4.92 115.26 114.54 1hdr n ASN 167 Ca 0.04 -0.98 0.12 0.00 0.87 0.00 0.00 54.58 54.63 1hdr n ASN 167 Cb 0.41 -3.27 0.27 0.00 -1.02 0.00 0.00 39.78 36.17 1hdr n ASN 167 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1hdr n SER 168 N -2.96 0.50 0.00 6.41 3.41 -1.23 -4.97 113.62 114.78 1hdr n SER 168 Ca -0.29 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1hdr n SER 168 Cb 0.67 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1hdr n SER 168 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hdr n GLY 169 N 1.46 3.18 2.95 5.00 0.00 -1.26 -5.01 105.19 111.51 1hdr n GLY 169 Ca 0.05 -1.11 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 1hdr n GLY 169 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hdr n MET 170 N 0.00 0.00 -1.53 1.61 2.81 -1.26 -4.68 117.12 114.07 1hdr n MET 170 Ca 0.00 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.54 1hdr n MET 170 Cb 0.00 -1.09 0.09 0.00 -0.71 0.00 0.00 33.22 31.50 1hdr n MET 170 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1hdr s PRO 171 N -0.37 2.26 0.33 0.03 0.02 -1.26 -4.92 135.00 131.08 1hdr s PRO 171 Ca 0.68 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 63.27 1hdr s PRO 171 Cb -0.96 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 31.59 1hdr s PRO 171 CO 0.48 -1.76 0.78 -2.30 -0.33 0.00 0.00 177.00 173.87 1hdr n PRO 172 N -2.49 0.87 -0.49 5.54 -0.02 -1.26 -1.90 135.00 135.26 1hdr n PRO 172 Ca 0.14 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1hdr n PRO 172 Cb 0.50 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1hdr n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hdr n GLY 173 N 1.53 0.11 3.76 -1.23 0.00 -1.26 -0.92 105.19 107.18 1hdr n GLY 173 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1hdr n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdr s ALA 174 N -1.27 3.38 0.04 4.61 0.00 -0.80 -3.55 121.76 124.18 1hdr s ALA 174 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1hdr s ALA 174 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1hdr s ALA 174 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 175.76 175.95 1hdr s ALA 175 N -0.78 3.30 -0.26 0.00 0.00 -0.43 -4.87 121.76 118.72 1hdr s ALA 175 Ca 0.39 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1hdr s ALA 175 Cb -0.23 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 21.67 1hdr s ALA 175 CO 0.27 0.68 -0.11 0.00 0.00 0.00 0.00 175.76 176.60 1hdr s ALA 176 N -1.20 2.55 0.08 0.00 0.00 -1.25 -0.07 121.76 121.87 1hdr s ALA 176 Ca 0.23 -1.75 0.09 0.00 0.00 0.00 0.00 51.96 50.52 1hdr s ALA 176 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1hdr s ALA 176 CO 0.14 -1.19 -0.21 0.42 0.00 0.00 0.00 175.76 174.92 1hdr s ILE 177 N 1.11 2.62 -0.23 0.00 1.09 0.13 -0.15 121.20 125.77 1hdr s ILE 177 Ca -0.09 -1.40 -0.05 0.00 -1.10 0.00 0.00 60.65 58.01 1hdr s ILE 177 Cb -0.20 -2.13 -0.02 0.00 -1.06 0.00 0.00 42.46 39.05 1hdr s ILE 177 CO -0.05 0.24 0.01 0.00 -0.10 0.00 0.00 174.94 175.03 1hdr s ALA 178 N -0.99 2.98 0.12 9.38 0.00 -0.45 -1.20 121.76 131.60 1hdr s ALA 178 Ca 0.15 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1hdr s ALA 178 Cb -0.10 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.07 1hdr s ALA 178 CO 0.06 -0.43 0.67 0.08 0.00 0.00 0.00 175.76 176.14 1hdr s VAL 179 N 1.50 4.56 -0.58 0.00 1.01 -0.58 -0.90 120.40 125.41 1hdr s VAL 179 Ca 0.06 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1hdr s VAL 179 Cb -0.15 -4.02 0.17 0.00 0.00 0.00 0.00 36.38 32.38 1hdr s VAL 179 CO 0.00 0.53 0.43 -0.76 0.00 0.00 0.00 175.10 175.30 1hdr s LEU 180 N -1.09 3.38 1.22 3.92 1.02 0.14 -0.19 118.68 127.09 1hdr s LEU 180 Ca 0.32 -3.52 -0.19 0.00 0.02 0.00 0.00 54.13 50.77 1hdr s LEU 180 Cb -0.21 -1.13 0.29 0.00 0.02 0.00 0.00 46.19 45.16 1hdr s LEU 180 CO 0.23 -0.12 1.08 -2.16 0.02 0.00 0.00 176.35 175.39 1hdr s PRO 181 N -0.81 -1.39 -0.01 1.29 0.04 -1.26 -2.09 135.00 130.78 1hdr s PRO 181 Ca 0.28 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.30 1hdr s PRO 181 Cb -0.01 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.94 1hdr s PRO 181 CO -0.18 -3.84 -0.11 0.28 0.04 0.00 0.00 177.00 173.19 1hdr n VAL 182 N -4.87 1.07 -3.75 -0.36 0.31 -1.26 -1.87 118.33 107.59 1hdr n VAL 182 Ca 0.12 0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 1hdr n VAL 182 Cb 0.59 -1.75 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1hdr n VAL 182 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1hdr s THR 183 N -2.08 -0.03 0.33 2.52 2.01 -1.26 -5.01 115.64 112.13 1hdr s THR 183 Ca -0.09 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1hdr s THR 183 Cb 0.01 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 1hdr s THR 183 CO 0.13 0.05 0.61 -0.76 -0.69 0.00 0.00 174.62 173.96 1hdr s LEU 184 N 0.89 3.98 -0.32 4.42 1.43 -1.26 -1.07 118.68 126.75 1hdr s LEU 184 Ca -0.06 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 53.60 1hdr s LEU 184 Cb -0.08 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 1hdr s LEU 184 CO -0.05 -0.27 0.74 -0.62 0.23 0.00 0.00 176.35 176.37 1hdr s ASP 185 N -3.32 6.59 0.01 2.29 -1.08 0.17 -4.65 116.67 116.68 1hdr s ASP 185 Ca 0.45 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 53.02 1hdr s ASP 185 Cb -0.10 -2.38 -0.01 0.00 -1.46 0.00 0.00 42.92 38.96 1hdr s ASP 185 CO 0.32 -0.60 -0.02 0.42 0.52 0.00 0.00 175.17 175.81 1hdr s THR 186 N 2.88 0.13 0.26 1.71 -4.23 -1.26 -4.52 115.64 110.62 1hdr s THR 186 Ca 0.30 -0.42 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1hdr s THR 186 Cb -0.14 -0.19 0.26 0.00 1.34 0.00 0.00 72.50 73.77 1hdr s THR 186 CO 0.13 -0.18 1.87 1.55 -0.54 0.00 0.00 174.62 177.45 1hdr h PRO 187 N 5.50 1.10 -0.65 3.99 0.13 -1.99 0.02 132.00 140.10 1hdr h PRO 187 Ca -0.28 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1hdr h PRO 187 Cb 1.21 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1hdr h PRO 187 CO 0.47 0.73 0.27 0.52 -0.23 0.00 0.00 178.00 179.75 1hdr h MET 188 N 1.14 0.95 -0.27 0.86 2.86 -1.97 -1.52 114.93 116.98 1hdr h MET 188 Ca 0.43 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1hdr h MET 188 Cb 0.19 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1hdr h MET 188 CO -0.18 0.77 -0.02 -0.91 1.06 0.00 0.00 176.91 177.64 1hdr h ASN 189 N 0.94 0.48 -0.36 1.22 2.35 -1.54 -3.20 115.58 115.46 1hdr h ASN 189 Ca 0.22 -0.32 0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1hdr h ASN 189 Cb 0.17 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1hdr h ASN 189 CO -0.02 0.69 0.05 0.03 -1.65 0.00 0.00 177.43 176.53 1hdr h ARG 190 N 0.26 0.16 -4.27 0.81 3.08 -0.86 -0.57 114.38 113.00 1hdr h ARG 190 Ca 0.07 -0.01 -0.76 0.00 0.07 0.00 0.00 59.98 59.36 1hdr h ARG 190 Cb 0.45 -0.04 -0.23 0.00 0.08 0.00 0.00 29.97 30.24 1hdr h ARG 190 CO 0.02 0.11 0.56 -1.59 -1.07 0.00 0.00 179.97 178.00 1hdr s LYS 191 N -6.17 3.79 0.00 0.04 -2.85 -0.59 -3.20 119.74 110.76 1hdr s LYS 191 Ca -0.13 -2.42 0.00 0.00 -1.00 0.00 0.00 55.97 52.42 1hdr s LYS 191 Cb 0.13 -4.69 0.00 0.00 -2.06 0.00 0.00 37.83 31.21 1hdr s LYS 191 CO 0.71 -1.49 0.00 0.43 0.10 0.00 0.00 175.35 175.10 1hdr n SER 192 N 4.73 0.00 -3.17 0.03 7.64 -1.06 -4.77 113.62 117.02 1hdr n SER 192 Ca 0.22 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.87 1hdr n SER 192 Cb 0.46 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1hdr n SER 192 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1hdr n MET 193 N 0.00 1.76 0.19 1.43 2.81 -0.25 -4.98 117.12 118.08 1hdr n MET 193 Ca 0.00 -3.95 0.14 0.00 -1.81 0.00 0.00 57.70 52.08 1hdr n MET 193 Cb 0.00 -1.82 0.63 0.00 -0.71 0.00 0.00 33.22 31.32 1hdr n MET 193 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1hdr h PRO 194 N 3.46 0.00 -0.82 0.03 0.13 -1.79 -1.96 132.00 131.06 1hdr h PRO 194 Ca 0.12 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.71 1hdr h PRO 194 Cb 0.77 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.60 1hdr h PRO 194 CO 0.63 0.00 0.17 0.39 -0.23 0.00 0.00 178.00 178.97 1hdr n GLU 195 N -2.46 2.80 0.00 0.86 4.71 -1.26 -4.89 120.64 120.40 1hdr n GLU 195 Ca 0.00 -3.52 0.12 0.00 -0.01 0.00 0.00 57.16 53.74 1hdr n GLU 195 Cb 0.16 -2.20 0.13 0.00 -1.01 0.00 0.00 31.44 28.52 1hdr n GLU 195 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1hdr n ALA 196 N -0.91 3.45 -2.87 0.62 0.00 -0.74 -5.01 120.51 115.05 1hdr n ALA 196 Ca 0.52 -0.55 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1hdr n ALA 196 Cb 0.91 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hdr n ALA 196 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hdr n ASP 197 N -0.33 -7.27 0.18 0.00 2.03 -1.26 -4.89 116.55 105.01 1hdr n ASP 197 Ca 0.10 0.03 0.09 0.00 0.52 0.00 0.00 54.79 55.53 1hdr n ASP 197 Cb 0.42 -4.91 0.48 0.00 -0.72 0.00 0.00 41.12 36.39 1hdr n ASP 197 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1hdr h PHE 198 N 0.66 0.00 0.00 -0.67 0.04 -1.94 -0.75 116.94 114.27 1hdr h PHE 198 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1hdr h PHE 198 Cb 0.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 1hdr h PHE 198 CO 0.16 0.00 -0.07 1.03 -0.60 0.00 0.00 178.31 178.83 1hdr h SER 199 N 0.00 0.00 -0.12 2.17 0.87 -1.95 -0.23 113.55 114.29 1hdr h SER 199 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hdr h SER 199 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1hdr h SER 199 CO 0.00 0.07 0.00 -1.54 -0.53 0.00 0.00 176.83 174.83 1hdr n SER 200 N -3.67 1.76 -4.81 6.23 3.41 -0.29 -0.85 113.62 115.41 1hdr n SER 200 Ca -0.02 -1.66 -0.38 0.00 -0.26 0.00 0.00 58.87 56.55 1hdr n SER 200 Cb 0.18 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1hdr n SER 200 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1hdr s TRP 201 N -1.85 3.66 -0.02 7.33 0.51 -0.10 -4.42 118.94 124.04 1hdr s TRP 201 Ca 0.34 0.89 -0.30 0.00 -2.12 0.00 0.00 56.10 54.92 1hdr s TRP 201 Cb 0.19 -2.30 -0.04 0.00 -0.81 0.00 0.00 33.47 30.52 1hdr s TRP 201 CO 0.29 0.54 1.14 0.99 -0.51 0.00 0.00 176.95 179.41 1hdr s THR 202 N -0.67 4.35 0.42 2.01 2.01 -0.23 -4.63 115.64 118.90 1hdr s THR 202 Ca 0.22 1.68 -0.26 0.00 0.31 0.00 0.00 61.69 63.64 1hdr s THR 202 Cb -0.16 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 1hdr s THR 202 CO 0.11 0.05 1.32 -2.16 -0.69 0.00 0.00 174.62 173.26 1hdr s PRO 203 N 1.71 3.87 0.24 4.92 0.04 -1.26 0.44 135.00 144.97 1hdr s PRO 203 Ca 0.55 2.20 -0.03 0.00 0.04 0.00 0.00 61.00 63.76 1hdr s PRO 203 Cb -0.25 -2.71 0.28 0.00 0.04 0.00 0.00 34.50 31.87 1hdr s PRO 203 CO 0.24 -0.58 1.72 -0.07 0.04 0.00 0.00 177.00 178.35 1hdr h LEU 204 N 2.54 0.79 -1.07 -3.56 3.38 -1.96 -2.87 115.31 112.56 1hdr h LEU 204 Ca -0.50 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.30 1hdr h LEU 204 Cb 1.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1hdr h LEU 204 CO 0.62 0.88 0.63 -0.33 0.09 0.00 0.00 178.44 180.33 1hdr h GLU 205 N 0.75 1.15 -0.87 1.13 3.07 -1.96 -0.19 114.58 117.66 1hdr h GLU 205 Ca 0.14 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1hdr h GLU 205 Cb 0.52 -0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1hdr h GLU 205 CO 0.03 0.76 0.56 0.35 -1.40 0.00 0.00 179.01 179.30 1hdr h PHE 206 N 1.18 1.12 -0.38 4.33 3.57 -1.89 -0.28 116.94 124.58 1hdr h PHE 206 Ca 0.39 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.75 1hdr h PHE 206 Cb 0.05 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1hdr h PHE 206 CO -0.00 0.72 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.37 1hdr h LEU 207 N 1.19 0.95 -0.69 0.59 -0.00 -1.38 0.31 115.31 116.27 1hdr h LEU 207 Ca 0.32 -0.42 0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1hdr h LEU 207 Cb -0.10 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 40.25 1hdr h LEU 207 CO -0.06 1.20 0.43 0.58 -0.00 0.00 0.00 178.44 180.59 1hdr h VAL 208 N 0.74 1.07 0.05 1.22 2.07 -0.48 0.26 116.25 121.18 1hdr h VAL 208 Ca 0.07 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1hdr h VAL 208 Cb 0.94 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1hdr h VAL 208 CO 0.09 0.15 -0.02 -0.08 0.02 0.00 0.00 177.57 177.72 1hdr h GLU 209 N 0.83 -0.07 -0.44 1.57 4.81 -0.84 -1.25 114.58 119.19 1hdr h GLU 209 Ca 0.28 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 1hdr h GLU 209 Cb 0.05 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1hdr h GLU 209 CO -0.12 0.07 -0.02 1.15 -0.73 0.00 0.00 179.01 179.37 1hdr h THR 210 N -0.19 0.64 -0.90 0.32 2.02 -0.78 -0.29 112.91 113.74 1hdr h THR 210 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1hdr h THR 210 Cb 0.17 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1hdr h THR 210 CO 0.01 0.02 0.52 -0.26 0.37 0.00 0.00 175.52 176.18 1hdr h PHE 211 N 0.09 1.20 -0.04 3.16 0.04 -0.28 -0.70 116.94 120.41 1hdr h PHE 211 Ca 0.22 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.99 1hdr h PHE 211 Cb 0.32 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1hdr h PHE 211 CO -0.30 0.81 -0.06 1.25 -0.60 0.00 0.00 178.31 179.41 1hdr h HIS 212 N 1.24 -0.14 0.20 -0.55 -0.00 -0.26 -1.23 115.15 114.41 1hdr h HIS 212 Ca 0.32 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1hdr h HIS 212 Cb -0.02 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1hdr h HIS 212 CO 0.01 -0.09 -0.10 -0.44 -0.00 0.00 0.00 177.93 177.31 1hdr h ASP 213 N -0.08 -0.23 -1.00 3.26 3.32 -0.64 -0.78 116.42 120.27 1hdr h ASP 213 Ca 0.04 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1hdr h ASP 213 Cb 0.13 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.65 1hdr h ASP 213 CO -0.09 -0.11 0.63 -0.50 -1.72 0.00 0.00 179.24 177.45 1hdr h TRP 214 N -0.33 1.13 -0.53 4.55 6.55 -1.05 -0.58 115.95 125.69 1hdr h TRP 214 Ca -0.03 0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.72 1hdr h TRP 214 Cb 0.25 -0.36 -0.02 0.00 -0.86 0.00 0.00 29.16 28.18 1hdr h TRP 214 CO -0.05 0.41 -0.14 0.82 -1.05 0.00 0.00 178.44 178.44 1hdr h ILE 215 N 0.96 1.27 -0.57 1.49 2.04 -0.95 -3.14 117.51 118.60 1hdr h ILE 215 Ca 0.51 -1.30 -0.38 0.00 1.00 0.00 0.00 64.86 64.69 1hdr h ILE 215 Cb 0.56 1.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.47 1hdr h ILE 215 CO -0.29 0.46 0.48 0.35 0.00 0.00 0.00 178.15 179.16 1hdr n THR 216 N -4.13 2.84 0.00 -0.27 -2.24 -0.32 -4.06 114.28 106.09 1hdr n THR 216 Ca 0.01 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 1hdr n THR 216 Cb 0.42 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1hdr n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hdr n GLY 217 N 0.03 0.61 3.59 3.38 0.00 -1.15 -4.56 105.19 107.10 1hdr n GLY 217 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1hdr n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hdr s LYS 218 N 0.00 3.29 -1.48 1.61 2.20 -0.30 -3.48 119.74 121.59 1hdr s LYS 218 Ca 0.00 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1hdr s LYS 218 Cb 0.00 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1hdr s LYS 218 CO 0.00 -1.92 0.00 0.09 -0.36 0.00 0.00 175.35 173.16 1hdr n ASN 219 N 10.04 -4.92 -4.67 1.43 5.03 -1.26 -3.62 115.26 117.29 1hdr n ASN 219 Ca 0.18 0.06 -0.44 0.00 0.87 0.00 0.00 54.58 55.25 1hdr n ASN 219 Cb 0.49 -4.00 -0.04 0.00 -1.02 0.00 0.00 39.78 35.21 1hdr n ASN 219 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1hdr n ARG 220 N -2.58 2.64 -0.79 3.52 0.63 -1.23 -4.91 116.66 113.94 1hdr n ARG 220 Ca -0.19 0.97 -0.33 0.00 -0.92 0.00 0.00 57.85 57.37 1hdr n ARG 220 Cb 0.63 -2.87 0.12 0.00 0.45 0.00 0.00 32.46 30.79 1hdr n ARG 220 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1hdr n PRO 221 N 6.61 -0.42 -2.55 -0.14 -0.02 -1.26 -5.00 135.00 132.22 1hdr n PRO 221 Ca 0.20 -0.09 -0.34 0.00 -2.02 0.00 0.00 63.50 61.25 1hdr n PRO 221 Cb 0.36 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1hdr n PRO 221 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hdr s SER 222 N -1.95 6.40 0.27 2.55 1.04 -1.26 -4.98 113.70 115.78 1hdr s SER 222 Ca 0.56 1.94 -0.30 0.00 0.48 0.00 0.00 55.95 58.63 1hdr s SER 222 Cb -0.20 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.23 1hdr s SER 222 CO 0.68 -0.74 1.31 -0.24 0.98 0.00 0.00 173.24 175.23 1hdr n SER 223 N -0.86 2.51 0.00 7.02 2.88 -1.26 -1.96 113.62 121.95 1hdr n SER 223 Ca 0.09 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1hdr n SER 223 Cb 0.52 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1hdr n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hdr n GLY 224 N 1.59 1.02 3.77 0.46 0.00 0.79 -4.82 105.19 107.99 1hdr n GLY 224 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1hdr n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hdr s SER 225 N -3.05 6.33 -0.26 1.61 0.01 -0.83 -4.56 113.70 112.96 1hdr s SER 225 Ca 0.00 2.37 -0.04 0.00 1.31 0.00 0.00 55.95 59.59 1hdr s SER 225 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1hdr s SER 225 CO 0.00 -0.81 -0.01 -0.76 0.41 0.00 0.00 173.24 172.07 1hdr s LEU 226 N -2.72 3.34 -0.25 2.44 1.43 -1.26 -1.34 118.68 120.33 1hdr s LEU 226 Ca 0.60 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1hdr s LEU 226 Cb -0.31 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1hdr s LEU 226 CO 0.38 -0.13 0.12 -0.63 0.23 0.00 0.00 176.35 176.33 1hdr s ILE 227 N 1.41 4.87 0.20 -0.59 -1.09 -0.08 -0.85 121.20 125.07 1hdr s ILE 227 Ca 0.02 0.01 -0.26 0.00 -2.23 0.00 0.00 60.65 58.19 1hdr s ILE 227 Cb -0.16 -3.28 -0.08 0.00 -1.58 0.00 0.00 42.46 37.36 1hdr s ILE 227 CO -0.02 0.33 0.82 -1.10 -1.23 0.00 0.00 174.94 173.74 1hdr s GLN 228 N 1.37 4.60 -0.33 2.79 -0.21 0.02 0.26 119.66 128.16 1hdr s GLN 228 Ca 0.06 1.22 -0.01 0.00 0.02 0.00 0.00 55.36 56.65 1hdr s GLN 228 Cb -0.15 -3.19 0.08 0.00 1.00 0.00 0.00 33.01 30.75 1hdr s GLN 228 CO 0.06 0.52 0.05 0.08 -2.12 0.00 0.00 175.29 173.88 1hdr s VAL 229 N -1.23 2.87 -0.06 1.09 1.01 -0.89 -1.92 120.40 121.27 1hdr s VAL 229 Ca 0.39 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.66 1hdr s VAL 229 Cb -0.23 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1hdr s VAL 229 CO 0.27 -0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.17 1hdr s VAL 230 N 1.15 1.46 -0.28 2.92 1.01 -0.80 -4.01 120.40 121.85 1hdr s VAL 230 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1hdr s VAL 230 Cb -0.20 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 34.96 1hdr s VAL 230 CO -0.03 0.42 -0.06 -0.89 0.00 0.00 0.00 175.10 174.54 1hdr s THR 231 N 0.29 2.42 -0.17 3.92 2.01 -1.26 0.33 115.64 123.18 1hdr s THR 231 Ca -0.10 -1.66 -0.05 0.00 0.31 0.00 0.00 61.69 60.19 1hdr s THR 231 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1hdr s THR 231 CO 0.04 -0.13 -0.01 -0.89 -0.69 0.00 0.00 174.62 172.94 1hdr s THR 232 N 1.12 4.05 -1.49 -0.82 2.01 -0.08 -4.15 115.64 116.27 1hdr s THR 232 Ca -0.05 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 1hdr s THR 232 Cb -0.20 -2.80 0.06 0.00 0.01 0.00 0.00 72.50 69.57 1hdr s THR 232 CO -0.04 0.47 0.75 -0.62 -0.69 0.00 0.00 174.62 174.49 1hdr n GLU 233 N 3.73 -4.39 -0.43 4.92 1.02 -1.14 -1.49 120.64 122.86 1hdr n GLU 233 Ca -0.17 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1hdr n GLU 233 Cb 0.52 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1hdr n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hdr n GLY 234 N -1.68 1.61 3.54 0.62 0.00 -0.03 -5.01 105.19 104.24 1hdr n GLY 234 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1hdr n GLY 234 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hdr s ARG 235 N -0.10 3.79 -0.25 1.61 1.70 -0.55 -5.04 118.95 120.10 1hdr s ARG 235 Ca 0.00 -0.44 -0.07 0.00 -0.47 0.00 0.00 55.73 54.75 1hdr s ARG 235 Cb 0.00 -3.10 -0.03 0.00 -0.57 0.00 0.00 34.95 31.25 1hdr s ARG 235 CO 0.00 0.18 0.06 0.99 -1.08 0.00 0.00 175.30 175.45 1hdr s THR 236 N 0.59 4.20 0.20 4.99 2.01 -1.26 -0.90 115.64 125.47 1hdr s THR 236 Ca 0.01 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.84 1hdr s THR 236 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1hdr s THR 236 CO 0.02 0.34 0.25 -1.61 -0.69 0.00 0.00 174.62 172.93 1hdr s GLU 237 N 1.60 3.19 -0.14 4.92 2.02 0.15 -4.94 118.70 125.50 1hdr s GLU 237 Ca 0.06 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1hdr s GLU 237 Cb -0.15 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.31 1hdr s GLU 237 CO 0.03 0.46 -0.20 -0.51 0.02 0.00 0.00 175.26 175.06 1hdr s LEU 238 N -3.54 2.22 -0.19 1.80 1.43 -1.26 -1.91 118.68 117.24 1hdr s LEU 238 Ca 0.33 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1hdr s LEU 238 Cb -0.10 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.70 1hdr s LEU 238 CO 0.27 0.09 0.01 -0.89 0.23 0.00 0.00 176.35 176.05 1hdr s THR 239 N 0.79 0.70 0.29 5.49 2.01 -0.81 -4.93 115.64 119.18 1hdr s THR 239 Ca -0.07 -0.60 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 1hdr s THR 239 Cb -0.16 -1.12 -0.14 0.00 0.01 0.00 0.00 72.50 71.10 1hdr s THR 239 CO -0.01 -0.12 0.93 -2.65 -0.69 0.00 0.00 174.62 172.07 1hdr n PRO 240 N 4.99 1.14 -4.28 4.92 -0.02 -1.26 -0.80 135.00 139.70 1hdr n PRO 240 Ca -0.09 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.60 1hdr n PRO 240 Cb 0.47 -1.72 -0.11 0.00 -0.02 0.00 0.00 33.50 32.12 1hdr n PRO 240 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hdr s ALA 241 N -1.07 1.67 -0.04 3.55 0.00 -0.03 -4.82 121.76 121.01 1hdr s ALA 241 Ca 0.60 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1hdr s ALA 241 Cb -0.72 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1hdr s ALA 241 CO 0.59 0.09 -0.16 0.71 0.00 0.00 0.00 175.76 176.99 1hdr s TYR 242 N -2.46 1.61 -2.00 0.00 2.02 -1.26 -4.09 117.35 111.17 1hdr s TYR 242 Ca 0.14 -0.44 0.26 0.00 -0.37 0.00 0.00 57.07 56.66 1hdr s TYR 242 Cb -0.03 -1.08 1.56 0.00 -0.40 0.00 0.00 41.96 42.01 1hdr s TYR 242 CO 0.04 -0.14 1.91 0.34 -1.57 0.00 0.00 175.55 176.13