#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cwa s TYR 2 N 0.00 3.02 -0.01 3.17 2.02 -0.01 -4.86 117.35 120.68 3cwa s TYR 2 Ca 0.00 1.49 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 3cwa s TYR 2 Cb 0.00 -2.97 0.01 0.00 -0.40 0.00 0.00 41.96 38.60 3cwa s TYR 2 CO 0.00 -1.15 -0.03 0.95 -1.57 0.00 0.00 175.55 173.75 3cwa s THR 3 N -2.63 0.29 -0.03 -0.71 -4.23 -1.26 -0.75 115.64 106.32 3cwa s THR 3 Ca 0.62 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 61.06 3cwa s THR 3 Cb -0.15 -0.29 -0.00 0.00 1.34 0.00 0.00 72.50 73.40 3cwa s THR 3 CO 0.42 0.11 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.71 3cwa s LEU 4 N 0.24 1.90 0.39 4.79 1.43 -0.22 -4.95 118.68 122.26 3cwa s LEU 4 Ca -0.02 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3cwa s LEU 4 Cb -0.05 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 3cwa s LEU 4 CO -0.00 0.14 0.46 0.54 0.23 0.00 0.00 176.35 177.71 3cwa s ASN 5 N -0.02 5.56 0.21 2.29 2.20 -1.26 0.18 114.94 124.10 3cwa s ASN 5 Ca -0.01 -0.44 -0.04 0.00 -0.94 0.00 0.00 52.86 51.42 3cwa s ASN 5 Cb -0.09 -0.83 -0.03 0.00 -2.00 0.00 0.00 41.25 38.30 3cwa s ASN 5 CO 0.01 -0.60 0.22 -1.66 -2.94 0.00 0.00 177.10 172.13 3cwa s TRP 6 N -2.33 0.90 -0.27 1.54 -2.14 -0.94 -4.89 118.94 110.82 3cwa s TRP 6 Ca 0.49 -1.18 -0.11 0.00 2.66 0.00 0.00 56.10 57.97 3cwa s TRP 6 Cb -0.08 -0.34 -0.05 0.00 -3.10 0.00 0.00 33.47 29.90 3cwa s TRP 6 CO 0.30 -0.73 0.18 -1.14 -2.66 0.00 0.00 176.95 172.91 3cwa s GLN 7 N -4.11 4.00 0.71 3.25 2.00 -1.26 -4.85 119.66 119.40 3cwa s GLN 7 Ca 0.33 -0.30 -0.13 0.00 -2.00 0.00 0.00 55.36 53.27 3cwa s GLN 7 Cb 0.05 -3.62 0.03 0.00 0.80 0.00 0.00 33.01 30.27 3cwa s GLN 7 CO 0.10 -0.09 1.09 -2.14 -0.50 0.00 0.00 175.29 173.75 3cwa s PRO 8 N 1.51 2.58 0.29 1.67 0.02 -1.26 -4.52 135.00 135.29 3cwa s PRO 8 Ca 0.07 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.23 3cwa s PRO 8 Cb -0.15 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 3cwa s PRO 8 CO 0.09 -1.40 0.63 -1.25 -0.33 0.00 0.00 177.00 174.74 3cwa s PRO 9 N -4.55 3.83 -0.11 5.54 0.04 -1.26 -4.75 135.00 133.74 3cwa s PRO 9 Ca 0.63 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3cwa s PRO 9 Cb -0.18 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3cwa s PRO 9 CO 0.49 0.21 -0.09 -0.47 0.04 0.00 0.00 177.00 177.18 3cwa s TYR 10 N -1.97 1.56 -1.23 0.56 6.14 -1.26 -4.14 117.35 117.01 3cwa s TYR 10 Ca 0.49 -0.76 -0.14 0.00 0.64 0.00 0.00 57.07 57.30 3cwa s TYR 10 Cb -0.11 -1.25 0.16 0.00 0.42 0.00 0.00 41.96 41.18 3cwa s TYR 10 CO 0.23 -0.49 1.50 -3.47 0.64 0.00 0.00 175.55 173.95 3cwa n ASP 11 N 4.73 5.17 0.22 4.32 -0.08 -0.84 -4.83 116.55 125.24 3cwa n ASP 11 Ca -0.15 -2.98 0.07 0.00 -1.51 0.00 0.00 54.79 50.23 3cwa n ASP 11 Cb 0.50 -1.59 0.58 0.00 2.34 0.00 0.00 41.12 42.95 3cwa n ASP 11 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3cwa h TRP 12 N 7.12 0.06 -0.76 -0.67 4.06 -1.98 -1.87 115.95 121.91 3cwa h TRP 12 Ca 0.34 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.24 3cwa h TRP 12 Cb 0.86 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.97 3cwa h TRP 12 CO 1.15 0.08 0.27 0.77 -3.56 0.00 0.00 178.44 177.16 3cwa h SER 13 N 0.06 1.07 -0.11 -3.49 0.02 -1.92 0.12 113.55 109.30 3cwa h SER 13 Ca 0.02 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 3cwa h SER 13 Cb 0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3cwa h SER 13 CO 0.00 0.96 -0.30 -0.25 -1.14 0.00 0.00 176.83 176.11 3cwa h TRP 14 N 1.11 0.51 0.12 3.45 7.01 -1.84 -1.91 115.95 124.41 3cwa h TRP 14 Ca 0.25 -0.20 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 3cwa h TRP 14 Cb 0.25 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 3cwa h TRP 14 CO 0.02 0.91 -0.09 1.98 -2.79 0.00 0.00 178.44 178.47 3cwa h MET 15 N -0.04 -0.21 -0.15 2.65 4.05 -1.18 -0.25 114.93 119.81 3cwa h MET 15 Ca -0.01 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 3cwa h MET 15 Cb 0.91 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 3cwa h MET 15 CO 0.06 -0.14 -0.25 -0.07 0.23 0.00 0.00 176.91 176.74 3cwa h LEU 16 N -0.22 0.27 -0.32 3.39 3.38 -1.06 -1.42 115.31 119.32 3cwa h LEU 16 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3cwa h LEU 16 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3cwa h LEU 16 CO -0.00 0.53 -0.04 1.23 0.09 0.00 0.00 178.44 180.24 3cwa h GLY 17 N 0.98 0.64 0.92 0.83 0.00 -0.99 0.45 103.07 105.90 3cwa h GLY 17 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3cwa h GLY 17 CO 0.04 0.46 0.04 -2.75 0.00 0.00 0.00 176.54 174.33 3cwa h PHE 18 N 0.38 0.09 -0.21 5.60 3.04 -0.81 -1.76 116.94 123.27 3cwa h PHE 18 Ca 0.09 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 3cwa h PHE 18 Cb 0.51 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 3cwa h PHE 18 CO 0.04 0.15 -0.26 -0.07 -2.02 0.00 0.00 178.31 176.15 3cwa h LEU 19 N 0.01 0.40 -0.94 0.59 3.38 -1.18 -2.99 115.31 114.58 3cwa h LEU 19 Ca 0.02 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3cwa h LEU 19 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3cwa h LEU 19 CO -0.00 0.66 0.02 0.00 0.09 0.00 0.00 178.44 179.21 3cwa h ALA 20 N 1.37 1.12 -0.06 1.53 0.00 0.28 -1.23 119.26 122.28 3cwa h ALA 20 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3cwa h ALA 20 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3cwa h ALA 20 CO 0.05 0.57 -0.46 0.00 0.00 0.00 0.00 179.25 179.41 3cwa h ALA 21 N 1.27 1.13 -0.59 0.00 0.00 -1.19 -3.00 119.26 116.89 3cwa h ALA 21 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cwa h ALA 21 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cwa h ALA 21 CO 0.02 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.41 3cwa n ARG 22 N -3.99 2.54 -1.89 0.00 1.74 -1.04 -4.66 116.66 109.36 3cwa n ARG 22 Ca -0.02 -2.37 -0.39 0.00 -0.77 0.00 0.00 57.85 54.31 3cwa n ARG 22 Cb 0.50 -1.52 0.02 0.00 -1.02 0.00 0.00 32.46 30.44 3cwa n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cwa s ALA 23 N -1.22 3.02 -0.32 7.54 0.00 -0.49 -4.80 121.76 125.49 3cwa s ALA 23 Ca 0.44 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 3cwa s ALA 23 Cb 0.23 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3cwa s ALA 23 CO 0.31 -1.15 0.10 0.08 0.00 0.00 0.00 175.76 175.10 3cwa s VAL 24 N -1.30 3.91 0.06 0.00 1.01 -1.26 -4.83 120.40 117.98 3cwa s VAL 24 Ca 0.65 -0.91 -0.37 0.00 0.00 0.00 0.00 61.98 61.35 3cwa s VAL 24 Cb -0.39 -3.12 -0.19 0.00 0.00 0.00 0.00 36.38 32.68 3cwa s VAL 24 CO 0.49 -0.06 1.04 -1.20 0.00 0.00 0.00 175.10 175.37 3cwa n SER 25 N 4.85 0.18 0.00 3.32 7.64 -1.26 -0.18 113.62 128.17 3cwa n SER 25 Ca -0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3cwa n SER 25 Cb 0.46 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 3cwa n SER 25 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3cwa n SER 26 N 1.76 0.00 -0.14 6.43 7.64 -1.26 -4.69 113.62 123.36 3cwa n SER 26 Ca 0.19 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.80 3cwa n SER 26 Cb 0.13 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 3cwa n SER 26 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3cwa n VAL 27 N -1.96 1.50 -4.36 0.44 0.31 0.74 0.04 118.33 115.04 3cwa n VAL 27 Ca 0.00 -0.42 -0.19 0.00 -0.01 0.00 0.00 64.34 63.71 3cwa n VAL 27 Cb 0.00 -1.77 -0.10 0.00 -0.91 0.00 0.00 33.84 31.06 3cwa n VAL 27 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cwa s GLU 28 N -2.50 1.38 -0.05 5.55 2.02 -0.31 -1.66 118.70 123.14 3cwa s GLU 28 Ca -0.38 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 52.99 3cwa s GLU 28 Cb 0.13 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 33.17 3cwa s GLU 28 CO 0.51 0.21 0.05 0.99 0.02 0.00 0.00 175.26 177.03 3cwa s THR 29 N -2.86 -0.00 -0.14 3.63 2.01 0.51 -4.60 115.64 114.20 3cwa s THR 29 Ca 0.23 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3cwa s THR 29 Cb -0.02 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.29 3cwa s THR 29 CO 0.08 0.19 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.38 3cwa s VAL 30 N 2.08 1.46 0.46 3.82 1.01 -1.26 -1.62 120.40 126.36 3cwa s VAL 30 Ca 0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3cwa s VAL 30 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3cwa s VAL 30 CO -0.03 0.44 0.08 0.00 0.00 0.00 0.00 175.10 175.58 3cwa n ALA 31 N 4.75 0.47 0.18 5.51 0.00 -0.48 -4.96 120.51 125.97 3cwa n ALA 31 Ca -0.16 -2.04 0.03 0.00 0.00 0.00 0.00 53.44 51.27 3cwa n ALA 31 Cb 0.50 1.06 0.41 0.00 0.00 0.00 0.00 19.45 21.42 3cwa n ALA 31 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cwa h ASP 32 N 0.99 0.08 -0.00 0.00 3.45 -2.00 -3.28 116.42 115.66 3cwa h ASP 32 Ca -0.37 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.08 3cwa h ASP 32 Cb 1.14 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3cwa h ASP 32 CO 0.60 0.32 -0.16 -1.54 -1.57 0.00 0.00 179.24 176.89 3cwa n SER 33 N -4.22 0.77 -3.70 6.45 3.41 -1.26 -4.95 113.62 110.13 3cwa n SER 33 Ca -0.02 -0.89 -0.10 0.00 -0.26 0.00 0.00 58.87 57.61 3cwa n SER 33 Cb 0.31 0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 3cwa n SER 33 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3cwa s TYR 34 N -1.13 -0.12 -0.02 7.33 1.13 -1.24 -3.84 117.35 119.46 3cwa s TYR 34 Ca 0.04 -0.21 0.05 0.00 -1.41 0.00 0.00 57.07 55.55 3cwa s TYR 34 Cb 0.05 0.28 -0.01 0.00 -1.10 0.00 0.00 41.96 41.17 3cwa s TYR 34 CO 0.17 -0.78 -0.18 -0.47 -2.51 0.00 0.00 175.55 171.79 3cwa s TYR 35 N -3.84 1.63 -0.10 -3.49 5.04 -0.52 -1.38 117.35 114.69 3cwa s TYR 35 Ca 0.06 -0.35 -0.17 0.00 -2.44 0.00 0.00 57.07 54.18 3cwa s TYR 35 Cb 0.01 -1.06 0.04 0.00 0.35 0.00 0.00 41.96 41.30 3cwa s TYR 35 CO -0.08 -0.06 0.42 0.00 -1.34 0.00 0.00 175.55 174.49 3cwa s ALA 36 N -0.32 -1.05 0.28 3.97 0.00 -0.64 0.26 121.76 124.26 3cwa s ALA 36 Ca 0.05 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 3cwa s ALA 36 Cb -0.08 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3cwa s ALA 36 CO -0.00 -0.24 0.73 -0.98 0.00 0.00 0.00 175.76 175.27 3cwa s ARG 37 N -0.47 1.81 0.57 0.00 1.70 -0.55 -0.36 118.95 121.65 3cwa s ARG 37 Ca -0.06 -1.01 -0.16 0.00 -0.47 0.00 0.00 55.73 54.03 3cwa s ARG 37 Cb -0.03 0.61 -0.05 0.00 -0.57 0.00 0.00 34.95 34.90 3cwa s ARG 37 CO 0.03 -0.83 1.03 -1.54 -1.08 0.00 0.00 175.30 172.91 3cwa s SER 38 N -2.93 6.11 -0.19 -2.89 1.04 -0.66 -0.64 113.70 113.55 3cwa s SER 38 Ca 0.11 1.70 -0.10 0.00 0.48 0.00 0.00 55.95 58.14 3cwa s SER 38 Cb -0.06 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.61 3cwa s SER 38 CO 0.07 -0.94 0.45 -0.22 0.98 0.00 0.00 173.24 173.58 3cwa s LEU 39 N -4.40 -0.23 -0.06 2.42 2.96 -0.24 -4.83 118.68 114.29 3cwa s LEU 39 Ca 0.61 0.98 0.05 0.00 -0.22 0.00 0.00 54.13 55.55 3cwa s LEU 39 Cb -0.13 1.48 -0.01 0.00 0.50 0.00 0.00 46.19 48.03 3cwa s LEU 39 CO 0.36 -0.20 -0.22 0.00 -1.32 0.00 0.00 176.35 174.97 3cwa s ALA 40 N 1.51 1.98 -0.33 5.97 0.00 -1.26 -2.19 121.76 127.43 3cwa s ALA 40 Ca -0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3cwa s ALA 40 Cb -0.08 -0.66 0.11 0.00 0.00 0.00 0.00 23.12 22.49 3cwa s ALA 40 CO -0.14 0.35 0.14 0.08 0.00 0.00 0.00 175.76 176.19 3cwa s VAL 41 N 0.02 0.60 0.00 0.00 1.01 -0.11 -5.00 120.40 116.91 3cwa s VAL 41 Ca -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3cwa s VAL 41 Cb -0.14 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3cwa s VAL 41 CO 0.04 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.99 3cwa n GLY 42 N 4.65 1.41 0.77 4.51 0.00 -1.26 -1.96 105.19 113.30 3cwa n GLY 42 Ca 0.01 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3cwa n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cwa n GLU 43 N 12.70 2.03 -2.91 1.61 -0.58 -1.26 -4.86 120.64 127.36 3cwa n GLU 43 Ca 0.00 -1.53 -0.41 0.00 -0.42 0.00 0.00 57.16 54.80 3cwa n GLU 43 Cb 0.00 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 3cwa n GLU 43 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3cwa s TYR 44 N -1.79 3.62 0.04 -0.32 2.02 -0.83 -5.04 117.35 115.05 3cwa s TYR 44 Ca 0.34 1.43 0.01 0.00 -0.37 0.00 0.00 57.07 58.48 3cwa s TYR 44 Cb 0.20 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 3cwa s TYR 44 CO 0.30 0.06 -0.05 1.03 -1.57 0.00 0.00 175.55 175.32 3cwa s ARG 45 N 0.82 0.47 0.00 -0.62 0.52 -1.24 -0.94 118.95 117.97 3cwa s ARG 45 Ca 0.43 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3cwa s ARG 45 Cb -0.19 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.25 3cwa s ARG 45 CO 0.22 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.93 3cwa n GLY 46 N 1.16 -0.61 3.36 -3.53 0.00 -0.93 -3.67 105.19 100.97 3cwa n GLY 46 Ca -0.21 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3cwa n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cwa s VAL 47 N -3.00 2.26 -0.08 1.61 1.01 -1.26 -1.08 120.40 119.85 3cwa s VAL 47 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.71 3cwa s VAL 47 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3cwa s VAL 47 CO 0.00 0.40 -0.16 -0.69 0.00 0.00 0.00 175.10 174.65 3cwa s VAL 48 N -0.79 2.87 -0.07 2.92 1.01 0.19 -1.45 120.40 125.08 3cwa s VAL 48 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3cwa s VAL 48 Cb -0.10 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3cwa s VAL 48 CO 0.02 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.65 3cwa s THR 49 N -0.24 1.32 -0.14 3.92 2.01 -0.41 -1.48 115.64 120.61 3cwa s THR 49 Ca 0.01 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3cwa s THR 49 Cb -0.13 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.21 3cwa s THR 49 CO 0.03 0.40 -0.17 0.00 -0.69 0.00 0.00 174.62 174.18 3cwa s ALA 50 N 0.54 2.00 -0.23 7.40 0.00 0.14 -0.10 121.76 131.51 3cwa s ALA 50 Ca -0.14 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3cwa s ALA 50 Cb -0.16 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.00 3cwa s ALA 50 CO 0.05 -0.21 -0.14 0.42 0.00 0.00 0.00 175.76 175.87 3cwa s ILE 51 N 1.16 2.11 -0.16 0.00 1.01 0.37 -1.44 121.20 124.25 3cwa s ILE 51 Ca -0.01 -1.38 -0.28 0.00 0.00 0.00 0.00 60.65 58.98 3cwa s ILE 51 Cb -0.14 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3cwa s ILE 51 CO -0.07 0.16 0.94 -2.16 0.00 0.00 0.00 174.94 173.82 3cwa s PRO 52 N 1.18 4.34 -0.64 2.79 0.04 -1.25 0.55 135.00 142.00 3cwa s PRO 52 Ca -0.04 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 3cwa s PRO 52 Cb -0.18 -3.57 0.16 0.00 0.04 0.00 0.00 34.50 30.95 3cwa s PRO 52 CO -0.08 -0.38 0.53 0.34 0.04 0.00 0.00 177.00 177.45 3cwa s ASP 53 N 1.14 6.03 0.13 6.66 2.15 -0.11 -4.95 116.67 127.73 3cwa s ASP 53 Ca 0.43 -2.38 -0.24 0.00 0.43 0.00 0.00 52.55 50.80 3cwa s ASP 53 Cb -0.17 -2.07 -0.02 0.00 -0.30 0.00 0.00 42.92 40.36 3cwa s ASP 53 CO 0.13 -0.60 1.64 0.40 -0.17 0.00 0.00 175.17 176.57 3cwa h ILE 54 N 5.45 0.44 -0.97 4.11 1.08 -1.95 -1.12 117.51 124.55 3cwa h ILE 54 Ca -0.07 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.50 3cwa h ILE 54 Cb 1.04 0.44 -0.13 0.00 -3.07 0.00 0.00 36.82 35.11 3cwa h ILE 54 CO 0.82 0.00 -0.53 0.00 -0.69 0.00 0.00 178.15 177.75 3cwa n ALA 55 N -2.69 -0.50 -0.66 1.87 0.00 -1.26 0.02 120.51 117.28 3cwa n ALA 55 Ca -0.03 0.85 -0.05 0.00 0.00 0.00 0.00 53.44 54.21 3cwa n ALA 55 Cb 0.27 -0.20 0.25 0.00 0.00 0.00 0.00 19.45 19.77 3cwa n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cwa n ARG 56 N -5.26 3.23 -3.54 0.00 1.74 -1.10 -4.94 116.66 106.79 3cwa n ARG 56 Ca 0.04 -2.51 -0.13 0.00 -0.77 0.00 0.00 57.85 54.47 3cwa n ARG 56 Cb 0.28 -2.05 -0.01 0.00 -1.02 0.00 0.00 32.46 29.66 3cwa n ARG 56 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3cwa n HIS 57 N -0.08 -0.43 -4.32 -1.55 1.44 0.10 -4.89 115.22 105.49 3cwa n HIS 57 Ca 0.34 0.09 -0.17 0.00 -2.01 0.00 0.00 57.72 55.97 3cwa n HIS 57 Cb 1.21 -0.90 -0.10 0.00 0.12 0.00 0.00 29.99 30.32 3cwa n HIS 57 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 3cwa s THR 58 N -4.09 1.06 -0.13 0.61 -1.32 -0.90 -2.22 115.64 108.66 3cwa s THR 58 Ca 0.10 -2.04 0.01 0.00 -1.21 0.00 0.00 61.69 58.54 3cwa s THR 58 Cb -0.05 -2.28 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 3cwa s THR 58 CO 0.32 -0.38 -0.13 -0.22 -2.21 0.00 0.00 174.62 172.01 3cwa s LEU 59 N -3.29 1.57 -0.24 9.08 2.96 0.49 -0.93 118.68 128.32 3cwa s LEU 59 Ca 0.27 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 3cwa s LEU 59 Cb 0.05 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 3cwa s LEU 59 CO 0.08 -0.05 0.42 -1.00 -1.32 0.00 0.00 176.35 174.48 3cwa s HIS 60 N 1.38 3.30 -0.18 5.38 3.76 0.19 -1.06 115.29 128.07 3cwa s HIS 60 Ca 0.01 0.56 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 3cwa s HIS 60 Cb -0.13 -2.60 -0.01 0.00 1.11 0.00 0.00 32.58 30.95 3cwa s HIS 60 CO -0.07 -0.16 -0.10 0.42 -0.85 0.00 0.00 174.74 173.98 3cwa s ILE 61 N 1.84 3.02 -0.03 0.60 -1.09 0.07 0.14 121.20 125.76 3cwa s ILE 61 Ca 0.18 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 3cwa s ILE 61 Cb -0.15 -2.32 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3cwa s ILE 61 CO 0.09 0.48 -0.10 0.21 -1.23 0.00 0.00 174.94 174.39 3cwa s ASN 62 N 0.99 4.36 -0.10 3.58 2.47 0.86 -0.83 114.94 126.26 3cwa s ASN 62 Ca -0.01 -0.16 0.01 0.00 0.42 0.00 0.00 52.86 53.12 3cwa s ASN 62 Cb -0.15 -0.98 0.02 0.00 -1.45 0.00 0.00 41.25 38.69 3cwa s ASN 62 CO -0.01 0.32 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.80 3cwa s LEU 63 N -1.07 1.60 0.50 3.21 1.43 -1.26 -1.29 118.68 121.79 3cwa s LEU 63 Ca 0.14 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 3cwa s LEU 63 Cb -0.11 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.05 3cwa s LEU 63 CO 0.04 -0.01 0.98 -0.24 0.23 0.00 0.00 176.35 177.35 3cwa n SER 64 N 4.26 1.03 -0.35 2.29 2.88 -0.53 -4.77 113.62 118.44 3cwa n SER 64 Ca -0.19 0.94 0.28 0.00 -1.33 0.00 0.00 58.87 58.57 3cwa n SER 64 Cb 0.51 -1.37 0.60 0.00 -0.75 0.00 0.00 64.21 63.20 3cwa n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cwa h ALA 65 N 1.12 2.55 -0.02 -1.46 0.00 -1.91 -0.47 119.26 119.08 3cwa h ALA 65 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3cwa h ALA 65 Cb 1.35 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3cwa h ALA 65 CO 0.54 -0.98 0.02 0.78 0.00 0.00 0.00 179.25 179.61 3cwa h GLY 66 N 0.24 0.00 -0.58 0.00 0.00 -1.88 -2.54 103.07 98.31 3cwa h GLY 66 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.96 3cwa h GLY 66 CO -0.24 0.00 -0.62 1.04 0.00 0.00 0.00 176.54 176.72 3cwa n LEU 67 N -4.01 1.63 -0.28 3.11 4.77 -0.19 -3.66 117.00 118.37 3cwa n LEU 67 Ca -0.03 -0.64 0.08 0.00 -0.03 0.00 0.00 56.01 55.40 3cwa n LEU 67 Cb 0.10 -0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.41 3cwa n LEU 67 CO 0.29 0.32 1.06 -0.08 -1.33 0.00 0.00 177.39 177.65 3cwa h GLU 68 N 1.59 0.49 0.00 3.23 4.57 -1.44 0.43 114.58 123.44 3cwa h GLU 68 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3cwa h GLU 68 Cb 0.66 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3cwa h GLU 68 CO 0.00 0.33 0.00 -1.35 -1.18 0.00 0.00 179.01 176.81 3cwa h PRO 69 N 0.51 0.00 -0.29 0.92 0.11 -1.79 -2.24 132.00 129.21 3cwa h PRO 69 Ca 0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.35 3cwa h PRO 69 Cb 0.73 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.61 3cwa h PRO 69 CO -0.42 0.00 -0.75 1.33 -0.21 0.00 0.00 178.00 177.96 3cwa n VAL 70 N -2.40 1.91 -0.25 3.15 0.24 0.10 -4.91 118.33 116.17 3cwa n VAL 70 Ca -0.01 -3.22 -0.05 0.00 -2.04 0.00 0.00 64.34 59.02 3cwa n VAL 70 Cb 0.07 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 3cwa n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cwa h ALA 71 N 1.56 -0.06 -0.33 2.33 0.00 -0.99 -1.99 119.26 119.77 3cwa h ALA 71 Ca 0.07 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3cwa h ALA 71 Cb 1.33 0.88 -0.07 0.00 0.00 0.00 0.00 17.79 19.93 3cwa h ALA 71 CO 0.28 -0.70 -0.10 0.00 0.00 0.00 0.00 179.25 178.73 3cwa h ALA 72 N 1.00 0.20 -0.67 0.00 0.00 -1.90 0.67 119.26 118.55 3cwa h ALA 72 Ca 0.25 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.40 3cwa h ALA 72 Cb 0.56 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3cwa h ALA 72 CO -0.75 -0.47 0.26 0.93 0.00 0.00 0.00 179.25 179.22 3cwa h GLU 73 N -0.02 0.42 -0.71 0.00 4.39 -1.79 0.31 114.58 117.19 3cwa h GLU 73 Ca 0.16 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 3cwa h GLU 73 Cb 0.27 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3cwa h GLU 73 CO -0.36 0.28 0.23 0.00 -1.16 0.00 0.00 179.01 178.01 3cwa h LEU 75 N 1.04 0.47 -1.06 0.00 3.38 0.99 -0.37 115.31 119.76 3cwa h LEU 75 Ca 0.23 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3cwa h LEU 75 Cb 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3cwa h LEU 75 CO -0.01 0.44 -0.05 0.00 0.09 0.00 0.00 178.44 178.91 3cwa h ALA 76 N 1.05 1.22 -0.23 1.53 0.00 -0.16 -0.59 119.26 122.08 3cwa h ALA 76 Ca 0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3cwa h ALA 76 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3cwa h ALA 76 CO -0.02 0.51 -0.33 0.87 0.00 0.00 0.00 179.25 180.28 3cwa h LYS 77 N 0.57 0.48 -0.36 0.00 1.57 -0.51 -1.69 116.57 116.62 3cwa h LYS 77 Ca 0.11 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 3cwa h LYS 77 Cb 0.44 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3cwa h LYS 77 CO 0.02 0.75 -0.42 0.52 -0.57 0.00 0.00 179.45 179.75 3cwa h MET 78 N 0.41 0.92 -0.14 3.15 2.86 -0.39 -2.02 114.93 119.73 3cwa h MET 78 Ca 0.05 -0.51 -0.06 0.00 -2.06 0.00 0.00 59.70 57.12 3cwa h MET 78 Cb 0.78 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3cwa h MET 78 CO 0.06 1.16 -0.18 0.66 1.06 0.00 0.00 176.91 179.68 3cwa h SER 79 N 0.74 0.22 0.38 1.22 4.64 -0.91 -0.95 113.55 118.88 3cwa h SER 79 Ca 0.05 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3cwa h SER 79 Cb 1.02 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3cwa h SER 79 CO 0.10 0.42 -0.93 0.03 -0.87 0.00 0.00 176.83 175.58 3cwa h ARG 80 N 0.21 0.37 -0.43 4.77 3.08 -1.21 -1.37 114.38 119.81 3cwa h ARG 80 Ca 0.04 -0.40 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 3cwa h ARG 80 Cb 0.45 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3cwa h ARG 80 CO 0.03 1.08 -0.13 1.25 -1.07 0.00 0.00 179.97 181.13 3cwa h LEU 81 N 0.21 0.77 -2.46 3.04 5.85 -0.90 -3.23 115.31 118.59 3cwa h LEU 81 Ca -0.07 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3cwa h LEU 81 Cb 1.57 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3cwa h LEU 81 CO 0.16 0.91 0.00 0.49 -0.34 0.00 0.00 178.44 179.66 3cwa n PHE 82 N -4.16 0.64 -4.00 1.25 3.72 -0.40 -1.09 117.46 113.42 3cwa n PHE 82 Ca 0.01 -0.33 -0.26 0.00 -0.05 0.00 0.00 57.45 56.82 3cwa n PHE 82 Cb 0.37 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3cwa n PHE 82 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3cwa n ASP 83 N 1.53 -0.29 0.29 4.37 2.03 -0.55 -4.85 116.55 119.09 3cwa n ASP 83 Ca 0.21 -1.03 0.18 0.00 0.52 0.00 0.00 54.79 54.66 3cwa n ASP 83 Cb 0.61 -2.91 0.81 0.00 -0.72 0.00 0.00 41.12 38.91 3cwa n ASP 83 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3cwa h LEU 84 N -1.82 0.00 -0.74 -2.67 3.38 -1.82 -2.74 115.31 108.90 3cwa h LEU 84 Ca -0.63 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 3cwa h LEU 84 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3cwa h LEU 84 CO 0.64 0.02 -0.02 0.06 0.09 0.00 0.00 178.44 179.23 3cwa h GLN 85 N 0.00 0.00 -6.50 1.13 -0.00 -1.89 -3.40 115.11 104.45 3cwa h GLN 85 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 3cwa h GLN 85 Cb 0.39 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 27.96 3cwa h GLN 85 CO 0.00 0.02 0.43 0.00 -0.00 0.00 0.00 178.83 179.28 3cwa s ASN 87 N 0.03 5.71 0.54 0.00 3.84 -1.26 -4.54 114.94 119.26 3cwa s ASN 87 Ca 0.67 -2.60 0.29 0.00 0.21 0.00 0.00 52.86 51.43 3cwa s ASN 87 Cb -0.71 -1.97 1.45 0.00 -0.55 0.00 0.00 41.25 39.46 3cwa s ASN 87 CO 0.53 -0.49 1.93 1.55 -2.79 0.00 0.00 177.10 177.83 3cwa h PRO 88 N 7.53 0.00 -0.56 0.43 0.13 -1.85 -0.78 132.00 136.89 3cwa h PRO 88 Ca -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 3cwa h PRO 88 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3cwa h PRO 88 CO 0.75 0.00 0.09 1.96 -0.23 0.00 0.00 178.00 180.57 3cwa h GLN 89 N 0.00 0.90 -0.13 0.86 4.20 -1.92 0.07 115.11 119.09 3cwa h GLN 89 Ca 0.35 -0.21 -0.21 0.00 0.06 0.00 0.00 58.65 58.63 3cwa h GLN 89 Cb 1.41 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.09 3cwa h GLN 89 CO -0.00 0.84 -0.75 0.82 -0.67 0.00 0.00 178.83 179.06 3cwa h ILE 90 N 0.85 1.29 0.31 2.54 2.04 -1.57 -1.95 117.51 121.02 3cwa h ILE 90 Ca 0.18 -1.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 3cwa h ILE 90 Cb 0.38 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3cwa h ILE 90 CO 0.01 0.62 -0.15 0.58 0.00 0.00 0.00 178.15 179.21 3cwa h VAL 91 N 0.44 0.20 -0.22 1.67 2.07 -1.45 -1.80 116.25 117.17 3cwa h VAL 91 Ca -0.06 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3cwa h VAL 91 Cb 1.39 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3cwa h VAL 91 CO 0.16 0.05 0.27 0.78 0.02 0.00 0.00 177.57 178.85 3cwa h ASN 92 N -1.07 0.00 0.01 0.57 2.35 -1.12 -0.06 115.58 116.26 3cwa h ASN 92 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3cwa h ASN 92 Cb 0.40 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.78 3cwa h ASN 92 CO 0.07 0.00 -0.25 1.23 -1.65 0.00 0.00 177.43 176.83 3cwa h GLY 93 N 0.00 0.17 1.12 2.83 0.00 -1.33 -2.70 103.07 103.16 3cwa h GLY 93 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3cwa h GLY 93 CO -0.00 0.28 0.00 0.00 0.00 0.00 0.00 176.54 176.81 3cwa n ALA 94 N -2.55 2.39 0.11 3.60 0.00 -0.30 -3.35 120.51 120.41 3cwa n ALA 94 Ca -0.10 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.23 3cwa n ALA 94 Cb 0.52 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 3cwa n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cwa n LEU 95 N -1.06 0.11 0.00 0.00 4.77 -0.19 -4.94 117.00 115.69 3cwa n LEU 95 Ca 0.17 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3cwa n LEU 95 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3cwa n LEU 95 CO 0.15 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3cwa n GLY 96 N 1.78 3.21 0.25 -0.72 0.00 -1.02 -3.30 105.19 105.39 3cwa n GLY 96 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 3cwa n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cwa h ARG 97 N 0.00 0.70 -0.97 1.61 -0.00 -1.95 -2.94 114.38 110.83 3cwa h ARG 97 Ca 0.00 -0.04 0.29 0.00 -0.00 0.00 0.00 59.98 60.23 3cwa h ARG 97 Cb 0.00 -0.16 -0.14 0.00 -0.00 0.00 0.00 29.97 29.67 3cwa h ARG 97 CO 0.00 0.46 0.49 1.25 -0.00 0.00 0.00 179.97 182.17 3cwa h LEU 98 N 0.72 0.41 -5.97 0.08 5.85 -1.96 -1.61 115.31 112.82 3cwa h LEU 98 Ca 0.27 0.19 -0.65 0.00 0.84 0.00 0.00 57.88 58.52 3cwa h LEU 98 Cb 0.09 0.16 -0.38 0.00 0.37 0.00 0.00 40.66 40.89 3cwa h LEU 98 CO -0.14 -0.11 -0.22 0.61 -0.34 0.00 0.00 178.44 178.25 3cwa n GLY 99 N -1.31 5.33 0.00 3.75 0.00 -1.11 -4.60 105.19 107.24 3cwa n GLY 99 Ca 0.28 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.56 3cwa n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwa n ALA 100 N 0.40 1.75 0.82 4.61 0.00 -0.61 -4.48 120.51 123.01 3cwa n ALA 100 Ca 0.32 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.86 3cwa n ALA 100 Cb 0.37 0.19 0.47 0.00 0.00 0.00 0.00 19.45 20.48 3cwa n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cwa n ALA 101 N -1.63 2.00 -2.72 0.00 0.00 -1.26 -4.21 120.51 112.69 3cwa n ALA 101 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 3cwa n ALA 101 Cb 0.37 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.54 3cwa n ALA 101 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3cwa n ARG 102 N -1.41 0.46 0.00 0.00 1.85 -1.26 -5.01 116.66 111.29 3cwa n ARG 102 Ca 0.07 -1.34 0.08 0.00 -1.00 0.00 0.00 57.85 55.66 3cwa n ARG 102 Cb 0.21 -0.90 0.46 0.00 -1.05 0.00 0.00 32.46 31.18 3cwa n ARG 102 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3cwa n PRO 103 N 1.92 0.43 0.00 2.89 -0.04 -1.26 -2.10 135.00 136.84 3cwa n PRO 103 Ca 0.08 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3cwa n PRO 103 Cb 0.65 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.91 3cwa n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cwa n GLY 104 N 0.02 -0.03 3.65 0.55 0.00 -1.26 -4.70 105.19 103.42 3cwa n GLY 104 Ca 0.11 -0.51 -0.52 0.00 0.00 0.00 0.00 46.02 45.10 3cwa n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cwa n LEU 105 N 0.05 2.41 -4.35 0.99 -0.00 -0.89 -1.99 117.00 113.22 3cwa n LEU 105 Ca 0.14 1.08 -0.24 0.00 -0.00 0.00 0.00 56.01 56.99 3cwa n LEU 105 Cb 0.42 -1.26 -0.12 0.00 -0.00 0.00 0.00 43.42 42.46 3cwa n LEU 105 CO 0.22 -0.58 -0.51 -0.13 -0.00 0.00 0.00 177.39 176.39 3cwa s ARG 106 N 1.88 1.31 -0.34 1.96 1.81 -1.26 -4.96 118.95 119.35 3cwa s ARG 106 Ca 0.88 -1.37 -0.28 0.00 -1.72 0.00 0.00 55.73 53.24 3cwa s ARG 106 Cb -0.88 -1.53 0.02 0.00 -0.45 0.00 0.00 34.95 32.10 3cwa s ARG 106 CO 0.50 0.33 1.02 -1.17 -0.68 0.00 0.00 175.30 175.31 3cwa s LEU 107 N -2.43 3.94 -0.13 2.53 2.96 -1.26 -4.98 118.68 119.31 3cwa s LEU 107 Ca 0.15 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 54.65 3cwa s LEU 107 Cb -0.08 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 3cwa s LEU 107 CO 0.07 -0.87 1.41 -2.84 -1.32 0.00 0.00 176.35 172.79 3cwa s PRO 108 N 3.60 4.21 0.00 0.98 0.02 -1.26 -4.24 135.00 138.31 3cwa s PRO 108 Ca 0.43 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3cwa s PRO 108 Cb -0.12 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.55 3cwa s PRO 108 CO 0.17 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 3cwa n GLY 109 N 3.82 1.47 3.32 0.52 0.00 -0.25 -4.64 105.19 109.42 3cwa n GLY 109 Ca 0.15 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 3cwa n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwa n VAL 111 N -0.21 0.10 -3.67 0.00 3.14 -1.26 -3.83 118.33 112.60 3cwa n VAL 111 Ca -0.06 -0.26 -0.08 0.00 -2.96 0.00 0.00 64.34 60.98 3cwa n VAL 111 Cb 0.63 0.33 -0.09 0.00 -1.06 0.00 0.00 33.84 33.66 3cwa n VAL 111 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cwa s ASP 112 N -3.89 -0.67 0.23 6.55 2.15 -1.26 -4.91 116.67 114.88 3cwa s ASP 112 Ca 0.02 1.17 -0.08 0.00 0.43 0.00 0.00 52.55 54.09 3cwa s ASP 112 Cb 0.15 1.21 0.24 0.00 -0.30 0.00 0.00 42.92 44.21 3cwa s ASP 112 CO 0.85 -0.22 1.89 0.00 -0.17 0.00 0.00 175.17 177.52 3cwa h ALA 113 N 7.35 1.12 -0.36 3.66 0.00 -1.83 -1.18 119.26 128.01 3cwa h ALA 113 Ca -0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3cwa h ALA 113 Cb 1.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3cwa h ALA 113 CO 0.21 0.44 0.16 0.35 0.00 0.00 0.00 179.25 180.40 3cwa h PHE 114 N 1.12 0.54 -0.36 0.00 3.57 -1.94 0.22 116.94 120.08 3cwa h PHE 114 Ca 0.33 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.85 3cwa h PHE 114 Cb -0.05 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 3cwa h PHE 114 CO -0.02 0.48 0.07 1.49 -2.23 0.00 0.00 178.31 178.11 3cwa h GLU 115 N 0.44 0.19 -0.15 1.11 4.81 -1.81 0.27 114.58 119.44 3cwa h GLU 115 Ca 0.12 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3cwa h GLU 115 Cb 0.16 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3cwa h GLU 115 CO -0.01 0.13 -0.02 0.37 -0.73 0.00 0.00 179.01 178.74 3cwa h GLN 116 N 0.20 0.22 -0.32 1.92 5.75 -0.85 0.16 115.11 122.19 3cwa h GLN 116 Ca 0.17 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3cwa h GLN 116 Cb 0.19 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 3cwa h GLN 116 CO -0.22 0.26 0.09 0.78 -2.65 0.00 0.00 178.83 177.09 3cwa h GLY 117 N 0.51 0.55 0.95 2.39 0.00 0.25 0.28 103.07 107.99 3cwa h GLY 117 Ca 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3cwa h GLY 117 CO 0.01 0.31 0.13 -2.08 0.00 0.00 0.00 176.54 174.91 3cwa h VAL 118 N 0.36 1.22 -0.43 4.60 2.07 0.32 -2.40 116.25 122.00 3cwa h VAL 118 Ca 0.10 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3cwa h VAL 118 Cb 0.28 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3cwa h VAL 118 CO -0.00 0.27 0.26 0.03 0.02 0.00 0.00 177.57 178.15 3cwa h ARG 119 N 0.56 0.59 -0.63 1.57 3.08 -0.50 -0.82 114.38 118.22 3cwa h ARG 119 Ca 0.14 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.19 3cwa h ARG 119 Cb 0.28 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3cwa h ARG 119 CO -0.00 0.43 0.34 0.00 -1.07 0.00 0.00 179.97 179.66 3cwa h ALA 120 N 1.12 0.84 -0.16 0.04 0.00 -0.84 0.52 119.26 120.78 3cwa h ALA 120 Ca 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3cwa h ALA 120 Cb -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3cwa h ALA 120 CO -0.03 -0.00 -0.09 0.82 0.00 0.00 0.00 179.25 179.95 3cwa h ILE 121 N 0.62 1.32 0.00 0.00 2.04 -1.09 -2.80 117.51 117.61 3cwa h ILE 121 Ca 0.28 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3cwa h ILE 121 Cb 0.19 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3cwa h ILE 121 CO -0.19 0.34 0.00 -0.07 0.00 0.00 0.00 178.15 178.24 3cwa h LEU 122 N 0.01 0.00 -0.78 1.44 3.38 -0.82 -2.22 115.31 116.32 3cwa h LEU 122 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cwa h LEU 122 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3cwa h LEU 122 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3cwa n GLY 123 N -0.14 -0.06 3.72 0.83 0.00 0.18 -4.63 105.19 105.09 3cwa n GLY 123 Ca 0.01 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3cwa n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cwa s GLN 124 N -1.79 4.53 0.00 1.61 -0.21 -0.84 -4.47 119.66 118.49 3cwa s GLN 124 Ca 0.24 1.59 0.00 0.00 0.02 0.00 0.00 55.36 57.21 3cwa s GLN 124 Cb 0.13 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.75 3cwa s GLN 124 CO 0.19 -0.09 0.00 -0.11 -2.12 0.00 0.00 175.29 173.16 3cwa n LEU 125 N 3.65 0.00 -4.35 2.90 7.94 -1.26 -4.91 117.00 120.97 3cwa n LEU 125 Ca 0.06 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.67 3cwa n LEU 125 Cb 0.49 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.67 3cwa n LEU 125 CO 0.53 0.00 0.09 1.33 -1.11 0.00 0.00 177.39 178.24 3cwa n VAL 126 N 0.00 0.00 -2.12 1.96 0.24 -1.26 -4.99 118.33 112.16 3cwa n VAL 126 Ca 0.00 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 3cwa n VAL 126 Cb 0.00 -0.84 0.03 0.00 -1.47 0.00 0.00 33.84 31.56 3cwa n VAL 126 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3cwa s SER 127 N -2.24 5.78 0.26 -1.34 1.04 -1.26 -4.80 113.70 111.15 3cwa s SER 127 Ca 0.63 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 3cwa s SER 127 Cb -0.19 -2.04 0.54 0.00 0.10 0.00 0.00 66.02 64.43 3cwa s SER 127 CO 0.64 -1.05 1.75 0.58 0.98 0.00 0.00 173.24 176.13 3cwa h VAL 128 N -0.33 0.69 -0.59 5.02 2.07 -1.94 0.30 116.25 121.47 3cwa h VAL 128 Ca -0.45 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3cwa h VAL 128 Cb 1.23 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3cwa h VAL 128 CO 0.62 0.10 0.12 0.00 0.02 0.00 0.00 177.57 178.44 3cwa h ALA 129 N 1.57 1.10 -0.10 1.67 0.00 -1.93 -1.00 119.26 120.57 3cwa h ALA 129 Ca 0.47 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 3cwa h ALA 129 Cb 0.70 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3cwa h ALA 129 CO -0.39 0.60 -0.79 1.98 0.00 0.00 0.00 179.25 180.64 3cwa h MET 130 N 0.89 0.62 0.02 0.00 -1.53 -1.41 -2.47 114.93 111.05 3cwa h MET 130 Ca 0.19 -0.53 -0.00 0.00 -3.44 0.00 0.00 59.70 55.92 3cwa h MET 130 Cb 0.35 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.52 3cwa h MET 130 CO 0.00 1.15 -0.01 0.00 0.14 0.00 0.00 176.91 178.19 3cwa h ALA 131 N 0.70 -0.03 -0.60 0.39 0.00 -0.16 0.24 119.26 119.79 3cwa h ALA 131 Ca -0.05 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3cwa h ALA 131 Cb 1.41 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 3cwa h ALA 131 CO 0.15 -0.50 0.31 0.00 0.00 0.00 0.00 179.25 179.22 3cwa h ALA 132 N 0.91 0.80 -0.26 0.00 0.00 -1.20 0.22 119.26 119.72 3cwa h ALA 132 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3cwa h ALA 132 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3cwa h ALA 132 CO 0.01 -0.03 0.11 -0.22 0.00 0.00 0.00 179.25 179.12 3cwa h LYS 133 N 0.58 0.38 -0.81 0.00 3.64 -1.04 0.15 116.57 119.47 3cwa h LYS 133 Ca 0.27 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3cwa h LYS 133 Cb 0.19 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3cwa h LYS 133 CO -0.19 0.39 0.54 1.25 -2.27 0.00 0.00 179.45 179.17 3cwa h LEU 134 N 0.28 0.93 -0.51 5.20 5.85 0.01 -1.79 115.31 125.28 3cwa h LEU 134 Ca 0.09 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 3cwa h LEU 134 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3cwa h LEU 134 CO -0.01 0.67 -0.05 0.74 -0.34 0.00 0.00 178.44 179.45 3cwa h THR 135 N 1.10 1.27 -0.77 1.05 2.02 -0.27 -2.66 112.91 114.65 3cwa h THR 135 Ca 0.30 -1.17 0.10 0.00 0.77 0.00 0.00 66.41 66.41 3cwa h THR 135 Cb -0.13 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3cwa h THR 135 CO -0.07 0.41 0.50 0.00 0.37 0.00 0.00 175.52 176.74 3cwa h ALA 136 N 0.92 1.82 -0.34 6.16 0.00 0.09 -0.72 119.26 127.18 3cwa h ALA 136 Ca 0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3cwa h ALA 136 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3cwa h ALA 136 CO 0.04 0.02 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 3cwa h ARG 137 N 0.67 0.68 -0.29 0.00 3.08 -1.01 -1.51 114.38 116.02 3cwa h ARG 137 Ca 0.36 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3cwa h ARG 137 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3cwa h ARG 137 CO -0.13 0.87 -0.18 0.28 -1.07 0.00 0.00 179.97 179.74 3cwa h VAL 138 N 0.60 1.30 -0.67 2.04 2.07 -0.98 -2.64 116.25 117.96 3cwa h VAL 138 Ca 0.08 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3cwa h VAL 138 Cb 0.74 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 3cwa h VAL 138 CO 0.06 0.41 0.33 0.00 0.02 0.00 0.00 177.57 178.40 3cwa h ALA 139 N 0.73 0.86 0.00 1.67 0.00 -1.18 -1.86 119.26 119.48 3cwa h ALA 139 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cwa h ALA 139 Cb 0.71 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cwa h ALA 139 CO 0.05 0.41 -0.02 0.37 0.00 0.00 0.00 179.25 180.06 3cwa h GLN 140 N 0.92 0.00 0.00 0.00 5.75 -1.13 0.15 115.11 120.79 3cwa h GLN 140 Ca 0.23 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.42 3cwa h GLN 140 Cb 0.09 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.59 3cwa h GLN 140 CO -0.03 0.02 -2.11 -0.11 -2.65 0.00 0.00 178.83 173.95 3cwa n LEU 141 N -4.28 0.31 0.00 -2.39 7.94 -0.95 -4.66 117.00 112.98 3cwa n LEU 141 Ca -0.03 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 3cwa n LEU 141 Cb 0.11 0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.41 3cwa n LEU 141 CO 0.32 0.42 -0.03 -1.22 -1.11 0.00 0.00 177.39 175.77 3cwa n TYR 142 N -2.82 0.00 -0.59 1.96 4.01 -0.74 -5.07 117.16 113.91 3cwa n TYR 142 Ca -0.25 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.19 3cwa n TYR 142 Cb 1.08 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.37 3cwa n TYR 142 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3cwa s GLY 143 N -1.04 1.48 -0.13 2.72 0.00 0.51 -4.67 107.32 106.18 3cwa s GLY 143 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 3cwa s GLY 143 CO 0.00 0.26 -0.11 1.85 0.00 0.00 0.00 173.10 175.10 3cwa s GLU 144 N -4.94 3.44 0.18 2.90 2.56 -1.08 -4.89 118.70 116.86 3cwa s GLU 144 Ca 0.69 -0.65 -0.17 0.00 0.00 0.00 0.00 54.97 54.83 3cwa s GLU 144 Cb -0.16 -2.69 -0.08 0.00 2.00 0.00 0.00 34.13 33.20 3cwa s GLU 144 CO 0.60 0.23 0.64 1.03 -0.56 0.00 0.00 175.26 177.19 3cwa s ARG 145 N 0.34 4.14 -0.23 4.30 3.00 -1.26 0.14 118.95 129.38 3cwa s ARG 145 Ca -0.09 0.70 -0.18 0.00 0.00 0.00 0.00 55.73 56.16 3cwa s ARG 145 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 34.95 31.83 3cwa s ARG 145 CO 0.05 0.45 0.50 -0.51 0.00 0.00 0.00 175.30 175.79 3cwa s LEU 146 N -1.89 4.11 0.34 2.53 1.43 -1.23 -4.92 118.68 119.04 3cwa s LEU 146 Ca 0.40 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 3cwa s LEU 146 Cb -0.16 -2.67 0.65 0.00 0.03 0.00 0.00 46.19 44.05 3cwa s LEU 146 CO 0.20 -0.21 1.96 0.44 0.23 0.00 0.00 176.35 178.97 3cwa h ASP 147 N 7.69 0.75 0.55 2.29 5.19 -1.96 -1.11 116.42 129.80 3cwa h ASP 147 Ca -0.32 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 3cwa h ASP 147 Cb 1.15 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3cwa h ASP 147 CO 0.73 0.50 -0.10 0.47 -3.12 0.00 0.00 179.24 177.72 3cwa n ASP 148 N -4.47 0.26 -3.23 6.45 9.92 -1.26 -4.35 116.55 119.88 3cwa n ASP 148 Ca 0.10 -0.23 -0.23 0.00 -0.53 0.00 0.00 54.79 53.90 3cwa n ASP 148 Cb 0.17 -0.18 -0.07 0.00 -0.64 0.00 0.00 41.12 40.40 3cwa n ASP 148 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3cwa n PHE 149 N -1.20 -1.04 0.29 1.24 3.72 -0.43 -4.99 117.46 115.06 3cwa n PHE 149 Ca 0.12 -3.19 0.15 0.00 -0.05 0.00 0.00 57.45 54.48 3cwa n PHE 149 Cb 0.28 0.17 0.80 0.00 -0.94 0.00 0.00 39.48 39.79 3cwa n PHE 149 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3cwa h PRO 150 N 4.80 0.00 0.00 -1.08 0.11 -1.73 -0.91 132.00 133.20 3cwa h PRO 150 Ca 0.15 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 3cwa h PRO 150 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3cwa h PRO 150 CO 0.38 0.00 -0.73 1.05 -0.21 0.00 0.00 178.00 178.50 3cwa h GLU 151 N 0.00 0.00 -6.25 1.05 9.09 -1.94 -3.47 114.58 113.06 3cwa h GLU 151 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 3cwa h GLU 151 Cb 0.46 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 3cwa h GLU 151 CO 0.00 0.50 -0.31 0.71 0.05 0.00 0.00 179.01 179.95 3cwa s TYR 152 N -2.93 3.48 -0.02 2.06 2.02 -0.34 -4.62 117.35 116.99 3cwa s TYR 152 Ca 0.02 0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 57.08 3cwa s TYR 152 Cb 0.08 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 3cwa s TYR 152 CO 0.76 0.36 0.05 -1.50 -1.57 0.00 0.00 175.55 173.65 3cwa s ILE 153 N -1.89 -0.03 0.30 2.71 2.07 0.11 -3.55 121.20 120.91 3cwa s ILE 153 Ca 0.39 0.11 -0.29 0.00 -1.41 0.00 0.00 60.65 59.46 3cwa s ILE 153 Cb -0.11 -0.09 -0.09 0.00 0.13 0.00 0.00 42.46 42.30 3cwa s ILE 153 CO 0.29 0.05 1.07 0.00 -1.91 0.00 0.00 174.94 174.44 3cwa n PHE 155 N 1.00 2.68 -1.61 0.00 7.35 -1.26 -2.65 117.46 122.98 3cwa n PHE 155 Ca -0.00 0.46 -0.42 0.00 -0.76 0.00 0.00 57.45 56.73 3cwa n PHE 155 Cb 0.46 -2.47 0.01 0.00 0.35 0.00 0.00 39.48 37.83 3cwa n PHE 155 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3cwa n PRO 156 N 0.12 1.36 -2.80 -7.13 -0.02 -1.26 -4.67 135.00 120.60 3cwa n PRO 156 Ca 0.04 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 3cwa n PRO 156 Cb 0.40 -2.03 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3cwa n PRO 156 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3cwa s THR 157 N -1.26 3.39 0.38 3.45 -4.23 -1.26 -4.90 115.64 111.20 3cwa s THR 157 Ca 0.63 -0.54 0.10 0.00 -1.18 0.00 0.00 61.69 60.70 3cwa s THR 157 Cb -0.57 -3.27 0.14 0.00 1.34 0.00 0.00 72.50 70.14 3cwa s THR 157 CO 0.57 -0.19 1.88 -0.65 -0.54 0.00 0.00 174.62 175.69 3cwa h PRO 158 N 0.21 0.20 -0.25 3.99 0.11 -1.94 -2.75 132.00 131.57 3cwa h PRO 158 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3cwa h PRO 158 Cb 1.27 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3cwa h PRO 158 CO 0.55 0.40 -0.10 -0.56 -0.21 0.00 0.00 178.00 178.08 3cwa h GLN 159 N 0.19 0.41 0.02 1.05 -0.00 -1.94 -1.45 115.11 113.39 3cwa h GLN 159 Ca 0.03 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.55 3cwa h GLN 159 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 3cwa h GLN 159 CO 0.03 0.52 -0.13 0.00 -0.00 0.00 0.00 178.83 179.25 3cwa h ARG 160 N 0.39 0.06 -0.14 0.06 -0.00 -1.86 -3.28 114.38 109.61 3cwa h ARG 160 Ca 0.08 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.98 59.42 3cwa h ARG 160 Cb 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.41 3cwa h ARG 160 CO 0.02 0.99 -0.16 -0.07 0.00 0.00 0.00 179.97 180.75 3cwa h LEU 161 N -0.83 0.21 -1.41 3.04 3.38 -1.51 -1.36 115.31 116.83 3cwa h LEU 161 Ca -0.02 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3cwa h LEU 161 Cb 1.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3cwa h LEU 161 CO 0.02 0.39 -0.14 0.00 0.09 0.00 0.00 178.44 178.81 3cwa h ALA 162 N 1.63 1.51 0.00 1.53 0.00 -1.39 -2.09 119.26 120.46 3cwa h ALA 162 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3cwa h ALA 162 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cwa h ALA 162 CO 0.03 0.35 -0.56 0.00 0.00 0.00 0.00 179.25 179.07 3cwa n ALA 163 N -2.49 3.29 -1.53 0.00 0.00 -0.83 -4.93 120.51 114.02 3cwa n ALA 163 Ca -0.01 -0.31 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 3cwa n ALA 163 Cb 0.27 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.65 3cwa n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cwa n ALA 164 N -1.63 0.11 -2.65 0.00 0.00 -0.57 -4.97 120.51 110.80 3cwa n ALA 164 Ca 0.05 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 3cwa n ALA 164 Cb 0.38 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 3cwa n ALA 164 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cwa s ASP 165 N -1.43 6.78 0.26 0.00 2.15 -1.26 -4.95 116.67 118.22 3cwa s ASP 165 Ca 0.76 0.96 -0.04 0.00 0.43 0.00 0.00 52.55 54.66 3cwa s ASP 165 Cb -0.38 -2.40 0.52 0.00 -0.30 0.00 0.00 42.92 40.35 3cwa s ASP 165 CO 0.47 -0.43 1.65 -0.65 -0.17 0.00 0.00 175.17 176.04 3cwa h PRO 166 N 7.64 0.15 0.00 4.34 0.11 -1.93 0.20 132.00 142.52 3cwa h PRO 166 Ca -0.26 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3cwa h PRO 166 Cb 1.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3cwa h PRO 166 CO 0.83 0.10 -0.21 1.96 -0.21 0.00 0.00 178.00 180.47 3cwa h GLN 167 N 0.16 0.00 -0.23 1.05 7.50 -1.97 -1.22 115.11 120.40 3cwa h GLN 167 Ca 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.56 3cwa h GLN 167 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 3cwa h GLN 167 CO -0.64 0.21 -0.04 0.00 -1.50 0.00 0.00 178.83 176.86 3cwa h ALA 168 N 1.79 0.32 -0.45 3.87 0.00 -1.00 -1.81 119.26 121.98 3cwa h ALA 168 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3cwa h ALA 168 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3cwa h ALA 168 CO 0.03 0.09 -0.26 -0.07 0.00 0.00 0.00 179.25 179.04 3cwa h LEU 169 N 0.18 0.99 -1.00 0.00 3.38 -1.22 -2.79 115.31 114.85 3cwa h LEU 169 Ca 0.06 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.72 3cwa h LEU 169 Cb 0.49 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3cwa h LEU 169 CO 0.02 1.19 0.64 0.50 0.09 0.00 0.00 178.44 180.88 3cwa h LYS 170 N 0.82 1.09 0.00 1.13 3.64 -1.13 -0.27 116.57 121.84 3cwa h LYS 170 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3cwa h LYS 170 Cb 0.84 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3cwa h LYS 170 CO 0.07 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.97 3cwa h ALA 171 N 1.48 1.00 0.00 5.00 0.00 -1.04 -1.76 119.26 123.94 3cwa h ALA 171 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3cwa h ALA 171 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3cwa h ALA 171 CO -0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.33 3cwa n LEU 172 N -2.69 0.00 0.00 0.00 4.77 -0.11 -4.87 117.00 114.10 3cwa n LEU 172 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3cwa n LEU 172 Cb 0.10 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3cwa n LEU 172 CO 0.17 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3cwa n GLY 173 N 1.13 0.96 3.01 -0.72 0.00 -0.68 -4.96 105.19 103.94 3cwa n GLY 173 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3cwa n GLY 173 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3cwa s MET 174 N 0.07 0.39 0.70 1.61 0.23 -1.10 -5.07 119.30 116.13 3cwa s MET 174 Ca 0.00 -0.76 -0.16 0.00 -1.03 0.00 0.00 55.69 53.74 3cwa s MET 174 Cb 0.00 0.14 0.02 0.00 -1.53 0.00 0.00 34.83 33.46 3cwa s MET 174 CO 0.00 -0.07 1.21 -2.14 -2.03 0.00 0.00 175.02 171.99 3cwa s PRO 175 N -2.08 2.30 0.41 3.16 0.02 -1.26 -4.50 135.00 133.06 3cwa s PRO 175 Ca -0.10 1.77 0.10 0.00 0.02 0.00 0.00 61.00 62.79 3cwa s PRO 175 Cb -0.05 -1.85 0.91 0.00 0.02 0.00 0.00 34.50 33.53 3cwa s PRO 175 CO -0.03 -1.71 2.00 1.25 -0.33 0.00 0.00 177.00 178.18 3cwa h LEU 176 N -0.08 0.46 -1.24 -5.54 5.85 -1.93 -1.97 115.31 110.86 3cwa h LEU 176 Ca -0.48 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 3cwa h LEU 176 Cb 1.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3cwa h LEU 176 CO 0.51 0.30 -0.13 0.07 -0.34 0.00 0.00 178.44 178.85 3cwa h LYS 177 N 0.53 0.37 -0.02 1.25 2.10 -1.99 -1.21 116.57 117.60 3cwa h LYS 177 Ca 0.24 -0.10 -0.21 0.00 -2.00 0.00 0.00 60.65 58.58 3cwa h LYS 177 Cb 0.28 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3cwa h LYS 177 CO -0.07 0.50 -0.88 -0.09 -2.00 0.00 0.00 179.45 176.91 3cwa h ARG 178 N 0.34 0.40 -0.30 0.07 9.65 -1.72 -2.02 114.38 120.80 3cwa h ARG 178 Ca 0.07 -0.40 -0.14 0.00 -1.10 0.00 0.00 59.98 58.40 3cwa h ARG 178 Cb 0.44 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 3cwa h ARG 178 CO 0.03 1.07 -0.39 0.00 2.80 0.00 0.00 179.97 183.47 3cwa h ALA 179 N 0.80 0.75 -0.08 2.80 0.00 -1.15 -1.81 119.26 120.56 3cwa h ALA 179 Ca -0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3cwa h ALA 179 Cb 1.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3cwa h ALA 179 CO 0.15 0.66 -0.37 0.93 0.00 0.00 0.00 179.25 180.62 3cwa h GLU 180 N 0.58 0.17 -0.63 0.00 5.08 -1.22 -1.39 114.58 117.17 3cwa h GLU 180 Ca 0.05 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3cwa h GLU 180 Cb 0.93 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3cwa h GLU 180 CO 0.08 0.53 0.16 0.00 -1.00 0.00 0.00 179.01 178.78 3cwa h ALA 181 N 1.47 0.83 -0.23 3.43 0.00 -0.83 -1.28 119.26 122.64 3cwa h ALA 181 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3cwa h ALA 181 Cb 0.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cwa h ALA 181 CO 0.06 0.53 0.05 -0.07 0.00 0.00 0.00 179.25 179.82 3cwa h LEU 182 N 0.92 0.36 -0.73 0.00 3.38 -0.82 -0.14 115.31 118.28 3cwa h LEU 182 Ca 0.20 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3cwa h LEU 182 Cb 0.35 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3cwa h LEU 182 CO 0.00 0.51 0.46 0.40 0.09 0.00 0.00 178.44 179.90 3cwa h ILE 183 N 0.20 1.10 -0.33 1.22 2.04 -1.08 0.02 117.51 120.67 3cwa h ILE 183 Ca 0.07 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 3cwa h ILE 183 Cb 0.29 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3cwa h ILE 183 CO 0.00 0.16 -0.28 -0.74 0.00 0.00 0.00 178.15 177.30 3cwa h HIS 184 N 0.89 0.78 -0.63 1.37 2.76 -1.09 -1.09 115.15 118.15 3cwa h HIS 184 Ca 0.29 -0.19 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 3cwa h HIS 184 Cb 0.02 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3cwa h HIS 184 CO -0.04 0.88 0.04 1.25 -1.30 0.00 0.00 177.93 178.76 3cwa h LEU 185 N 0.58 1.05 -0.70 0.26 5.85 -0.25 -0.73 115.31 121.37 3cwa h LEU 185 Ca 0.07 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3cwa h LEU 185 Cb 0.77 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3cwa h LEU 185 CO 0.06 1.08 0.24 0.00 -0.34 0.00 0.00 178.44 179.48 3cwa h ALA 186 N 1.01 0.91 -0.46 1.25 0.00 -0.75 0.19 119.26 121.41 3cwa h ALA 186 Ca 0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3cwa h ALA 186 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3cwa h ALA 186 CO 0.03 0.57 0.03 -0.91 0.00 0.00 0.00 179.25 178.97 3cwa h ASN 187 N 1.01 0.69 -0.38 0.00 -0.26 -0.90 -0.75 115.58 114.99 3cwa h ASN 187 Ca 0.23 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3cwa h ASN 187 Cb 0.27 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3cwa h ASN 187 CO -0.01 0.74 0.09 0.00 -1.06 0.00 0.00 177.43 177.19 3cwa h ALA 188 N 1.35 0.50 -0.70 -0.83 0.00 -0.43 -1.65 119.26 117.50 3cwa h ALA 188 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3cwa h ALA 188 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3cwa h ALA 188 CO 0.01 0.18 0.35 0.00 0.00 0.00 0.00 179.25 179.79 3cwa h ALA 189 N 0.94 0.90 -0.71 0.00 0.00 -0.57 0.30 119.26 120.13 3cwa h ALA 189 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3cwa h ALA 189 Cb 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3cwa h ALA 189 CO 0.00 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.95 3cwa h LEU 190 N 0.97 0.92 -0.05 0.00 3.38 -0.96 -2.55 115.31 117.03 3cwa h LEU 190 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3cwa h LEU 190 Cb 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3cwa h LEU 190 CO -0.03 0.80 0.00 1.21 0.09 0.00 0.00 178.44 180.51 3cwa n GLU 191 N -4.32 0.13 -0.60 1.13 2.13 -0.64 -4.90 120.64 113.57 3cwa n GLU 191 Ca 0.07 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3cwa n GLU 191 Cb 0.15 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.20 3cwa n GLU 191 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cwa n GLY 192 N 1.20 0.69 0.05 8.31 0.00 -0.50 -4.95 105.19 110.00 3cwa n GLY 192 Ca 0.06 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3cwa n GLY 192 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cwa n THR 193 N -2.60 0.27 -3.47 2.61 -1.04 -0.02 -4.72 114.28 105.31 3cwa n THR 193 Ca 0.00 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.05 61.42 3cwa n THR 193 Cb 0.00 -0.26 -0.10 0.00 -1.82 0.00 0.00 70.33 68.15 3cwa n THR 193 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3cwa s LEU 194 N -3.80 5.05 -0.12 -4.42 2.96 -1.20 -4.95 118.68 112.21 3cwa s LEU 194 Ca 0.10 -0.86 -0.33 0.00 -0.22 0.00 0.00 54.13 52.83 3cwa s LEU 194 Cb 0.15 -2.16 -0.10 0.00 0.50 0.00 0.00 46.19 44.58 3cwa s LEU 194 CO 0.64 -0.43 1.99 -2.65 -1.32 0.00 0.00 176.35 174.58 3cwa n PRO 195 N 5.15 2.14 0.00 0.98 -0.02 -1.26 -4.81 135.00 137.18 3cwa n PRO 195 Ca -0.11 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3cwa n PRO 195 Cb 0.47 -2.79 0.25 0.00 -0.02 0.00 0.00 33.50 31.41 3cwa n PRO 195 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3cwa n MET 196 N 7.35 0.56 -4.01 -0.52 2.81 -1.26 -4.86 117.12 117.19 3cwa n MET 196 Ca 0.26 -0.36 -0.12 0.00 -1.81 0.00 0.00 57.70 55.67 3cwa n MET 196 Cb 0.33 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.23 3cwa n MET 196 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3cwa s THR 197 N -2.69 0.26 -0.09 2.03 -1.32 -1.26 -4.65 115.64 107.91 3cwa s THR 197 Ca 0.18 -0.66 -0.37 0.00 -1.21 0.00 0.00 61.69 59.64 3cwa s THR 197 Cb 0.18 -0.32 -0.14 0.00 -1.51 0.00 0.00 72.50 70.71 3cwa s THR 197 CO 0.61 -0.26 1.68 0.00 -2.21 0.00 0.00 174.62 174.44 3cwa n ILE 198 N 2.09 0.28 -2.17 5.08 3.06 -1.26 -4.96 119.36 121.49 3cwa n ILE 198 Ca -0.19 -0.05 -0.29 0.00 -2.50 0.00 0.00 62.75 59.71 3cwa n ILE 198 Cb 0.56 -1.37 0.02 0.00 0.54 0.00 0.00 39.64 39.39 3cwa n ILE 198 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3cwa s PRO 199 N 2.71 3.36 0.39 9.51 0.04 -1.26 -4.98 135.00 144.77 3cwa s PRO 199 Ca 0.91 0.44 0.11 0.00 0.04 0.00 0.00 61.00 62.49 3cwa s PRO 199 Cb -0.89 -2.18 0.78 0.00 0.04 0.00 0.00 34.50 32.26 3cwa s PRO 199 CO 0.54 -0.56 1.90 0.78 0.04 0.00 0.00 177.00 179.69 3cwa h GLY 200 N -0.20 0.17 -7.24 0.56 0.00 -2.06 -3.33 103.07 90.98 3cwa h GLY 200 Ca -0.45 -0.11 -0.67 0.00 0.00 0.00 0.00 47.33 46.10 3cwa h GLY 200 CO 0.62 0.11 -0.33 -0.35 0.00 0.00 0.00 176.54 176.59 3cwa s ASP 201 N -6.91 5.41 0.38 0.19 -1.08 -1.26 -4.94 116.67 108.46 3cwa s ASP 201 Ca -0.05 -3.71 0.11 0.00 -0.52 0.00 0.00 52.55 48.38 3cwa s ASP 201 Cb 0.15 -1.78 0.88 0.00 -1.46 0.00 0.00 42.92 40.71 3cwa s ASP 201 CO 0.73 -0.15 1.90 0.58 0.52 0.00 0.00 175.17 178.74 3cwa h VAL 202 N 4.32 0.85 -0.29 1.11 2.07 -1.99 -0.01 116.25 122.31 3cwa h VAL 202 Ca 0.13 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3cwa h VAL 202 Cb 0.80 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3cwa h VAL 202 CO 0.78 0.11 -0.02 -0.08 0.02 0.00 0.00 177.57 178.39 3cwa h GLU 203 N 0.62 0.53 -0.20 1.57 4.57 -1.95 -0.35 114.58 119.36 3cwa h GLU 203 Ca 0.40 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 3cwa h GLU 203 Cb 0.69 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3cwa h GLU 203 CO -0.16 0.69 -0.01 0.37 -1.18 0.00 0.00 179.01 178.72 3cwa h GLN 204 N 0.31 0.36 -0.44 1.92 -0.00 -1.82 -1.91 115.11 113.54 3cwa h GLN 204 Ca 0.08 -0.12 0.04 0.00 -0.00 0.00 0.00 58.65 58.65 3cwa h GLN 204 Cb 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.87 3cwa h GLN 204 CO 0.02 0.57 0.21 0.00 0.00 0.00 0.00 178.83 179.62 3cwa h ALA 205 N 0.78 0.55 -0.76 3.38 0.00 -0.93 -1.77 119.26 120.50 3cwa h ALA 205 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3cwa h ALA 205 Cb 0.41 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3cwa h ALA 205 CO 0.01 -0.16 0.26 0.52 0.00 0.00 0.00 179.25 179.89 3cwa h MET 206 N 0.42 1.16 -0.22 0.00 2.86 -1.00 -1.17 114.93 116.98 3cwa h MET 206 Ca 0.19 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3cwa h MET 206 Cb 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3cwa h MET 206 CO -0.15 0.97 0.12 -0.22 1.06 0.00 0.00 176.91 178.69 3cwa h LYS 207 N 1.12 0.29 -0.09 1.72 3.64 -0.76 -0.75 116.57 121.75 3cwa h LYS 207 Ca 0.25 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 3cwa h LYS 207 Cb 0.27 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3cwa h LYS 207 CO -0.01 0.22 -0.82 1.15 -2.27 0.00 0.00 179.45 177.71 3cwa h THR 208 N 0.30 1.33 -0.75 1.00 2.02 -0.60 -3.12 112.91 113.09 3cwa h THR 208 Ca 0.08 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 3cwa h THR 208 Cb 0.00 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 3cwa h THR 208 CO -0.01 0.66 0.41 -0.07 0.37 0.00 0.00 175.52 176.87 3cwa h LEU 209 N 0.39 0.92 0.00 2.58 3.38 -0.00 -2.13 115.31 120.45 3cwa h LEU 209 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3cwa h LEU 209 Cb 1.43 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3cwa h LEU 209 CO 0.15 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.43 3cwa n GLN 210 N -4.36 0.01 0.00 1.13 6.02 -0.42 -0.57 117.38 119.18 3cwa n GLN 210 Ca 0.08 0.38 0.13 0.00 -0.01 0.00 0.00 57.00 57.57 3cwa n GLN 210 Cb 0.10 -1.50 0.40 0.00 1.02 0.00 0.00 30.24 30.25 3cwa n GLN 210 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3cwa n THR 211 N -1.49 0.00 -2.32 5.09 -2.24 -0.80 -4.75 114.28 107.77 3cwa n THR 211 Ca 0.02 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3cwa n THR 211 Cb 0.07 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 3cwa n THR 211 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3cwa s PHE 212 N -2.99 3.36 0.43 4.78 0.40 0.26 -4.97 117.98 119.25 3cwa s PHE 212 Ca 0.12 1.40 -0.25 0.00 -0.60 0.00 0.00 56.93 57.60 3cwa s PHE 212 Cb 0.18 -3.48 -0.08 0.00 0.51 0.00 0.00 43.02 40.14 3cwa s PHE 212 CO 0.63 -1.37 1.31 -1.25 0.70 0.00 0.00 175.22 175.24 3cwa s PRO 213 N -0.52 3.84 0.00 0.24 0.04 -1.26 -2.09 135.00 135.25 3cwa s PRO 213 Ca 0.52 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3cwa s PRO 213 Cb -0.34 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3cwa s PRO 213 CO 0.39 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.24 3cwa n GLY 214 N 0.64 2.45 3.25 0.56 0.00 -1.26 -4.52 105.19 106.32 3cwa n GLY 214 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3cwa n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cwa s ILE 215 N -2.82 3.67 0.00 -0.61 1.01 -0.89 -5.02 121.20 116.53 3cwa s ILE 215 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.45 3cwa s ILE 215 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3cwa s ILE 215 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.36 3cwa n GLY 216 N 4.78 1.96 0.33 6.18 0.00 -1.26 -4.37 105.19 112.81 3cwa n GLY 216 Ca -0.12 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.76 3cwa n GLY 216 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cwa h ARG 217 N 0.00 1.02 0.66 1.61 2.43 -1.96 -2.21 114.38 115.93 3cwa h ARG 217 Ca 0.00 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 3cwa h ARG 217 Cb 0.00 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3cwa h ARG 217 CO 0.00 0.82 -0.32 2.35 -1.51 0.00 0.00 179.97 181.31 3cwa h TRP 218 N 1.01 -0.82 -0.95 2.20 7.01 -1.96 -0.97 115.95 121.46 3cwa h TRP 218 Ca 0.24 -0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.33 3cwa h TRP 218 Cb 0.17 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 27.42 3cwa h TRP 218 CO 0.01 -0.49 0.58 1.15 -2.79 0.00 0.00 178.44 176.91 3cwa h THR 219 N -0.97 0.91 -0.30 2.65 2.02 -1.91 0.16 112.91 115.48 3cwa h THR 219 Ca -0.09 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 3cwa h THR 219 Cb 0.70 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3cwa h THR 219 CO 0.15 0.17 0.02 0.00 0.37 0.00 0.00 175.52 176.23 3cwa h ALA 220 N 1.52 0.41 0.14 6.16 0.00 -1.28 0.14 119.26 126.34 3cwa h ALA 220 Ca 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3cwa h ALA 220 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cwa h ALA 220 CO -0.26 0.13 -0.07 -0.91 0.00 0.00 0.00 179.25 178.14 3cwa h ASN 221 N 0.33 -0.16 -0.36 0.00 -0.26 -0.41 -0.48 115.58 114.23 3cwa h ASN 221 Ca 0.09 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 3cwa h ASN 221 Cb 0.40 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 3cwa h ASN 221 CO 0.01 -0.04 0.17 0.22 -1.06 0.00 0.00 177.43 176.73 3cwa h TYR 222 N -0.27 0.56 -0.32 1.19 3.20 -0.66 -0.40 116.97 120.27 3cwa h TYR 222 Ca -0.02 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.67 3cwa h TYR 222 Cb 0.22 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3cwa h TYR 222 CO -0.04 0.44 -0.46 0.35 -1.64 0.00 0.00 178.16 176.81 3cwa h PHE 223 N 0.57 1.04 -0.27 -3.82 3.57 -0.50 -1.54 116.94 115.99 3cwa h PHE 223 Ca 0.14 -0.34 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3cwa h PHE 223 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3cwa h PHE 223 CO 0.01 1.15 0.07 0.00 -2.23 0.00 0.00 178.31 177.30 3cwa h ALA 224 N 0.80 0.35 0.69 2.41 0.00 -0.28 1.40 119.26 124.63 3cwa h ALA 224 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3cwa h ALA 224 Cb 1.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3cwa h ALA 224 CO 0.10 0.01 -0.41 1.25 0.00 0.00 0.00 179.25 180.20 3cwa h LEU 225 N 0.27 -1.02 0.01 0.00 6.46 -1.00 -1.64 115.31 118.38 3cwa h LEU 225 Ca 0.08 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3cwa h LEU 225 Cb 0.28 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3cwa h LEU 225 CO 0.00 -0.65 -0.14 0.03 -0.62 0.00 0.00 178.44 177.06 3cwa h ARG 226 N -1.03 0.08 -0.19 1.25 2.47 -1.27 -1.43 114.38 114.27 3cwa h ARG 226 Ca -0.09 -0.10 -0.12 0.00 -1.26 0.00 0.00 59.98 58.41 3cwa h ARG 226 Cb 0.83 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 3cwa h ARG 226 CO 0.10 0.91 -0.41 0.78 0.56 0.00 0.00 179.97 181.92 3cwa h GLY 227 N -0.70 0.47 -0.29 0.04 0.00 0.18 -3.24 103.07 99.52 3cwa h GLY 227 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3cwa h GLY 227 CO 0.03 0.42 -0.27 0.79 0.00 0.00 0.00 176.54 177.50 3cwa n TRP 228 N -4.02 0.00 -3.50 5.60 8.01 -0.82 -4.67 117.44 118.03 3cwa n TRP 228 Ca -0.02 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.92 3cwa n TRP 228 Cb 0.50 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.83 3cwa n TRP 228 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3cwa n GLN 229 N -0.58 -5.32 -2.01 -0.99 3.00 -0.54 -4.48 117.38 106.46 3cwa n GLN 229 Ca 0.03 0.69 -0.42 0.00 -0.01 0.00 0.00 57.00 57.30 3cwa n GLN 229 Cb 0.18 -5.57 -0.03 0.00 0.00 0.00 0.00 30.24 24.82 3cwa n GLN 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3cwa s ALA 230 N -3.19 3.68 -1.32 -1.58 0.00 -0.70 -4.90 121.76 113.75 3cwa s ALA 230 Ca 0.50 1.18 0.28 0.00 0.00 0.00 0.00 51.96 53.92 3cwa s ALA 230 Cb -0.24 -3.64 1.10 0.00 0.00 0.00 0.00 23.12 20.33 3cwa s ALA 230 CO 0.62 -0.92 1.80 1.63 0.00 0.00 0.00 175.76 178.88 3cwa n LYS 231 N 4.92 0.34 -2.74 0.00 4.76 -1.26 -4.40 118.16 119.78 3cwa n LYS 231 Ca 0.14 -0.11 -0.23 0.00 -2.87 0.00 0.00 58.31 55.24 3cwa n LYS 231 Cb 0.41 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 3cwa n LYS 231 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3cwa n ASP 232 N -1.23 3.74 -4.11 4.39 2.03 -1.26 -1.36 116.55 118.75 3cwa n ASP 232 Ca 0.11 -3.49 -0.20 0.00 0.52 0.00 0.00 54.79 51.72 3cwa n ASP 232 Cb 0.30 -0.52 -0.14 0.00 -0.72 0.00 0.00 41.12 40.04 3cwa n ASP 232 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3cwa s VAL 233 N -4.49 1.02 0.30 5.18 -7.23 -1.26 -4.67 120.40 109.26 3cwa s VAL 233 Ca 0.45 -0.76 0.10 0.00 -1.81 0.00 0.00 61.98 59.95 3cwa s VAL 233 Cb 0.36 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 3cwa s VAL 233 CO -0.13 0.13 -0.01 0.12 -0.31 0.00 0.00 175.10 174.90 3cwa s PHE 234 N -0.58 2.58 -0.76 2.82 5.36 -1.26 -2.33 117.98 123.81 3cwa s PHE 234 Ca 0.03 -0.34 0.03 0.00 -0.96 0.00 0.00 56.93 55.69 3cwa s PHE 234 Cb -0.06 -1.32 0.29 0.00 -0.34 0.00 0.00 43.02 41.58 3cwa s PHE 234 CO 0.00 0.55 1.05 1.28 -1.46 0.00 0.00 175.22 176.64 3cwa n LEU 235 N -0.90 4.82 0.24 6.12 4.32 -1.26 -4.88 117.00 125.46 3cwa n LEU 235 Ca -0.05 -5.45 0.13 0.00 -0.02 0.00 0.00 56.01 50.62 3cwa n LEU 235 Cb 0.61 -0.82 0.70 0.00 -1.62 0.00 0.00 43.42 42.28 3cwa n LEU 235 CO 0.41 2.05 0.97 1.55 -1.22 0.00 0.00 177.39 181.15 3cwa h PRO 236 N 4.19 0.00 0.00 3.23 0.13 -1.96 -0.35 132.00 137.24 3cwa h PRO 236 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3cwa h PRO 236 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3cwa h PRO 236 CO 0.97 0.00 -0.96 -0.25 -0.23 0.00 0.00 178.00 177.53 3cwa n ASP 237 N -2.52 0.64 -4.65 1.44 8.00 -1.26 -4.51 116.55 113.68 3cwa n ASP 237 Ca -0.02 -0.33 -0.39 0.00 0.71 0.00 0.00 54.79 54.76 3cwa n ASP 237 Cb 0.22 0.77 0.03 0.00 -0.02 0.00 0.00 41.12 42.12 3cwa n ASP 237 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3cwa n ASP 238 N -1.83 1.58 0.29 -2.24 2.03 -0.14 -4.89 116.55 111.35 3cwa n ASP 238 Ca 0.03 0.94 -0.12 0.00 0.52 0.00 0.00 54.79 56.17 3cwa n ASP 238 Cb 0.41 -1.44 -0.05 0.00 -0.72 0.00 0.00 41.12 39.31 3cwa n ASP 238 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3cwa h TYR 239 N 1.19 -0.70 -0.69 -0.67 3.20 -1.94 -1.75 116.97 115.62 3cwa h TYR 239 Ca -0.48 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.54 3cwa h TYR 239 Cb 1.33 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.80 3cwa h TYR 239 CO 0.42 -0.43 0.48 1.25 -1.64 0.00 0.00 178.16 178.23 3cwa h LEU 240 N -0.86 0.19 -0.71 2.82 5.85 -1.97 0.16 115.31 120.78 3cwa h LEU 240 Ca -0.08 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 3cwa h LEU 240 Cb 0.58 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3cwa h LEU 240 CO 0.13 0.10 -0.31 0.40 -0.34 0.00 0.00 178.44 178.41 3cwa h ILE 241 N 0.20 1.28 -0.70 4.05 1.08 -1.85 -1.69 117.51 119.88 3cwa h ILE 241 Ca 0.34 -1.43 -0.06 0.00 -0.39 0.00 0.00 64.86 63.32 3cwa h ILE 241 Cb 1.03 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 3cwa h ILE 241 CO -0.06 0.46 0.22 0.11 -0.69 0.00 0.00 178.15 178.19 3cwa h LYS 242 N 0.55 1.08 0.00 2.37 1.57 0.24 -1.38 116.57 121.00 3cwa h LYS 242 Ca 0.06 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 3cwa h LYS 242 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3cwa h LYS 242 CO 0.07 0.92 -0.36 1.96 -0.57 0.00 0.00 179.45 181.47 3cwa h GLN 243 N 1.04 0.00 0.00 3.15 4.20 -1.17 -2.40 115.11 119.93 3cwa h GLN 243 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3cwa h GLN 243 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3cwa h GLN 243 CO -0.01 0.36 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 3cwa h ARG 244 N 0.00 0.00 -2.08 1.46 2.47 -0.35 -3.34 114.38 112.55 3cwa h ARG 244 Ca -0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.15 3cwa h ARG 244 Cb 0.74 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.65 3cwa h ARG 244 CO 0.05 0.00 -0.93 1.19 0.56 0.00 0.00 179.97 180.84 3cwa n PHE 245 N -2.45 1.25 -1.69 3.04 3.01 -0.63 -4.32 117.46 115.67 3cwa n PHE 245 Ca 0.05 -3.81 -0.43 0.00 1.01 0.00 0.00 57.45 54.27 3cwa n PHE 245 Cb 0.42 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 3cwa n PHE 245 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3cwa n PRO 246 N 0.98 2.15 0.00 -1.08 -0.02 -1.17 -2.40 135.00 133.46 3cwa n PRO 246 Ca 0.25 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3cwa n PRO 246 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3cwa n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cwa n GLY 247 N 1.48 2.63 3.87 -1.23 0.00 -1.26 -5.00 105.19 105.68 3cwa n GLY 247 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3cwa n GLY 247 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cwa s MET 248 N 0.00 3.69 0.32 1.61 -1.94 -1.01 -5.10 119.30 116.88 3cwa s MET 248 Ca 0.00 0.10 -0.06 0.00 -1.71 0.00 0.00 55.69 54.02 3cwa s MET 248 Cb 0.00 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.68 3cwa s MET 248 CO 0.00 0.65 0.62 0.95 -0.01 0.00 0.00 175.02 177.23 3cwa s THR 249 N -1.23 4.96 0.29 2.05 -4.23 -1.26 -4.85 115.64 111.37 3cwa s THR 249 Ca 0.26 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 3cwa s THR 249 Cb -0.14 -3.74 0.30 0.00 1.34 0.00 0.00 72.50 70.26 3cwa s THR 249 CO 0.14 -0.39 1.28 -2.65 -0.54 0.00 0.00 174.62 172.46 3cwa n PRO 250 N -1.08 -0.05 0.12 3.99 -0.02 -1.26 0.52 135.00 137.21 3cwa n PRO 250 Ca -0.01 1.15 -0.02 0.00 -2.02 0.00 0.00 63.50 62.60 3cwa n PRO 250 Cb 0.54 -2.00 0.09 0.00 -0.02 0.00 0.00 33.50 32.11 3cwa n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cwa h ALA 251 N 1.63 0.77 -0.05 3.55 0.00 -1.93 -1.65 119.26 121.57 3cwa h ALA 251 Ca 0.64 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3cwa h ALA 251 Cb 1.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3cwa h ALA 251 CO -0.66 0.89 -0.20 1.96 0.00 0.00 0.00 179.25 181.24 3cwa h GLN 252 N 0.00 0.23 -0.74 0.00 4.20 -0.30 -0.88 115.11 117.61 3cwa h GLN 252 Ca -0.01 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.58 3cwa h GLN 252 Cb 1.30 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.06 3cwa h GLN 252 CO 0.09 0.81 0.45 0.82 -0.67 0.00 0.00 178.83 180.34 3cwa h ILE 253 N -0.31 1.04 -0.07 2.54 2.04 -1.40 -0.85 117.51 120.51 3cwa h ILE 253 Ca -0.01 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3cwa h ILE 253 Cb 0.84 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3cwa h ILE 253 CO 0.04 0.15 -0.34 -0.09 0.00 0.00 0.00 178.15 177.92 3cwa h ARG 254 N 0.85 0.13 -0.06 2.37 2.43 -1.23 -0.12 114.38 118.75 3cwa h ARG 254 Ca 0.32 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.25 3cwa h ARG 254 Cb 0.11 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3cwa h ARG 254 CO -0.15 0.46 -0.77 -0.09 -1.51 0.00 0.00 179.97 177.90 3cwa h ARG 255 N 0.11 0.40 -0.20 0.20 2.43 -0.33 -3.16 114.38 113.84 3cwa h ARG 255 Ca 0.01 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3cwa h ARG 255 Cb 0.66 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3cwa h ARG 255 CO 0.05 1.00 -0.10 -0.92 -1.51 0.00 0.00 179.97 178.48 3cwa h TYR 256 N 0.26 0.48 0.00 2.20 5.03 -0.70 -3.05 116.97 121.19 3cwa h TYR 256 Ca -0.04 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.15 3cwa h TYR 256 Cb 1.36 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.53 3cwa h TYR 256 CO 0.05 0.71 0.00 0.00 -1.32 0.00 0.00 178.16 177.60 3cwa h ALA 257 N 0.69 1.00 0.00 1.82 0.00 -1.05 -2.46 119.26 119.27 3cwa h ALA 257 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cwa h ALA 257 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3cwa h ALA 257 CO 0.03 0.00 0.03 0.93 0.00 0.00 0.00 179.25 180.24 3cwa h GLU 258 N 0.00 0.00 0.00 0.00 5.08 -1.50 -1.16 114.58 117.00 3cwa h GLU 258 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3cwa h GLU 258 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3cwa h GLU 258 CO 0.00 0.00 -0.35 0.07 -1.00 0.00 0.00 179.01 177.73 3cwa h ARG 259 N 0.00 0.00 -0.29 2.33 0.11 -1.65 -2.90 114.38 111.99 3cwa h ARG 259 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3cwa h ARG 259 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 3cwa h ARG 259 CO 0.00 0.35 0.00 0.91 0.10 0.00 0.00 179.97 181.33 3cwa n TRP 260 N -3.70 0.37 -1.76 4.08 8.01 -0.44 -4.94 117.44 119.07 3cwa n TRP 260 Ca -0.01 -0.19 -0.38 0.00 -1.31 0.00 0.00 57.50 55.61 3cwa n TRP 260 Cb 0.45 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.79 3cwa n TRP 260 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 3cwa s LYS 261 N -1.63 3.09 -0.66 -0.99 2.20 -1.10 -1.10 119.74 119.56 3cwa s LYS 261 Ca 0.31 2.25 -0.01 0.00 -0.36 0.00 0.00 55.97 58.16 3cwa s LYS 261 Cb 0.17 -2.24 0.44 0.00 -1.51 0.00 0.00 37.83 34.69 3cwa s LYS 261 CO 0.24 -1.24 1.98 -0.35 -0.36 0.00 0.00 175.35 175.61 3cwa n PRO 262 N -1.08 2.76 -1.01 4.03 -0.04 -1.26 -4.91 135.00 133.49 3cwa n PRO 262 Ca 0.11 -3.37 0.03 0.00 -0.04 0.00 0.00 63.50 60.22 3cwa n PRO 262 Cb 0.45 -2.29 0.14 0.00 -0.04 0.00 0.00 33.50 31.76 3cwa n PRO 262 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3cwa n TRP 263 N -0.87 0.28 -0.13 0.54 5.03 -0.25 -4.10 117.44 117.92 3cwa n TRP 263 Ca 0.61 -1.34 0.13 0.00 3.03 0.00 0.00 57.50 59.92 3cwa n TRP 263 Cb 0.65 -0.23 0.49 0.00 -1.03 0.00 0.00 31.31 31.18 3cwa n TRP 263 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3cwa h ARG 264 N 1.15 0.44 -0.64 -0.99 3.08 -1.49 -1.68 114.38 114.25 3cwa h ARG 264 Ca -0.03 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3cwa h ARG 264 Cb 1.27 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 3cwa h ARG 264 CO 0.10 0.29 0.38 0.77 -1.07 0.00 0.00 179.97 180.44 3cwa h SER 265 N 0.45 0.61 -0.04 7.04 0.02 -0.81 0.15 113.55 120.97 3cwa h SER 265 Ca 0.33 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3cwa h SER 265 Cb 0.66 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3cwa h SER 265 CO -0.10 0.42 0.01 1.88 -1.14 0.00 0.00 176.83 177.89 3cwa h TYR 266 N 0.74 0.07 -0.35 3.45 0.05 -1.46 -2.29 116.97 117.18 3cwa h TYR 266 Ca 0.27 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.11 3cwa h TYR 266 Cb 0.06 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.72 3cwa h TYR 266 CO -0.06 0.30 -0.09 0.00 -1.05 0.00 0.00 178.16 177.26 3cwa h ALA 267 N 0.76 0.23 -0.95 3.88 0.00 -1.12 0.22 119.26 122.28 3cwa h ALA 267 Ca 0.01 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.29 3cwa h ALA 267 Cb 0.27 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 3cwa h ALA 267 CO 0.00 -0.46 0.49 1.25 0.00 0.00 0.00 179.25 180.53 3cwa h LEU 268 N -0.00 0.50 -0.11 0.00 5.85 -0.51 0.12 115.31 121.16 3cwa h LEU 268 Ca 0.17 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3cwa h LEU 268 Cb 0.26 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3cwa h LEU 268 CO -0.37 0.04 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.64 3cwa h LEU 269 N 0.48 0.24 0.09 2.25 3.38 -0.05 -1.73 115.31 119.97 3cwa h LEU 269 Ca 0.60 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3cwa h LEU 269 Cb 1.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3cwa h LEU 269 CO -0.51 0.63 -0.11 0.45 0.09 0.00 0.00 178.44 178.99 3cwa h HIS 270 N -0.14 -0.28 -0.96 1.13 3.86 0.42 0.28 115.15 119.46 3cwa h HIS 270 Ca 0.02 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 3cwa h HIS 270 Cb 0.54 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.06 3cwa h HIS 270 CO 0.07 -0.17 0.63 0.82 0.86 0.00 0.00 177.93 180.14 3cwa h ILE 271 N -0.23 1.08 -0.61 2.45 2.04 -1.11 -0.38 117.51 120.74 3cwa h ILE 271 Ca 0.01 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3cwa h ILE 271 Cb 0.23 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.13 3cwa h ILE 271 CO -0.05 0.20 0.36 -0.50 0.00 0.00 0.00 178.15 178.17 3cwa h TRP 272 N 1.12 0.67 -1.60 1.37 4.06 -0.49 -3.04 115.95 118.03 3cwa h TRP 272 Ca 0.42 0.02 -0.73 0.00 2.06 0.00 0.00 58.89 60.66 3cwa h TRP 272 Cb 0.18 -0.21 -0.28 0.00 -1.00 0.00 0.00 29.16 27.85 3cwa h TRP 272 CO -0.00 0.36 0.94 0.66 -3.56 0.00 0.00 178.44 176.84 3cwa n TYR 273 N -4.77 3.08 -3.35 0.49 4.02 0.01 -4.72 117.16 111.92 3cwa n TYR 273 Ca 0.06 -2.60 -0.14 0.00 -0.01 0.00 0.00 57.90 55.21 3cwa n TYR 273 Cb 0.12 -1.26 -0.07 0.00 -0.02 0.00 0.00 39.34 38.10 3cwa n TYR 273 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3cwa s THR 274 N -4.99 -0.46 0.23 -0.72 2.01 -1.02 -4.96 115.64 105.74 3cwa s THR 274 Ca 0.57 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 3cwa s THR 274 Cb 0.47 -0.81 0.18 0.00 0.01 0.00 0.00 72.50 72.35 3cwa s THR 274 CO -0.26 -0.45 1.84 -0.08 -0.69 0.00 0.00 174.62 174.98 3cwa h GLU 275 N 7.67 0.85 -0.54 4.92 4.81 -1.84 -3.07 114.58 127.38 3cwa h GLU 275 Ca -0.04 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3cwa h GLU 275 Cb 1.08 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3cwa h GLU 275 CO 0.25 0.56 -0.09 0.78 -0.73 0.00 0.00 179.01 179.79 3cwa h GLY 276 N 0.88 1.10 -2.26 1.92 0.00 -1.96 -3.47 103.07 99.27 3cwa h GLY 276 Ca 0.34 -0.88 -0.34 0.00 0.00 0.00 0.00 47.33 46.45 3cwa h GLY 276 CO -0.16 0.80 -0.64 1.87 0.00 0.00 0.00 176.54 178.41 3cwa n TRP 277 N -4.18 -1.59 -3.59 5.60 -0.00 -1.16 -5.02 117.44 107.49 3cwa n TRP 277 Ca 0.01 0.27 -0.10 0.00 -0.00 0.00 0.00 57.50 57.68 3cwa n TRP 277 Cb 0.39 -0.95 -0.06 0.00 -0.00 0.00 0.00 31.31 30.69 3cwa n TRP 277 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 177.69 178.83 3cwa s GLN 278 N -0.56 0.58 0.96 5.87 -2.07 -1.26 -4.95 119.66 118.23 3cwa s GLN 278 Ca 0.32 0.27 -0.12 0.00 -1.82 0.00 0.00 55.36 54.01 3cwa s GLN 278 Cb -0.29 0.28 0.17 0.00 -1.09 0.00 0.00 33.01 32.08 3cwa s GLN 278 CO 0.37 -0.16 1.09 -1.25 -1.32 0.00 0.00 175.29 174.02 3cwa s PRO 279 N -0.75 0.73 -0.48 9.60 0.04 -1.26 -5.00 135.00 137.88 3cwa s PRO 279 Ca -0.01 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 3cwa s PRO 279 Cb -0.02 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.82 3cwa s PRO 279 CO -0.00 -2.62 0.67 -0.51 0.04 0.00 0.00 177.00 174.58 3cwa s ASP 280 N -3.16 6.29 -1.07 6.66 1.01 -1.26 -4.96 116.67 120.17 3cwa s ASP 280 Ca 0.65 -0.56 -0.26 0.00 0.71 0.00 0.00 52.55 53.09 3cwa s ASP 280 Cb -0.20 -2.32 -0.18 0.00 1.01 0.00 0.00 42.92 41.23 3cwa s ASP 280 CO 0.59 -0.88 2.10 -1.61 0.21 0.00 0.00 175.17 175.57 3cwa s GLU 281 N 2.90 1.59 0.00 8.23 2.02 -1.26 -5.22 118.70 126.95 3cwa s GLU 281 Ca 0.21 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.77 3cwa s GLU 281 Cb -0.16 -5.03 0.49 0.00 0.10 0.00 0.00 34.13 29.53 3cwa s GLU 281 CO 0.16 -4.95 0.94 0.00 0.02 0.00 0.00 175.26 171.43