#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 3.42 -0.04 2.03 2.02 -0.27 -4.91 117.35 119.60 3cwa s TYR 2 Ca 0.00 1.00 0.03 0.00 -0.37 0.00 0.00 57.07 57.73 3cwa s TYR 2 Cb 0.00 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 3cwa s TYR 2 CO 0.00 0.22 -0.13 0.95 -1.57 0.00 0.00 175.55 175.02 3cwa s THR 3 N -1.86 1.08 0.01 -0.71 -4.23 -1.26 -0.30 115.64 108.37 3cwa s THR 3 Ca 0.49 -0.51 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 3cwa s THR 3 Cb -0.11 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 3cwa s THR 3 CO 0.20 0.33 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.63 3cwa s LEU 4 N 0.20 2.09 0.40 4.79 1.43 0.20 -4.95 118.68 122.84 3cwa s LEU 4 Ca -0.05 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3cwa s LEU 4 Cb -0.11 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3cwa s LEU 4 CO 0.02 0.22 0.62 0.20 0.23 0.00 0.00 176.35 177.64 3cwa s ASN 5 N -0.74 6.12 0.07 2.29 0.02 -1.26 0.58 114.94 122.02 3cwa s ASN 5 Ca 0.08 0.44 -0.15 0.00 -1.02 0.00 0.00 52.86 52.21 3cwa s ASN 5 Cb -0.08 -1.87 0.02 0.00 0.02 0.00 0.00 41.25 39.34 3cwa s ASN 5 CO 0.00 -0.48 0.34 -1.66 0.02 0.00 0.00 177.10 175.32 3cwa s TRP 6 N -2.45 -0.13 -0.18 2.20 -2.14 -1.09 -4.85 118.94 110.29 3cwa s TRP 6 Ca 0.44 -0.08 -0.10 0.00 2.66 0.00 0.00 56.10 59.02 3cwa s TRP 6 Cb -0.10 0.14 -0.05 0.00 -3.10 0.00 0.00 33.47 30.37 3cwa s TRP 6 CO 0.38 -0.58 0.16 -0.65 -2.66 0.00 0.00 176.95 173.60 3cwa s GLN 7 N -3.06 4.10 0.71 3.25 -0.21 -1.26 -4.77 119.66 118.42 3cwa s GLN 7 Ca -0.01 -0.16 -0.11 0.00 0.02 0.00 0.00 55.36 55.09 3cwa s GLN 7 Cb 0.01 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.65 3cwa s GLN 7 CO -0.07 0.35 1.07 -2.14 -2.12 0.00 0.00 175.29 172.39 3cwa s PRO 8 N 0.19 2.75 0.59 2.91 0.02 -1.26 -4.53 135.00 135.67 3cwa s PRO 8 Ca 0.10 1.06 -0.07 0.00 0.02 0.00 0.00 61.00 62.12 3cwa s PRO 8 Cb -0.11 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 3cwa s PRO 8 CO -0.00 -1.25 0.92 -1.25 -0.33 0.00 0.00 177.00 175.09 3cwa s PRO 9 N -4.87 3.11 -0.18 5.54 0.04 -1.26 -4.73 135.00 132.65 3cwa s PRO 9 Ca 0.60 0.19 -0.04 0.00 0.04 0.00 0.00 61.00 61.78 3cwa s PRO 9 Cb -0.15 -2.24 0.08 0.00 0.04 0.00 0.00 34.50 32.23 3cwa s PRO 9 CO 0.53 -0.63 0.19 -0.47 0.04 0.00 0.00 177.00 176.65 3cwa s TYR 10 N -3.01 -0.16 -1.15 0.56 6.14 -1.26 -4.41 117.35 114.05 3cwa s TYR 10 Ca 0.53 0.13 -0.20 0.00 0.64 0.00 0.00 57.07 58.17 3cwa s TYR 10 Cb -0.11 -0.43 0.06 0.00 0.42 0.00 0.00 41.96 41.91 3cwa s TYR 10 CO 0.47 -0.55 1.58 0.34 0.64 0.00 0.00 175.55 178.03 3cwa s ASP 11 N 2.28 6.67 0.30 4.32 -1.08 -0.29 -4.81 116.67 124.05 3cwa s ASP 11 Ca 0.05 -1.95 0.03 0.00 -0.52 0.00 0.00 52.55 50.17 3cwa s ASP 11 Cb -0.15 -2.57 0.46 0.00 -1.46 0.00 0.00 42.92 39.20 3cwa s ASP 11 CO -0.11 -1.33 1.76 -0.50 0.52 0.00 0.00 175.17 175.51 3cwa h TRP 12 N 8.70 0.52 -0.14 -5.34 4.06 -1.98 -2.32 115.95 119.45 3cwa h TRP 12 Ca 0.32 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 61.18 3cwa h TRP 12 Cb 0.94 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 3cwa h TRP 12 CO 1.35 0.65 0.05 0.77 -3.56 0.00 0.00 178.44 177.70 3cwa h SER 13 N 0.42 0.07 0.39 -3.49 0.02 -1.93 -0.34 113.55 108.69 3cwa h SER 13 Ca 0.07 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3cwa h SER 13 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3cwa h SER 13 CO 0.04 0.06 -0.19 -0.25 -1.14 0.00 0.00 176.83 175.35 3cwa h TRP 14 N 0.13 -0.50 -0.20 3.45 7.01 -1.94 0.26 115.95 124.16 3cwa h TRP 14 Ca 0.06 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.10 3cwa h TRP 14 Cb 0.03 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.19 3cwa h TRP 14 CO -0.10 -0.31 -0.18 1.98 -2.79 0.00 0.00 178.44 177.04 3cwa h MET 15 N -0.53 -0.19 -0.07 2.65 4.05 -1.25 0.30 114.93 119.89 3cwa h MET 15 Ca -0.05 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 3cwa h MET 15 Cb 0.41 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 3cwa h MET 15 CO 0.08 -0.12 -0.23 -0.07 0.23 0.00 0.00 176.91 176.80 3cwa h LEU 16 N -0.19 0.12 -0.54 3.39 3.38 -1.04 -1.44 115.31 118.98 3cwa h LEU 16 Ca 0.12 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3cwa h LEU 16 Cb 0.38 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3cwa h LEU 16 CO -0.32 0.36 0.05 1.23 0.09 0.00 0.00 178.44 179.85 3cwa h GLY 17 N 0.84 0.99 0.89 0.83 0.00 0.70 0.25 103.07 107.56 3cwa h GLY 17 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 3cwa h GLY 17 CO 0.03 0.64 0.04 -2.75 0.00 0.00 0.00 176.54 174.50 3cwa h PHE 18 N 0.80 0.55 -0.29 5.60 3.04 0.09 -2.50 116.94 124.23 3cwa h PHE 18 Ca 0.16 -0.08 -0.16 0.00 3.98 0.00 0.00 57.97 61.87 3cwa h PHE 18 Cb 0.46 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 3cwa h PHE 18 CO 0.03 0.61 -0.45 -0.07 -2.02 0.00 0.00 178.31 176.41 3cwa h LEU 19 N 0.33 0.80 -0.72 0.59 3.38 -1.16 -3.13 115.31 115.41 3cwa h LEU 19 Ca 0.09 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3cwa h LEU 19 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3cwa h LEU 19 CO 0.01 1.13 0.33 0.00 0.09 0.00 0.00 178.44 180.00 3cwa h ALA 20 N 0.90 0.93 0.00 1.53 0.00 -0.45 0.55 119.26 122.71 3cwa h ALA 20 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3cwa h ALA 20 Cb 1.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3cwa h ALA 20 CO 0.10 0.51 -0.12 0.00 0.00 0.00 0.00 179.25 179.74 3cwa h ALA 21 N 1.16 1.58 -0.49 0.00 0.00 -1.44 -2.28 119.26 117.80 3cwa h ALA 21 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3cwa h ALA 21 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cwa h ALA 21 CO -0.03 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.91 3cwa n ARG 22 N -4.07 2.62 -1.81 0.00 1.74 -0.78 -4.60 116.66 109.76 3cwa n ARG 22 Ca -0.02 -2.28 -0.41 0.00 -0.77 0.00 0.00 57.85 54.37 3cwa n ARG 22 Cb 0.20 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.06 3.65 -0.27 7.54 0.00 0.11 -4.84 121.76 126.90 3cwa s ALA 23 Ca 0.35 1.55 -0.09 0.00 0.00 0.00 0.00 51.96 53.77 3cwa s ALA 23 Cb 0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3cwa s ALA 23 CO 0.25 -0.99 0.13 0.08 0.00 0.00 0.00 175.76 175.22 3cwa s VAL 24 N -0.55 4.73 0.32 0.00 1.01 -1.26 -4.86 120.40 119.79 3cwa s VAL 24 Ca 0.58 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 3cwa s VAL 24 Cb -0.47 -3.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 3cwa s VAL 24 CO 0.55 0.27 1.40 -1.20 0.00 0.00 0.00 175.10 176.12 3cwa n SER 25 N 4.98 3.12 0.00 3.32 7.64 -1.26 -0.83 113.62 130.59 3cwa n SER 25 Ca -0.15 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.92 3cwa n SER 25 Cb 0.51 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 1.24 0.00 -0.09 6.43 7.64 -1.26 -4.75 113.62 122.83 3cwa n SER 26 Ca 0.06 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 3cwa n SER 26 Cb 0.36 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.00 1.11 -4.13 0.44 0.31 -0.01 0.19 118.33 114.25 3cwa n VAL 27 Ca 0.00 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.01 3cwa n VAL 27 Cb 0.00 -1.83 -0.11 0.00 -0.91 0.00 0.00 33.84 30.99 3cwa n VAL 27 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3cwa s GLU 28 N -2.40 0.70 -0.06 5.55 -1.05 -0.31 -1.51 118.70 119.62 3cwa s GLU 28 Ca -0.25 -0.93 0.05 0.00 -0.15 0.00 0.00 54.97 53.69 3cwa s GLU 28 Cb 0.09 -0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 33.26 3cwa s GLU 28 CO 0.32 0.10 -0.23 0.99 0.95 0.00 0.00 175.26 177.39 3cwa s THR 29 N -1.68 1.93 -0.07 1.83 2.01 0.46 -4.52 115.64 115.60 3cwa s THR 29 Ca -0.03 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.00 3cwa s THR 29 Cb -0.08 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.80 3cwa s THR 29 CO 0.01 0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 3cwa s VAL 30 N 0.00 0.88 0.35 3.82 1.01 -1.26 -0.04 120.40 125.16 3cwa s VAL 30 Ca -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3cwa s VAL 30 Cb -0.14 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3cwa s VAL 30 CO 0.05 0.31 0.11 0.00 0.00 0.00 0.00 175.10 175.56 3cwa n ALA 31 N 4.15 0.46 -0.16 5.51 0.00 0.26 -4.96 120.51 125.76 3cwa n ALA 31 Ca -0.21 -1.72 -0.08 0.00 0.00 0.00 0.00 53.44 51.43 3cwa n ALA 31 Cb 0.51 1.13 0.07 0.00 0.00 0.00 0.00 19.45 21.17 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 1.30 0.93 -0.01 0.00 3.45 -2.00 -3.23 116.42 116.86 3cwa h ASP 32 Ca -0.27 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 56.92 3cwa h ASP 32 Cb 1.00 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3cwa h ASP 32 CO 0.43 1.01 -0.59 -1.54 -1.57 0.00 0.00 179.24 176.98 3cwa n SER 33 N -4.18 1.77 -3.34 6.45 3.41 -1.26 -4.96 113.62 111.51 3cwa n SER 33 Ca 0.02 -1.39 -0.08 0.00 -0.26 0.00 0.00 58.87 57.17 3cwa n SER 33 Cb 0.35 0.60 0.01 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.57 -0.01 -0.01 7.33 1.13 -1.22 -4.12 117.35 117.88 3cwa s TYR 34 Ca 0.16 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.27 3cwa s TYR 34 Cb 0.17 0.78 0.00 0.00 -1.10 0.00 0.00 41.96 41.81 3cwa s TYR 34 CO 0.63 -1.38 -0.02 -0.47 -2.51 0.00 0.00 175.55 171.79 3cwa s TYR 35 N -2.97 0.28 -0.06 -3.49 5.04 -0.27 -0.58 117.35 115.30 3cwa s TYR 35 Ca 0.14 -0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.62 3cwa s TYR 35 Cb -0.05 -0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.06 3cwa s TYR 35 CO 0.09 -0.03 0.26 0.00 -1.34 0.00 0.00 175.55 174.54 3cwa s ALA 36 N 0.14 -0.66 0.20 3.97 0.00 0.94 0.06 121.76 126.42 3cwa s ALA 36 Ca -0.01 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 3cwa s ALA 36 Cb -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.91 3cwa s ALA 36 CO -0.00 -0.18 0.70 -0.98 0.00 0.00 0.00 175.76 175.29 3cwa s ARG 37 N -0.49 1.47 0.55 0.00 1.70 -0.74 0.17 118.95 121.62 3cwa s ARG 37 Ca -0.06 -0.71 -0.17 0.00 -0.47 0.00 0.00 55.73 54.32 3cwa s ARG 37 Cb -0.04 0.57 -0.06 0.00 -0.57 0.00 0.00 34.95 34.86 3cwa s ARG 37 CO 0.02 -0.66 1.04 -1.54 -1.08 0.00 0.00 175.30 173.08 3cwa s SER 38 N -2.82 6.06 -0.12 -2.89 1.04 -0.57 -0.61 113.70 113.78 3cwa s SER 38 Ca 0.07 1.82 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 3cwa s SER 38 Cb -0.03 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.59 3cwa s SER 38 CO -0.03 -0.98 0.29 -0.22 0.98 0.00 0.00 173.24 173.29 3cwa s LEU 39 N -4.14 0.55 -0.10 2.42 2.96 -0.24 -4.82 118.68 115.30 3cwa s LEU 39 Ca 0.64 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 3cwa s LEU 39 Cb -0.15 0.95 0.01 0.00 0.50 0.00 0.00 46.19 47.50 3cwa s LEU 39 CO 0.31 -0.14 -0.16 0.00 -1.32 0.00 0.00 176.35 175.04 3cwa s ALA 40 N 0.78 1.70 -0.36 5.97 0.00 -1.26 -2.22 121.76 126.37 3cwa s ALA 40 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3cwa s ALA 40 Cb -0.06 -0.79 0.12 0.00 0.00 0.00 0.00 23.12 22.39 3cwa s ALA 40 CO -0.05 0.01 0.17 0.08 0.00 0.00 0.00 175.76 175.97 3cwa s VAL 41 N 0.83 0.84 0.00 0.00 1.01 -0.67 -5.02 120.40 117.40 3cwa s VAL 41 Ca -0.10 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.08 3cwa s VAL 41 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3cwa s VAL 41 CO 0.01 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 174.90 3cwa n GLY 42 N 4.28 1.32 1.03 4.51 0.00 -1.26 -2.43 105.19 112.64 3cwa n GLY 42 Ca 0.04 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 12.62 2.32 -3.47 1.61 -0.58 -1.26 -4.87 120.64 127.01 3cwa n GLU 43 Ca 0.00 -2.02 -0.37 0.00 -0.42 0.00 0.00 57.16 54.35 3cwa n GLU 43 Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.33 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 -1.42 3.52 0.09 -0.32 2.02 -1.02 -5.08 117.35 115.15 3cwa s TYR 44 Ca 0.38 0.75 0.01 0.00 -0.37 0.00 0.00 57.07 57.85 3cwa s TYR 44 Cb 0.21 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3cwa s TYR 44 CO 0.29 0.29 -0.06 1.03 -1.57 0.00 0.00 175.55 175.53 3cwa s ARG 45 N 0.24 0.80 0.00 -0.62 0.52 -1.23 -1.66 118.95 117.00 3cwa s ARG 45 Ca 0.21 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 3cwa s ARG 45 Cb -0.14 -0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.16 3cwa s ARG 45 CO 0.07 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.78 3cwa n GLY 46 N 0.02 -0.68 3.25 -3.53 0.00 -0.94 -3.69 105.19 99.62 3cwa n GLY 46 Ca -0.13 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 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 2.03 -0.10 1.61 1.01 -1.26 -1.08 120.40 119.61 3cwa s VAL 47 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3cwa s VAL 47 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3cwa s VAL 47 CO 0.00 0.56 0.01 -0.69 0.00 0.00 0.00 175.10 174.98 3cwa s VAL 48 N -0.01 4.35 -0.07 2.92 1.01 0.22 -1.72 120.40 127.10 3cwa s VAL 48 Ca -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3cwa s VAL 48 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3cwa s VAL 48 CO 0.05 0.59 -0.07 -0.89 0.00 0.00 0.00 175.10 174.78 3cwa s THR 49 N -0.76 0.83 -0.15 3.92 2.01 -0.42 -1.79 115.64 119.28 3cwa s THR 49 Ca 0.12 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3cwa s THR 49 Cb -0.12 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 3cwa s THR 49 CO 0.02 0.30 -0.16 0.00 -0.69 0.00 0.00 174.62 174.10 3cwa s ALA 50 N 1.12 2.47 -0.21 7.40 0.00 0.11 -0.95 121.76 131.70 3cwa s ALA 50 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3cwa s ALA 50 Cb -0.14 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.84 3cwa s ALA 50 CO -0.01 -0.02 -0.05 0.42 0.00 0.00 0.00 175.76 176.09 3cwa s ILE 51 N 0.80 1.37 0.34 0.00 1.01 0.14 -1.11 121.20 123.75 3cwa s ILE 51 Ca -0.06 -1.02 -0.27 0.00 0.00 0.00 0.00 60.65 59.31 3cwa s ILE 51 Cb -0.15 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.61 3cwa s ILE 51 CO -0.00 -0.03 1.09 -2.16 0.00 0.00 0.00 174.94 173.84 3cwa s PRO 52 N 1.48 4.38 -0.39 2.79 0.04 -1.26 -0.81 135.00 141.24 3cwa s PRO 52 Ca -0.03 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.74 3cwa s PRO 52 Cb -0.18 -2.88 0.11 0.00 0.04 0.00 0.00 34.50 31.59 3cwa s PRO 52 CO -0.07 0.00 0.12 0.34 0.04 0.00 0.00 177.00 177.43 3cwa s ASP 53 N -1.15 4.81 0.34 6.66 3.68 0.11 -4.92 116.67 126.20 3cwa s ASP 53 Ca 0.51 -2.28 0.07 0.00 2.13 0.00 0.00 52.55 52.98 3cwa s ASP 53 Cb -0.28 -1.67 0.63 0.00 -1.45 0.00 0.00 42.92 40.15 3cwa s ASP 53 CO 0.36 -0.39 1.84 0.40 0.13 0.00 0.00 175.17 177.52 3cwa h ILE 54 N 6.37 1.22 -0.51 4.11 1.08 -1.95 -1.82 117.51 126.00 3cwa h ILE 54 Ca -0.06 -0.97 0.06 0.00 -0.39 0.00 0.00 64.86 63.50 3cwa h ILE 54 Cb 1.00 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.94 3cwa h ILE 54 CO 0.58 0.31 0.22 0.00 -0.69 0.00 0.00 178.15 178.57 3cwa h ALA 55 N 1.52 0.65 -0.41 1.87 0.00 -1.95 -3.14 119.26 117.79 3cwa h ALA 55 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cwa h ALA 55 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3cwa h ALA 55 CO 0.03 -0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.02 3cwa n ARG 56 N -4.94 2.94 -3.43 0.00 1.85 -1.19 -4.99 116.66 106.90 3cwa n ARG 56 Ca 0.05 -2.31 -0.18 0.00 -1.00 0.00 0.00 57.85 54.42 3cwa n ARG 56 Cb 0.18 -1.44 0.07 0.00 -1.05 0.00 0.00 32.46 30.22 3cwa n ARG 56 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3cwa n HIS 57 N 0.58 -2.21 -4.04 2.89 8.25 -0.76 -4.95 115.22 114.97 3cwa n HIS 57 Ca 0.16 0.88 -0.09 0.00 -0.26 0.00 0.00 57.72 58.41 3cwa n HIS 57 Cb 0.55 -4.67 -0.09 0.00 1.12 0.00 0.00 29.99 26.91 3cwa n HIS 57 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3cwa s THR 58 N -3.42 0.12 -0.08 1.59 -1.32 -0.76 -2.68 115.64 109.09 3cwa s THR 58 Ca 0.14 -1.65 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 3cwa s THR 58 Cb -0.02 -1.78 0.01 0.00 -1.51 0.00 0.00 72.50 69.20 3cwa s THR 58 CO 0.75 -0.56 -0.19 -0.22 -2.21 0.00 0.00 174.62 172.19 3cwa s LEU 59 N -2.97 1.89 -0.18 9.08 2.96 0.20 0.09 118.68 129.75 3cwa s LEU 59 Ca 0.16 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.53 3cwa s LEU 59 Cb 0.06 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 3cwa s LEU 59 CO -0.03 0.11 0.16 -1.00 -1.32 0.00 0.00 176.35 174.27 3cwa s HIS 60 N 0.46 3.45 -0.14 5.38 3.76 0.01 -0.63 115.29 127.58 3cwa s HIS 60 Ca -0.16 0.41 0.02 0.00 -0.15 0.00 0.00 55.06 55.17 3cwa s HIS 60 Cb -0.17 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.36 3cwa s HIS 60 CO 0.06 0.34 -0.20 0.42 -0.85 0.00 0.00 174.74 174.51 3cwa s ILE 61 N 0.20 2.23 -0.11 0.60 -1.09 0.59 -0.68 121.20 122.93 3cwa s ILE 61 Ca 0.11 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 3cwa s ILE 61 Cb -0.12 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 3cwa s ILE 61 CO -0.00 0.54 -0.16 0.21 -1.23 0.00 0.00 174.94 174.30 3cwa s ASN 62 N 0.76 3.82 -0.09 3.58 2.47 -0.12 -1.11 114.94 124.24 3cwa s ASN 62 Ca -0.08 -0.36 0.02 0.00 0.42 0.00 0.00 52.86 52.86 3cwa s ASN 62 Cb -0.16 -1.47 -0.02 0.00 -1.45 0.00 0.00 41.25 38.15 3cwa s ASN 62 CO -0.00 0.19 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.66 3cwa s LEU 63 N 0.22 2.70 0.69 3.21 1.43 -1.26 -1.30 118.68 124.37 3cwa s LEU 63 Ca -0.10 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 3cwa s LEU 63 Cb -0.16 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3cwa s LEU 63 CO 0.06 0.24 1.16 -0.94 0.23 0.00 0.00 176.35 177.10 3cwa s SER 64 N -0.11 4.66 0.37 2.29 1.04 -0.70 -4.86 113.70 116.39 3cwa s SER 64 Ca -0.02 2.19 0.19 0.00 0.48 0.00 0.00 55.95 58.80 3cwa s SER 64 Cb -0.14 -2.57 1.18 0.00 0.10 0.00 0.00 66.02 64.59 3cwa s SER 64 CO 0.04 -1.94 1.66 0.00 0.98 0.00 0.00 173.24 173.97 3cwa h ALA 65 N -0.08 2.17 0.00 5.32 0.00 -1.92 -1.00 119.26 123.75 3cwa h ALA 65 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3cwa h ALA 65 Cb 1.27 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3cwa h ALA 65 CO 0.52 -0.78 0.00 0.78 0.00 0.00 0.00 179.25 179.77 3cwa h GLY 66 N 0.26 0.00 -1.34 0.00 0.00 -1.91 -2.97 103.07 97.11 3cwa h GLY 66 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.08 3cwa h GLY 66 CO -0.54 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.04 3cwa n LEU 67 N -2.46 2.43 -0.24 3.11 4.77 -0.38 -3.54 117.00 120.68 3cwa n LEU 67 Ca -0.01 -1.10 -0.05 0.00 -0.03 0.00 0.00 56.01 54.82 3cwa n LEU 67 Cb 0.10 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3cwa n LEU 67 CO 0.15 0.46 1.15 -0.33 -1.33 0.00 0.00 177.39 177.49 3cwa h GLU 68 N 3.12 0.87 -0.51 3.23 4.39 -1.63 -2.31 114.58 121.74 3cwa h GLU 68 Ca 0.00 -0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.80 3cwa h GLU 68 Cb 0.68 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3cwa h GLU 68 CO 0.00 0.58 0.48 -1.35 -1.16 0.00 0.00 179.01 177.56 3cwa h PRO 69 N 0.90 0.00 -0.54 2.33 0.11 -1.82 -0.20 132.00 132.78 3cwa h PRO 69 Ca 0.26 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.98 3cwa h PRO 69 Cb -0.08 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 30.68 3cwa h PRO 69 CO -0.07 0.00 -0.83 1.33 -0.21 0.00 0.00 178.00 178.22 3cwa n VAL 70 N -3.85 2.15 0.02 3.15 0.24 -0.99 -4.89 118.33 114.16 3cwa n VAL 70 Ca 0.10 -3.69 -0.11 0.00 -2.04 0.00 0.00 64.34 58.60 3cwa n VAL 70 Cb 0.69 -0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.54 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 2.00 -0.39 -0.92 2.33 0.00 -0.48 -2.49 119.26 119.31 3cwa h ALA 71 Ca 0.19 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.29 3cwa h ALA 71 Cb 1.42 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 19.68 3cwa h ALA 71 CO 0.50 -0.80 0.49 0.00 0.00 0.00 0.00 179.25 179.45 3cwa h ALA 72 N 0.38 1.46 -0.13 0.00 0.00 -1.89 0.22 119.26 119.30 3cwa h ALA 72 Ca 0.08 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3cwa h ALA 72 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3cwa h ALA 72 CO -0.31 -0.13 -0.47 1.49 0.00 0.00 0.00 179.25 179.83 3cwa h GLU 73 N 0.62 0.33 -0.29 0.00 4.81 -1.89 -0.19 114.58 117.97 3cwa h GLU 73 Ca 0.53 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3cwa h GLU 73 Cb 0.84 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3cwa h GLU 73 CO -0.41 0.73 0.10 0.00 -0.73 0.00 0.00 179.01 178.70 3cwa h LEU 75 N 0.31 0.54 -0.79 0.00 3.38 -0.35 -0.97 115.31 117.42 3cwa h LEU 75 Ca 0.09 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3cwa h LEU 75 Cb 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3cwa h LEU 75 CO -0.00 0.35 0.19 0.00 0.09 0.00 0.00 178.44 179.06 3cwa h ALA 76 N 1.35 1.02 -0.78 1.53 0.00 -0.61 -0.79 119.26 120.98 3cwa h ALA 76 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3cwa h ALA 76 Cb 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3cwa h ALA 76 CO -0.19 0.65 0.39 0.87 0.00 0.00 0.00 179.25 180.97 3cwa h LYS 77 N 1.05 1.11 -0.45 0.00 1.57 0.10 -1.90 116.57 118.06 3cwa h LYS 77 Ca 0.22 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 3cwa h LYS 77 Cb 0.33 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3cwa h LYS 77 CO -0.00 0.86 -0.12 0.52 -0.57 0.00 0.00 179.45 180.14 3cwa h MET 78 N 1.09 0.83 -0.06 3.15 2.86 -0.77 -2.17 114.93 119.87 3cwa h MET 78 Ca 0.27 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3cwa h MET 78 Cb 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3cwa h MET 78 CO -0.04 0.91 -0.27 0.66 1.06 0.00 0.00 176.91 179.23 3cwa h SER 79 N 0.75 0.09 0.28 1.22 4.64 -0.59 -1.19 113.55 118.74 3cwa h SER 79 Ca 0.12 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.18 3cwa h SER 79 Cb 0.62 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3cwa h SER 79 CO 0.04 0.37 -0.99 0.03 -0.87 0.00 0.00 176.83 175.40 3cwa h ARG 80 N 0.09 0.47 -0.57 4.77 3.08 -1.16 -2.07 114.38 118.99 3cwa h ARG 80 Ca 0.01 -0.53 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 3cwa h ARG 80 Cb 0.52 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3cwa h ARG 80 CO 0.04 1.17 -0.03 1.25 -1.07 0.00 0.00 179.97 181.33 3cwa h LEU 81 N 0.26 1.01 -2.26 3.04 5.85 -1.01 -3.16 115.31 119.04 3cwa h LEU 81 Ca -0.10 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3cwa h LEU 81 Cb 1.64 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3cwa h LEU 81 CO 0.18 1.09 0.00 0.49 -0.34 0.00 0.00 178.44 179.85 3cwa n PHE 82 N -4.20 0.68 -3.95 1.25 3.72 -0.48 -1.83 117.46 112.65 3cwa n PHE 82 Ca 0.02 -0.34 -0.29 0.00 -0.05 0.00 0.00 57.45 56.79 3cwa n PHE 82 Cb 0.36 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.35 -3.35 0.31 4.37 2.03 -0.81 -4.84 116.55 115.61 3cwa n ASP 83 Ca 0.20 -0.86 0.18 0.00 0.52 0.00 0.00 54.79 54.83 3cwa n ASP 83 Cb 0.55 -3.59 1.02 0.00 -0.72 0.00 0.00 41.12 38.38 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 -1.91 0.00 -1.24 -2.67 3.38 -1.81 -2.39 115.31 108.67 3cwa h LEU 84 Ca -0.59 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 3cwa h LEU 84 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3cwa h LEU 84 CO 0.67 0.00 -0.28 0.06 0.09 0.00 0.00 178.44 178.98 3cwa h GLN 85 N 0.00 0.00 -6.39 1.13 -0.00 -1.89 -3.40 115.11 104.56 3cwa h GLN 85 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.02 3cwa h GLN 85 Cb 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 27.48 27.57 3cwa h GLN 85 CO -0.00 0.28 0.47 0.00 -0.00 0.00 0.00 178.83 179.58 3cwa s ASN 87 N 0.33 5.37 0.59 0.00 3.84 -1.26 -4.45 114.94 119.36 3cwa s ASN 87 Ca 0.76 -2.50 0.29 0.00 0.21 0.00 0.00 52.86 51.61 3cwa s ASN 87 Cb -0.81 -1.88 1.49 0.00 -0.55 0.00 0.00 41.25 39.49 3cwa s ASN 87 CO 0.48 -0.47 1.90 1.55 -2.79 0.00 0.00 177.10 177.78 3cwa h PRO 88 N 7.52 0.00 -0.37 0.43 0.13 -1.85 -1.75 132.00 136.10 3cwa h PRO 88 Ca -0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.92 3cwa h PRO 88 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3cwa h PRO 88 CO 0.73 0.00 -0.32 1.96 -0.23 0.00 0.00 178.00 180.14 3cwa h GLN 89 N 0.00 0.87 0.16 0.86 7.50 -1.92 -0.53 115.11 122.05 3cwa h GLN 89 Ca 0.20 -0.44 -0.01 0.00 0.50 0.00 0.00 58.65 58.90 3cwa h GLN 89 Cb 1.13 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.66 3cwa h GLN 89 CO -0.00 1.09 -0.08 0.82 -1.50 0.00 0.00 178.83 179.16 3cwa h ILE 90 N 0.67 0.96 0.11 2.54 2.04 -1.75 0.39 117.51 122.47 3cwa h ILE 90 Ca 0.06 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3cwa h ILE 90 Cb 0.90 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3cwa h ILE 90 CO 0.08 0.13 -0.09 0.58 0.00 0.00 0.00 178.15 178.85 3cwa h VAL 91 N -0.49 0.80 0.00 1.67 2.07 -1.55 -1.70 116.25 117.05 3cwa h VAL 91 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3cwa h VAL 91 Cb 0.38 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3cwa h VAL 91 CO 0.04 0.00 -0.15 0.78 0.02 0.00 0.00 177.57 178.26 3cwa h ASN 92 N -0.21 0.00 -0.38 0.57 -0.26 -1.11 0.17 115.58 114.37 3cwa h ASN 92 Ca -0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 3cwa h ASN 92 Cb 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 3cwa h ASN 92 CO -0.01 0.15 -0.39 1.23 -1.06 0.00 0.00 177.43 177.35 3cwa h GLY 93 N 1.52 1.01 0.76 2.83 0.00 0.32 -2.89 103.07 106.62 3cwa h GLY 93 Ca -0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 47.33 46.13 3cwa h GLY 93 CO 0.02 0.94 -0.66 0.00 0.00 0.00 0.00 176.54 176.84 3cwa h ALA 94 N 0.76 0.03 0.00 3.60 0.00 -0.64 -3.31 119.26 119.70 3cwa h ALA 94 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3cwa h ALA 94 Cb 0.98 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cwa h ALA 94 CO 0.10 0.35 0.00 -0.07 0.00 0.00 0.00 179.25 179.63 3cwa h LEU 95 N -0.18 0.00 0.00 0.00 3.38 -0.76 -3.49 115.31 114.26 3cwa h LEU 95 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3cwa h LEU 95 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3cwa h LEU 95 CO 0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3cwa n GLY 96 N -0.28 1.88 0.32 0.83 0.00 -1.09 -2.78 105.19 104.08 3cwa n GLY 96 Ca 0.00 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.86 1.61 0.11 -1.93 -2.88 114.38 110.43 3cwa h ARG 97 Ca 0.00 0.00 0.16 0.00 0.10 0.00 0.00 59.98 60.24 3cwa h ARG 97 Cb 0.00 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.98 3cwa h ARG 97 CO 0.00 0.00 0.42 1.25 0.10 0.00 0.00 179.97 181.74 3cwa h LEU 98 N 0.00 0.48 -3.16 0.08 5.85 -1.92 -2.17 115.31 114.46 3cwa h LEU 98 Ca 0.06 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3cwa h LEU 98 Cb 0.33 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3cwa h LEU 98 CO -0.00 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.88 3cwa n GLY 99 N -1.33 3.62 0.18 3.75 0.00 -1.09 -4.58 105.19 105.75 3cwa n GLY 99 Ca 0.18 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.38 3cwa n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwa h ALA 100 N 1.98 1.29 -0.00 4.61 0.00 -1.41 -2.97 119.26 122.76 3cwa h ALA 100 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3cwa h ALA 100 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3cwa h ALA 100 CO 0.17 0.51 -0.58 0.00 0.00 0.00 0.00 179.25 179.35 3cwa h ALA 101 N 1.59 1.04 -2.06 0.00 0.00 -1.81 -3.37 119.26 114.65 3cwa h ALA 101 Ca -0.00 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 3cwa h ALA 101 Cb 0.74 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.05 3cwa h ALA 101 CO 0.05 0.72 -1.08 0.54 0.00 0.00 0.00 179.25 179.48 3cwa n ARG 102 N -3.85 0.63 0.09 0.00 1.74 -1.16 -4.97 116.66 109.14 3cwa n ARG 102 Ca -0.01 -3.22 0.07 0.00 -0.77 0.00 0.00 57.85 53.91 3cwa n ARG 102 Cb 0.58 -1.30 0.34 0.00 -1.02 0.00 0.00 32.46 31.07 3cwa n ARG 102 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cwa n PRO 103 N 1.65 0.08 -0.05 5.56 -0.04 -1.13 -2.21 135.00 138.87 3cwa n PRO 103 Ca 0.23 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 3cwa n PRO 103 Cb 0.52 -1.74 0.35 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.10 0.54 3.67 0.55 0.00 -1.26 -4.66 105.19 102.93 3cwa n GLY 104 Ca -0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 0.66 3.10 -4.38 0.99 -0.00 -0.94 -1.14 117.00 115.30 3cwa n LEU 105 Ca 0.17 1.16 -0.19 0.00 -0.00 0.00 0.00 56.01 57.15 3cwa n LEU 105 Cb 0.44 -1.43 -0.10 0.00 -0.00 0.00 0.00 43.42 42.33 3cwa n LEU 105 CO 0.15 -0.54 -0.34 -0.13 -0.00 0.00 0.00 177.39 176.53 3cwa s ARG 106 N -0.73 1.44 -0.42 1.96 1.81 -1.26 -4.92 118.95 116.82 3cwa s ARG 106 Ca 0.65 -1.73 -0.20 0.00 -1.72 0.00 0.00 55.73 52.74 3cwa s ARG 106 Cb -0.64 -0.87 0.02 0.00 -0.45 0.00 0.00 34.95 33.02 3cwa s ARG 106 CO 0.52 -0.04 0.59 -1.17 -0.68 0.00 0.00 175.30 174.53 3cwa s LEU 107 N -3.37 4.56 -0.11 2.53 0.20 -1.26 -5.01 118.68 116.21 3cwa s LEU 107 Ca 0.29 -0.37 -0.29 0.00 0.69 0.00 0.00 54.13 54.45 3cwa s LEU 107 Cb 0.05 -2.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.12 3cwa s LEU 107 CO 0.10 -0.71 1.63 -2.84 -0.29 0.00 0.00 176.35 174.24 3cwa s PRO 108 N 2.63 4.06 0.00 0.98 0.02 -1.26 -4.25 135.00 137.18 3cwa s PRO 108 Ca 0.20 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3cwa s PRO 108 Cb -0.15 -3.99 0.00 0.00 0.02 0.00 0.00 34.50 30.38 3cwa s PRO 108 CO 0.17 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 3cwa n GLY 109 N 4.27 0.90 3.73 0.52 0.00 -0.76 -4.62 105.19 109.22 3cwa n GLY 109 Ca 0.18 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.46 0.00 -3.55 0.00 3.14 -1.26 -3.54 118.33 112.66 3cwa n VAL 111 Ca -0.04 -0.35 -0.01 0.00 -2.96 0.00 0.00 64.34 60.98 3cwa n VAL 111 Cb 0.60 1.17 -0.05 0.00 -1.06 0.00 0.00 33.84 34.50 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 -1.77 -0.69 0.29 6.55 2.15 -1.26 -4.93 116.67 117.01 3cwa s ASP 112 Ca 0.12 1.02 -0.02 0.00 0.43 0.00 0.00 52.55 54.10 3cwa s ASP 112 Cb 0.12 1.58 0.42 0.00 -0.30 0.00 0.00 42.92 44.74 3cwa s ASP 112 CO 0.37 -0.15 1.91 0.00 -0.17 0.00 0.00 175.17 177.12 3cwa h ALA 113 N 7.04 1.32 0.67 3.66 0.00 -1.80 -1.06 119.26 129.10 3cwa h ALA 113 Ca -0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3cwa h ALA 113 Cb 1.15 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.66 3cwa h ALA 113 CO 0.13 0.55 -0.33 0.35 0.00 0.00 0.00 179.25 179.94 3cwa h PHE 114 N 1.00 -0.87 -0.72 0.00 3.57 -1.92 0.26 116.94 118.25 3cwa h PHE 114 Ca 0.25 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.88 3cwa h PHE 114 Cb 0.05 0.29 -0.10 0.00 2.79 0.00 0.00 35.95 38.98 3cwa h PHE 114 CO 0.01 -0.54 0.22 1.49 -2.23 0.00 0.00 178.31 177.26 3cwa h GLU 115 N -0.92 0.32 -0.25 1.11 4.81 -1.88 0.37 114.58 118.14 3cwa h GLU 115 Ca -0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3cwa h GLU 115 Cb 0.71 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3cwa h GLU 115 CO 0.14 0.21 -0.08 0.37 -0.73 0.00 0.00 179.01 178.93 3cwa h GLN 116 N 0.33 0.40 -0.16 1.92 5.75 -0.82 -0.78 115.11 121.75 3cwa h GLN 116 Ca 0.40 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 3cwa h GLN 116 Cb 0.65 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3cwa h GLN 116 CO -0.46 0.49 0.06 0.78 -2.65 0.00 0.00 178.83 177.06 3cwa h GLY 117 N 0.81 0.27 0.85 2.39 0.00 0.32 -0.30 103.07 107.41 3cwa h GLY 117 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3cwa h GLY 117 CO 0.02 0.14 0.56 -2.08 0.00 0.00 0.00 176.54 175.18 3cwa h VAL 118 N 0.09 1.12 -0.20 4.60 2.07 -0.48 -1.11 116.25 122.35 3cwa h VAL 118 Ca 0.05 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3cwa h VAL 118 Cb 0.20 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3cwa h VAL 118 CO -0.00 0.20 -0.28 0.03 0.02 0.00 0.00 177.57 177.53 3cwa h ARG 119 N 1.08 0.38 -0.39 1.57 3.08 -0.92 0.18 114.38 119.36 3cwa h ARG 119 Ca 0.36 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3cwa h ARG 119 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3cwa h ARG 119 CO -0.13 0.63 -0.01 0.00 -1.07 0.00 0.00 179.97 179.39 3cwa h ALA 120 N 1.38 0.53 -0.16 0.04 0.00 -0.23 -2.04 119.26 118.78 3cwa h ALA 120 Ca 0.05 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3cwa h ALA 120 Cb 0.67 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3cwa h ALA 120 CO 0.05 0.32 -0.17 0.82 0.00 0.00 0.00 179.25 180.26 3cwa h ILE 121 N 0.52 1.35 0.00 0.00 2.04 -0.95 -3.08 117.51 117.40 3cwa h ILE 121 Ca 0.11 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3cwa h ILE 121 Cb 0.49 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3cwa h ILE 121 CO 0.02 0.40 0.00 0.18 0.00 0.00 0.00 178.15 178.75 3cwa n LEU 122 N -4.51 0.37 -1.54 1.44 4.77 0.61 -2.20 117.00 115.93 3cwa n LEU 122 Ca -0.06 0.60 0.10 0.00 -0.03 0.00 0.00 56.01 56.62 3cwa n LEU 122 Cb 0.38 -0.56 0.35 0.00 -2.33 0.00 0.00 43.42 41.27 3cwa n LEU 122 CO 0.40 -0.46 0.81 0.61 -1.33 0.00 0.00 177.39 177.42 3cwa n GLY 123 N -0.13 2.73 3.73 -0.72 0.00 -0.77 -4.63 105.19 105.39 3cwa n GLY 123 Ca 0.02 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.71 4.64 -1.05 1.61 -0.21 -0.94 -3.84 119.66 118.17 3cwa s GLN 124 Ca 0.51 1.59 -0.04 0.00 0.02 0.00 0.00 55.36 57.45 3cwa s GLN 124 Cb 0.32 -3.32 0.03 0.00 1.00 0.00 0.00 33.01 31.03 3cwa s GLN 124 CO 0.26 0.14 0.20 -0.11 -2.12 0.00 0.00 175.29 173.66 3cwa n LEU 125 N 2.58 -1.21 -4.21 2.90 7.94 -1.26 -4.94 117.00 118.79 3cwa n LEU 125 Ca 0.03 -0.01 -0.13 0.00 -1.11 0.00 0.00 56.01 54.79 3cwa n LEU 125 Cb 0.47 -2.04 -0.10 0.00 0.53 0.00 0.00 43.42 42.29 3cwa n LEU 125 CO 0.53 -0.00 -0.22 0.68 -1.11 0.00 0.00 177.39 177.26 3cwa s VAL 126 N -2.69 0.00 0.31 1.96 -7.23 -1.25 -5.15 120.40 106.35 3cwa s VAL 126 Ca 0.16 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 3cwa s VAL 126 Cb -0.08 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 3cwa s VAL 126 CO 0.19 0.00 0.76 -0.94 -0.31 0.00 0.00 175.10 174.80 3cwa s SER 127 N -3.19 6.86 0.24 4.85 1.04 -1.26 -4.89 113.70 117.34 3cwa s SER 127 Ca 0.39 1.36 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 3cwa s SER 127 Cb 0.06 -2.40 0.32 0.00 0.10 0.00 0.00 66.02 64.10 3cwa s SER 127 CO 0.15 -0.17 1.59 0.58 0.98 0.00 0.00 173.24 176.36 3cwa h VAL 128 N 2.12 0.16 -0.97 5.02 2.07 -1.94 0.71 116.25 123.42 3cwa h VAL 128 Ca -0.48 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3cwa h VAL 128 Cb 1.18 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3cwa h VAL 128 CO 0.65 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.88 3cwa h ALA 129 N 1.71 1.27 -0.20 1.67 0.00 -1.93 -2.07 119.26 119.71 3cwa h ALA 129 Ca 0.38 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3cwa h ALA 129 Cb 0.60 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3cwa h ALA 129 CO -0.85 0.55 -0.14 0.52 0.00 0.00 0.00 179.25 179.33 3cwa h MET 130 N 1.25 0.44 -0.93 0.00 2.07 -1.32 -2.65 114.93 113.80 3cwa h MET 130 Ca 0.38 -0.21 0.13 0.00 -2.07 0.00 0.00 59.70 57.92 3cwa h MET 130 Cb -0.04 -0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 29.60 3cwa h MET 130 CO -0.11 0.76 0.55 0.00 1.07 0.00 0.00 176.91 179.19 3cwa h ALA 131 N 0.67 1.40 -0.23 6.32 0.00 -0.84 0.54 119.26 127.13 3cwa h ALA 131 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3cwa h ALA 131 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3cwa h ALA 131 CO 0.04 0.11 0.06 0.00 0.00 0.00 0.00 179.25 179.46 3cwa h ALA 132 N 1.53 0.30 -0.36 0.00 0.00 -1.29 0.30 119.26 119.73 3cwa h ALA 132 Ca 0.48 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3cwa h ALA 132 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3cwa h ALA 132 CO -0.29 -0.07 -0.21 -0.22 0.00 0.00 0.00 179.25 178.46 3cwa h LYS 133 N 0.19 0.78 0.13 0.00 3.64 -1.00 0.41 116.57 120.74 3cwa h LYS 133 Ca 0.07 -0.36 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3cwa h LYS 133 Cb 0.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3cwa h LYS 133 CO -0.00 0.98 -0.17 1.25 -2.27 0.00 0.00 179.45 179.24 3cwa h LEU 134 N 0.57 -0.47 -0.35 5.20 5.85 0.21 -1.35 115.31 124.98 3cwa h LEU 134 Ca 0.08 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3cwa h LEU 134 Cb 0.76 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 3cwa h LEU 134 CO 0.06 -0.25 -0.02 0.74 -0.34 0.00 0.00 178.44 178.63 3cwa h THR 135 N -0.35 0.72 -0.93 1.05 2.02 -0.29 -1.67 112.91 113.45 3cwa h THR 135 Ca 0.01 -0.02 0.15 0.00 0.77 0.00 0.00 66.41 67.31 3cwa h THR 135 Cb 0.35 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 3cwa h THR 135 CO -0.07 0.01 0.59 0.00 0.37 0.00 0.00 175.52 176.43 3cwa h ALA 136 N 1.31 1.76 -0.47 6.16 0.00 -0.41 0.66 119.26 128.27 3cwa h ALA 136 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3cwa h ALA 136 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3cwa h ALA 136 CO -0.30 -0.02 0.21 0.00 0.00 0.00 0.00 179.25 179.14 3cwa h ARG 137 N 0.76 0.69 -0.67 0.00 3.08 -0.32 -0.73 114.38 117.18 3cwa h ARG 137 Ca 0.48 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 3cwa h ARG 137 Cb 0.71 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3cwa h ARG 137 CO -0.24 0.61 0.38 0.28 -1.07 0.00 0.00 179.97 179.93 3cwa h VAL 138 N 0.62 1.21 0.05 2.04 2.07 -0.56 -1.82 116.25 119.86 3cwa h VAL 138 Ca 0.16 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3cwa h VAL 138 Cb 0.16 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3cwa h VAL 138 CO -0.02 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.77 3cwa h ALA 139 N 1.19 -0.07 -0.77 1.67 0.00 -0.56 -2.27 119.26 118.45 3cwa h ALA 139 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3cwa h ALA 139 Cb 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3cwa h ALA 139 CO -0.04 -0.53 0.50 0.37 0.00 0.00 0.00 179.25 179.55 3cwa h GLN 140 N -0.09 1.02 0.00 0.00 4.15 -0.97 0.41 115.11 119.64 3cwa h GLN 140 Ca -0.01 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 3cwa h GLN 140 Cb 0.07 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3cwa h GLN 140 CO 0.01 0.68 -0.41 1.25 -1.93 0.00 0.00 178.83 178.43 3cwa h LEU 141 N 1.05 0.00 -2.17 -2.39 5.85 -1.21 -3.35 115.31 113.09 3cwa h LEU 141 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3cwa h LEU 141 Cb -0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3cwa h LEU 141 CO -0.06 0.41 -0.01 -1.22 -0.34 0.00 0.00 178.44 177.22 3cwa n TYR 142 N -3.76 0.00 -2.27 1.25 4.01 -0.87 -5.10 117.16 110.42 3cwa n TYR 142 Ca -0.01 -0.30 -0.27 0.00 -0.16 0.00 0.00 57.90 57.16 3cwa n TYR 142 Cb 0.49 -0.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.63 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 -0.64 1.77 -0.30 2.72 0.00 0.14 -4.53 107.32 106.48 3cwa s GLY 143 Ca 0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 3cwa s GLY 143 CO 0.00 -0.81 0.01 -0.54 0.00 0.00 0.00 173.10 171.76 3cwa s GLU 144 N -5.50 2.51 0.29 2.90 0.41 -1.11 -4.90 118.70 113.30 3cwa s GLU 144 Ca 0.70 -1.22 -0.28 0.00 -0.41 0.00 0.00 54.97 53.76 3cwa s GLU 144 Cb -0.05 -3.21 -0.09 0.00 -1.78 0.00 0.00 34.13 29.00 3cwa s GLU 144 CO 0.48 -0.60 0.98 0.50 -0.49 0.00 0.00 175.26 176.13 3cwa s ARG 145 N 1.29 4.66 0.08 1.61 3.52 -1.26 0.24 118.95 129.09 3cwa s ARG 145 Ca -0.04 1.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.75 3cwa s ARG 145 Cb -0.19 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 3cwa s ARG 145 CO -0.01 0.32 0.96 -0.51 -0.81 0.00 0.00 175.30 175.26 3cwa s LEU 146 N -1.67 4.47 0.23 -0.88 1.43 -0.54 -4.93 118.68 116.80 3cwa s LEU 146 Ca 0.46 1.76 0.07 0.00 -1.03 0.00 0.00 54.13 55.39 3cwa s LEU 146 Cb -0.24 -3.58 0.22 0.00 0.03 0.00 0.00 46.19 42.62 3cwa s LEU 146 CO 0.30 -0.11 1.53 0.44 0.23 0.00 0.00 176.35 178.74 3cwa h ASP 147 N 5.87 0.14 1.09 2.29 3.32 -1.95 -2.98 116.42 124.19 3cwa h ASP 147 Ca -0.42 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3cwa h ASP 147 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3cwa h ASP 147 CO 0.73 0.78 -0.33 -0.90 -1.72 0.00 0.00 179.24 177.79 3cwa n ASP 148 N -3.77 0.69 -3.14 6.45 5.75 -1.26 -4.39 116.55 116.87 3cwa n ASP 148 Ca -0.02 0.30 -0.20 0.00 -0.01 0.00 0.00 54.79 54.85 3cwa n ASP 148 Cb 0.67 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 3cwa n ASP 148 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3cwa n PHE 149 N -2.09 -1.37 -0.35 2.11 3.72 -1.19 -5.03 117.46 113.27 3cwa n PHE 149 Ca 0.05 -2.97 0.32 0.00 -0.05 0.00 0.00 57.45 54.79 3cwa n PHE 149 Cb 0.42 0.32 0.57 0.00 -0.94 0.00 0.00 39.48 39.86 3cwa n PHE 149 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3cwa n PRO 150 N 2.04 -0.05 0.00 -1.08 -0.02 -1.13 -0.00 135.00 134.76 3cwa n PRO 150 Ca 0.22 1.23 0.15 0.00 -2.02 0.00 0.00 63.50 63.08 3cwa n PRO 150 Cb 0.53 -2.28 0.84 0.00 -0.02 0.00 0.00 33.50 32.58 3cwa n PRO 150 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3cwa n GLU 151 N -4.88 0.71 -4.21 -0.52 0.00 -1.26 -4.77 120.64 105.70 3cwa n GLU 151 Ca 0.36 -0.02 -0.34 0.00 0.00 0.00 0.00 57.16 57.16 3cwa n GLU 151 Cb 1.28 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 31.11 3cwa n GLU 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3cwa s TYR 152 N -2.30 3.14 -0.10 -1.84 2.02 1.00 -4.46 117.35 114.81 3cwa s TYR 152 Ca 0.38 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 57.02 3cwa s TYR 152 Cb 0.21 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3cwa s TYR 152 CO 0.42 0.09 -0.22 -1.50 -1.57 0.00 0.00 175.55 172.76 3cwa s ILE 153 N 0.28 1.97 0.33 2.71 2.07 0.13 -1.47 121.20 127.22 3cwa s ILE 153 Ca 0.00 -0.96 -0.28 0.00 -1.41 0.00 0.00 60.65 58.01 3cwa s ILE 153 Cb -0.13 -1.71 -0.09 0.00 0.13 0.00 0.00 42.46 40.65 3cwa s ILE 153 CO 0.02 0.54 1.15 0.00 -1.91 0.00 0.00 174.94 174.73 3cwa n PHE 155 N 0.72 2.30 -1.64 0.00 7.35 -1.26 -2.75 117.46 122.18 3cwa n PHE 155 Ca 0.01 0.47 -0.49 0.00 -0.76 0.00 0.00 57.45 56.68 3cwa n PHE 155 Cb 0.45 -2.39 -0.05 0.00 0.35 0.00 0.00 39.48 37.84 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 -0.21 1.69 -1.58 -7.13 -0.02 -1.26 -4.73 135.00 121.76 3cwa n PRO 156 Ca 0.07 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 3cwa n PRO 156 Cb 0.41 -2.33 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.86 3.63 0.22 3.45 -4.23 -1.26 -4.87 115.64 113.43 3cwa s THR 157 Ca 0.82 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 61.79 3cwa s THR 157 Cb -0.81 -3.28 0.16 0.00 1.34 0.00 0.00 72.50 69.90 3cwa s THR 157 CO 0.43 -0.69 1.78 -0.65 -0.54 0.00 0.00 174.62 174.94 3cwa h PRO 158 N -0.86 1.18 -0.73 3.99 0.11 -1.94 -1.70 132.00 132.04 3cwa h PRO 158 Ca -0.45 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.43 3cwa h PRO 158 Cb 1.24 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3cwa h PRO 158 CO 0.58 0.96 0.41 -0.56 -0.21 0.00 0.00 178.00 179.18 3cwa h GLN 159 N 1.14 1.01 -0.33 1.05 -0.00 -1.93 -0.97 115.11 115.09 3cwa h GLN 159 Ca 0.26 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.65 58.64 3cwa h GLN 159 Cb 0.23 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.48 27.51 3cwa h GLN 159 CO -0.02 0.75 -0.39 -0.09 -0.00 0.00 0.00 178.83 179.08 3cwa h ARG 160 N 1.01 0.79 0.00 0.06 9.65 -1.86 -3.00 114.38 121.03 3cwa h ARG 160 Ca 0.26 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3cwa h ARG 160 Cb 0.03 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3cwa h ARG 160 CO -0.04 1.04 -0.03 1.28 2.80 0.00 0.00 179.97 185.02 3cwa n LEU 161 N -4.04 0.20 0.09 3.80 4.77 -0.67 -3.32 117.00 117.83 3cwa n LEU 161 Ca -0.02 0.49 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 3cwa n LEU 161 Cb 0.54 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 3cwa n LEU 161 CO 0.47 -0.03 -0.13 0.00 -1.33 0.00 0.00 177.39 176.37 3cwa h ALA 162 N 2.89 0.16 -0.40 -1.18 0.00 -1.04 -3.28 119.26 116.41 3cwa h ALA 162 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3cwa h ALA 162 Cb 0.55 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3cwa h ALA 162 CO 0.00 1.03 0.00 0.00 0.00 0.00 0.00 179.25 180.28 3cwa n ALA 163 N -2.57 3.26 -1.95 0.00 0.00 -1.17 -4.94 120.51 113.15 3cwa n ALA 163 Ca -0.11 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 51.75 3cwa n ALA 163 Cb 1.03 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 3cwa n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cwa s ALA 164 N -2.04 3.40 -0.22 0.00 0.00 -1.22 -5.00 121.76 116.69 3cwa s ALA 164 Ca 0.36 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3cwa s ALA 164 Cb 0.26 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 3cwa s ALA 164 CO 0.12 0.27 1.63 0.34 0.00 0.00 0.00 175.76 178.13 3cwa s ASP 165 N -1.32 6.36 0.00 0.00 2.15 -1.26 -4.85 116.67 117.76 3cwa s ASP 165 Ca 0.40 1.64 0.00 0.00 0.43 0.00 0.00 52.55 55.02 3cwa s ASP 165 Cb -0.22 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 3cwa s ASP 165 CO 0.26 -1.27 0.66 -2.65 -0.17 0.00 0.00 175.17 172.00 3cwa n PRO 166 N 7.68 0.00 -0.13 4.34 -0.02 -1.26 -1.33 135.00 144.28 3cwa n PRO 166 Ca 0.19 0.21 -0.23 0.00 -2.02 0.00 0.00 63.50 61.65 3cwa n PRO 166 Cb 0.45 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.12 3cwa n PRO 166 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3cwa n GLN 167 N -1.16 0.63 -0.27 -0.52 -0.06 -1.26 -3.69 117.38 111.05 3cwa n GLN 167 Ca 0.00 0.20 0.17 0.00 -2.00 0.00 0.00 57.00 55.37 3cwa n GLN 167 Cb 0.20 -1.51 0.46 0.00 -4.06 0.00 0.00 30.24 25.33 3cwa n GLN 167 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3cwa h ALA 168 N -0.38 2.07 -0.31 1.69 0.00 -1.60 0.45 119.26 121.17 3cwa h ALA 168 Ca -0.63 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 3cwa h ALA 168 Cb 1.79 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3cwa h ALA 168 CO -0.22 -0.37 -0.46 -0.07 0.00 0.00 0.00 179.25 178.13 3cwa h LEU 169 N 0.50 0.89 -0.27 0.00 3.38 -1.73 -2.82 115.31 115.27 3cwa h LEU 169 Ca 0.49 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3cwa h LEU 169 Cb 1.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3cwa h LEU 169 CO -0.22 1.21 0.13 0.50 0.09 0.00 0.00 178.44 180.15 3cwa h LYS 170 N 0.65 0.27 -0.90 1.13 3.64 -0.32 -2.86 116.57 118.18 3cwa h LYS 170 Ca 0.04 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 3cwa h LYS 170 Cb 1.04 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.68 3cwa h LYS 170 CO 0.10 0.18 -0.53 0.00 -2.27 0.00 0.00 179.45 176.93 3cwa h ALA 171 N 1.14 -0.41 -0.06 5.00 0.00 -0.59 0.26 119.26 124.60 3cwa h ALA 171 Ca 0.11 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3cwa h ALA 171 Cb 0.03 1.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3cwa h ALA 171 CO -0.08 -0.89 0.65 -0.07 0.00 0.00 0.00 179.25 178.86 3cwa h LEU 172 N -0.06 0.00 0.00 0.00 3.38 -1.31 -3.42 115.31 113.89 3cwa h LEU 172 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3cwa h LEU 172 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cwa h LEU 172 CO -0.89 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.25 3cwa n GLY 173 N -1.37 0.88 3.02 0.83 0.00 0.84 -4.95 105.19 104.44 3cwa n GLY 173 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.36 1.14 1.61 0.23 -0.81 -5.08 119.30 116.75 3cwa s MET 174 Ca 0.00 -0.53 -0.17 0.00 -1.03 0.00 0.00 55.69 53.96 3cwa s MET 174 Cb 0.00 0.14 0.18 0.00 -1.53 0.00 0.00 34.83 33.61 3cwa s MET 174 CO 0.00 -0.07 0.28 -2.30 -2.03 0.00 0.00 175.02 170.90 3cwa n PRO 175 N 1.59 -2.35 0.09 3.16 -0.02 -1.26 -4.31 135.00 131.90 3cwa n PRO 175 Ca -0.23 -0.68 -0.19 0.00 -2.02 0.00 0.00 63.50 60.38 3cwa n PRO 175 Cb 0.55 -1.68 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 3cwa n PRO 175 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3cwa h LEU 176 N -2.54 0.68 -1.45 2.45 5.85 -1.96 -3.11 115.31 115.25 3cwa h LEU 176 Ca -0.43 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 57.61 3cwa h LEU 176 Cb 1.15 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3cwa h LEU 176 CO 0.29 1.46 -0.21 0.11 -0.34 0.00 0.00 178.44 179.75 3cwa h LYS 177 N 0.21 0.00 -0.38 1.25 1.57 -1.96 -2.61 116.57 114.65 3cwa h LYS 177 Ca -0.15 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3cwa h LYS 177 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 3cwa h LYS 177 CO 0.21 0.21 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.21 3cwa h ARG 178 N 0.00 0.68 0.00 3.15 9.65 -1.88 -1.86 114.38 124.11 3cwa h ARG 178 Ca -0.00 -0.22 -0.15 0.00 -1.10 0.00 0.00 59.98 58.51 3cwa h ARG 178 Cb 0.58 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 3cwa h ARG 178 CO 0.03 0.78 -0.72 0.00 2.80 0.00 0.00 179.97 182.86 3cwa h ALA 179 N 0.87 0.70 -0.18 2.80 0.00 -1.46 -2.74 119.26 119.25 3cwa h ALA 179 Ca 0.11 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 3cwa h ALA 179 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3cwa h ALA 179 CO 0.02 0.90 -0.56 0.93 0.00 0.00 0.00 179.25 180.54 3cwa h GLU 180 N 0.00 0.54 -0.61 0.00 5.08 -1.43 -1.29 114.58 116.88 3cwa h GLU 180 Ca -0.01 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3cwa h GLU 180 Cb 1.36 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 3cwa h GLU 180 CO 0.09 0.96 0.30 0.00 -1.00 0.00 0.00 179.01 179.36 3cwa h ALA 181 N 0.97 1.38 -0.17 3.43 0.00 -1.23 0.33 119.26 123.98 3cwa h ALA 181 Ca 0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3cwa h ALA 181 Cb 1.10 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3cwa h ALA 181 CO 0.10 0.49 -0.65 -0.07 0.00 0.00 0.00 179.25 179.12 3cwa h LEU 182 N 0.85 0.86 -0.96 0.00 3.38 -1.18 -1.54 115.31 116.73 3cwa h LEU 182 Ca 0.21 -0.61 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 3cwa h LEU 182 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3cwa h LEU 182 CO -0.03 1.33 -0.44 0.40 0.09 0.00 0.00 178.44 179.79 3cwa h ILE 183 N 0.45 1.32 0.36 1.22 2.04 -0.80 -1.54 117.51 120.57 3cwa h ILE 183 Ca -0.03 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 3cwa h ILE 183 Cb 1.28 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3cwa h ILE 183 CO 0.14 0.47 -0.17 -0.74 0.00 0.00 0.00 178.15 177.84 3cwa h HIS 184 N 0.14 -0.45 -0.95 1.37 2.76 -0.30 -2.68 115.15 115.04 3cwa h HIS 184 Ca 0.01 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.41 3cwa h HIS 184 Cb 0.84 0.15 -0.13 0.00 1.55 0.00 0.00 27.41 29.82 3cwa h HIS 184 CO 0.01 -0.13 0.49 1.25 -1.30 0.00 0.00 177.93 178.25 3cwa h LEU 185 N -0.97 0.48 -0.67 0.26 5.85 -1.24 0.84 115.31 119.85 3cwa h LEU 185 Ca -0.05 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3cwa h LEU 185 Cb 0.52 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3cwa h LEU 185 CO 0.08 0.02 0.33 0.00 -0.34 0.00 0.00 178.44 178.53 3cwa h ALA 186 N 1.74 0.87 -0.58 1.25 0.00 -1.24 -1.58 119.26 119.72 3cwa h ALA 186 Ca 0.62 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 3cwa h ALA 186 Cb 1.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3cwa h ALA 186 CO -0.52 0.42 0.05 -0.91 0.00 0.00 0.00 179.25 178.29 3cwa h ASN 187 N 0.93 0.93 -0.38 0.00 4.21 -0.51 -1.75 115.58 119.01 3cwa h ASN 187 Ca 0.23 -0.22 0.04 0.00 1.21 0.00 0.00 56.30 57.56 3cwa h ASN 187 Cb 0.10 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 37.02 3cwa h ASN 187 CO -0.03 0.95 0.16 0.00 -1.29 0.00 0.00 177.43 177.22 3cwa h ALA 188 N 1.15 0.46 -0.91 -0.83 0.00 -0.94 -0.17 119.26 118.02 3cwa h ALA 188 Ca 0.18 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3cwa h ALA 188 Cb 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3cwa h ALA 188 CO 0.02 -0.23 0.60 0.00 0.00 0.00 0.00 179.25 179.64 3cwa h ALA 189 N 1.23 1.46 -0.54 0.00 0.00 -0.82 0.19 119.26 120.78 3cwa h ALA 189 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3cwa h ALA 189 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3cwa h ALA 189 CO -0.15 0.42 -0.07 -0.07 0.00 0.00 0.00 179.25 179.38 3cwa h LEU 190 N 1.09 0.98 -0.26 0.00 3.38 -0.36 -3.10 115.31 117.05 3cwa h LEU 190 Ca 0.38 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3cwa h LEU 190 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3cwa h LEU 190 CO -0.13 1.07 -0.26 -0.62 0.09 0.00 0.00 178.44 178.59 3cwa n GLU 191 N -4.16 0.51 -0.84 1.13 1.02 -0.19 -4.95 120.64 113.16 3cwa n GLU 191 Ca 0.02 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 3cwa n GLU 191 Cb 0.38 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3cwa n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cwa n GLY 192 N 1.38 0.49 0.15 0.62 0.00 0.44 -4.96 105.19 103.31 3cwa n GLY 192 Ca 0.11 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.41 3cwa n GLY 192 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cwa h THR 193 N 0.00 0.29 -3.58 2.61 2.02 -1.21 -3.43 112.91 109.61 3cwa h THR 193 Ca 0.00 -1.46 -0.66 0.00 0.77 0.00 0.00 66.41 65.06 3cwa h THR 193 Cb 0.00 1.97 -0.15 0.00 -1.74 0.00 0.00 68.15 68.22 3cwa h THR 193 CO 0.00 0.17 0.06 -0.22 0.37 0.00 0.00 175.52 175.90 3cwa s LEU 194 N -5.96 4.50 0.13 2.58 2.96 -1.23 -4.99 118.68 116.67 3cwa s LEU 194 Ca 0.02 -0.28 -0.32 0.00 -0.22 0.00 0.00 54.13 53.33 3cwa s LEU 194 Cb 0.07 -2.67 -0.12 0.00 0.50 0.00 0.00 46.19 43.98 3cwa s LEU 194 CO 0.75 -0.69 1.78 -2.65 -1.32 0.00 0.00 176.35 174.21 3cwa n PRO 195 N 6.08 2.64 0.05 0.98 -0.02 -1.26 -4.84 135.00 138.64 3cwa n PRO 195 Ca -0.03 0.96 0.12 0.00 -2.02 0.00 0.00 63.50 62.53 3cwa n PRO 195 Cb 0.48 -2.82 0.19 0.00 -0.02 0.00 0.00 33.50 31.33 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 5.03 0.25 -4.24 -0.52 2.81 -1.26 -4.88 117.12 114.31 3cwa n MET 196 Ca 0.18 0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.99 3cwa n MET 196 Cb 0.35 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 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 -3.14 1.18 0.07 2.03 -1.32 -1.26 -4.54 115.64 108.65 3cwa s THR 197 Ca 0.07 -1.91 -0.31 0.00 -1.21 0.00 0.00 61.69 58.32 3cwa s THR 197 Cb 0.14 -1.69 -0.10 0.00 -1.51 0.00 0.00 72.50 69.33 3cwa s THR 197 CO 0.71 -0.64 1.88 0.00 -2.21 0.00 0.00 174.62 174.37 3cwa n ILE 198 N 0.09 0.53 -1.84 5.08 3.06 -1.26 -4.98 119.36 120.03 3cwa n ILE 198 Ca -0.12 -0.09 -0.31 0.00 -2.50 0.00 0.00 62.75 59.72 3cwa n ILE 198 Cb 0.59 -2.14 0.02 0.00 0.54 0.00 0.00 39.64 38.65 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 3.46 3.32 0.34 9.51 0.04 -1.26 -4.97 135.00 145.43 3cwa s PRO 199 Ca 0.86 0.94 0.09 0.00 0.04 0.00 0.00 61.00 62.93 3cwa s PRO 199 Cb -0.50 -2.04 0.61 0.00 0.04 0.00 0.00 34.50 32.61 3cwa s PRO 199 CO 0.41 -0.79 1.78 0.78 0.04 0.00 0.00 177.00 179.22 3cwa h GLY 200 N -0.19 0.16 -7.46 0.56 0.00 -2.06 -3.34 103.07 90.74 3cwa h GLY 200 Ca -0.45 -0.13 -0.68 0.00 0.00 0.00 0.00 47.33 46.07 3cwa h GLY 200 CO 0.59 0.12 -0.40 -0.35 0.00 0.00 0.00 176.54 176.51 3cwa s ASP 201 N -6.90 5.11 0.10 0.19 -1.08 -1.26 -4.96 116.67 107.87 3cwa s ASP 201 Ca -0.04 -3.07 -0.20 0.00 -0.52 0.00 0.00 52.55 48.72 3cwa s ASP 201 Cb 0.14 -1.80 -0.09 0.00 -1.46 0.00 0.00 42.92 39.71 3cwa s ASP 201 CO 0.75 -0.30 1.66 0.58 0.52 0.00 0.00 175.17 178.38 3cwa h VAL 202 N 5.10 1.14 -0.62 1.11 2.07 -1.99 -1.40 116.25 121.66 3cwa h VAL 202 Ca 0.01 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.23 3cwa h VAL 202 Cb 0.91 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3cwa h VAL 202 CO 0.72 0.13 0.23 -0.33 0.02 0.00 0.00 177.57 178.34 3cwa h GLU 203 N 0.17 0.39 0.34 1.57 3.07 -1.95 0.19 114.58 118.37 3cwa h GLU 203 Ca 0.06 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3cwa h GLU 203 Cb 0.13 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3cwa h GLU 203 CO -0.01 0.26 -0.16 0.37 -1.40 0.00 0.00 179.01 178.07 3cwa h GLN 204 N 0.41 -0.44 -0.74 2.33 5.75 -1.96 -1.54 115.11 118.92 3cwa h GLN 204 Ca 0.31 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.96 3cwa h GLN 204 Cb 0.39 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.99 3cwa h GLN 204 CO -0.31 -0.18 0.49 0.00 -2.65 0.00 0.00 178.83 176.17 3cwa h ALA 205 N -0.06 1.97 -0.42 3.38 0.00 -0.71 0.55 119.26 123.96 3cwa h ALA 205 Ca -0.05 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3cwa h ALA 205 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3cwa h ALA 205 CO 0.08 -0.15 -0.18 0.52 0.00 0.00 0.00 179.25 179.52 3cwa h MET 206 N 0.52 0.82 0.32 0.00 2.86 -0.34 -1.71 114.93 117.40 3cwa h MET 206 Ca 0.35 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3cwa h MET 206 Cb 0.65 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3cwa h MET 206 CO -0.12 0.93 -0.26 0.87 1.06 0.00 0.00 176.91 179.39 3cwa h LYS 207 N 0.72 -0.57 -0.55 1.72 1.57 0.13 -1.28 116.57 118.31 3cwa h LYS 207 Ca 0.11 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3cwa h LYS 207 Cb 0.69 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.05 3cwa h LYS 207 CO 0.05 -0.38 0.07 1.15 -0.57 0.00 0.00 179.45 179.77 3cwa h THR 208 N -0.59 0.63 -0.79 -0.16 2.02 -1.26 0.78 112.91 113.54 3cwa h THR 208 Ca -0.02 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.21 3cwa h THR 208 Cb 0.53 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 3cwa h THR 208 CO -0.02 0.04 0.51 -0.07 0.37 0.00 0.00 175.52 176.35 3cwa h LEU 209 N 0.19 0.56 -1.07 2.58 3.38 -0.80 -0.02 115.31 120.15 3cwa h LEU 209 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3cwa h LEU 209 Cb 0.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3cwa h LEU 209 CO -0.40 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.44 3cwa n GLN 210 N -4.51 0.17 -0.02 1.13 6.02 0.26 -0.90 117.38 119.53 3cwa n GLN 210 Ca 0.14 0.53 0.12 0.00 -0.01 0.00 0.00 57.00 57.78 3cwa n GLN 210 Cb 0.41 -1.92 0.62 0.00 1.02 0.00 0.00 30.24 30.37 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 -2.26 0.04 -2.84 5.09 -2.24 -0.02 -4.71 114.28 107.34 3cwa n THR 211 Ca 0.00 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3cwa n THR 211 Cb 0.14 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.96 3.79 0.10 4.78 0.40 -0.08 -5.01 117.98 120.02 3cwa s PHE 212 Ca 0.36 1.75 -0.31 0.00 -0.60 0.00 0.00 56.93 58.13 3cwa s PHE 212 Cb 0.18 -2.88 -0.07 0.00 0.51 0.00 0.00 43.02 40.76 3cwa s PHE 212 CO 0.29 0.33 1.27 -1.25 0.70 0.00 0.00 175.22 176.56 3cwa s PRO 213 N -1.69 4.40 0.00 0.24 0.04 -1.26 -2.25 135.00 134.48 3cwa s PRO 213 Ca 0.45 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.39 3cwa s PRO 213 Cb -0.21 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3cwa s PRO 213 CO 0.26 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.42 3cwa n GLY 214 N 3.11 1.50 3.25 0.56 0.00 -1.26 -4.40 105.19 107.94 3cwa n GLY 214 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.84 3.64 0.01 -0.61 1.01 -0.95 -4.98 121.20 116.48 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 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3cwa s ILE 215 CO 0.00 -0.18 0.01 0.61 0.00 0.00 0.00 174.94 175.38 3cwa n GLY 216 N 4.77 2.73 0.26 6.18 0.00 -1.26 -4.39 105.19 113.48 3cwa n GLY 216 Ca -0.12 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 43.79 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 0.15 0.12 1.61 2.43 -1.95 -1.28 114.38 115.47 3cwa h ARG 217 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3cwa h ARG 217 Cb 0.03 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3cwa h ARG 217 CO 0.01 0.16 -0.06 2.35 -1.51 0.00 0.00 179.97 180.93 3cwa h TRP 218 N 0.15 -0.15 -0.80 2.20 7.01 -1.95 -2.35 115.95 120.06 3cwa h TRP 218 Ca 0.04 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3cwa h TRP 218 Cb 0.09 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 3cwa h TRP 218 CO 0.00 0.29 0.51 1.15 -2.79 0.00 0.00 178.44 177.60 3cwa h THR 219 N -0.67 1.22 -0.75 2.65 2.02 -1.89 -0.93 112.91 114.56 3cwa h THR 219 Ca -0.02 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3cwa h THR 219 Cb 0.51 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 3cwa h THR 219 CO 0.03 0.22 0.47 0.00 0.37 0.00 0.00 175.52 176.61 3cwa h ALA 220 N 1.28 0.98 0.70 6.16 0.00 -1.27 0.19 119.26 127.29 3cwa h ALA 220 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3cwa h ALA 220 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.46 3cwa h ALA 220 CO -0.06 0.28 -0.33 -0.91 0.00 0.00 0.00 179.25 178.22 3cwa h ASN 221 N 0.93 -0.79 -0.75 0.00 -0.26 -0.94 -1.03 115.58 112.75 3cwa h ASN 221 Ca 0.30 -0.00 0.17 0.00 -0.56 0.00 0.00 56.30 56.21 3cwa h ASN 221 Cb 0.00 0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.42 3cwa h ASN 221 CO -0.11 -0.44 0.51 0.22 -1.06 0.00 0.00 177.43 176.55 3cwa h TYR 222 N -1.15 0.34 -0.29 1.19 3.20 -1.04 0.85 116.97 120.07 3cwa h TYR 222 Ca -0.10 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.60 3cwa h TYR 222 Cb 0.74 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 3cwa h TYR 222 CO -0.00 0.12 -0.53 0.35 -1.64 0.00 0.00 178.16 176.45 3cwa h PHE 223 N 0.28 1.09 -0.38 -3.82 3.57 -0.46 -1.77 116.94 115.45 3cwa h PHE 223 Ca 0.37 -0.38 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 3cwa h PHE 223 Cb 1.03 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3cwa h PHE 223 CO -0.00 1.21 -0.00 0.00 -2.23 0.00 0.00 178.31 177.29 3cwa h ALA 224 N 0.71 0.51 0.23 2.41 0.00 0.45 0.50 119.26 124.08 3cwa h ALA 224 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3cwa h ALA 224 Cb 1.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3cwa h ALA 224 CO 0.12 0.29 -0.15 1.25 0.00 0.00 0.00 179.25 180.75 3cwa h LEU 225 N 0.50 -0.39 0.07 0.00 5.85 -0.97 -0.85 115.31 119.50 3cwa h LEU 225 Ca 0.11 0.03 -0.35 0.00 0.84 0.00 0.00 57.88 58.50 3cwa h LEU 225 Cb 0.47 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3cwa h LEU 225 CO 0.02 -0.25 -1.98 0.54 -0.34 0.00 0.00 178.44 176.44 3cwa n ARG 226 N -5.28 0.68 0.05 1.25 5.12 -0.67 -2.30 116.66 115.52 3cwa n ARG 226 Ca -0.09 0.31 -0.07 0.00 -1.93 0.00 0.00 57.85 56.07 3cwa n ARG 226 Cb 0.19 -1.66 0.10 0.00 -1.16 0.00 0.00 32.46 29.93 3cwa n ARG 226 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3cwa h GLY 227 N 0.63 0.40 -0.29 -0.13 0.00 -0.15 -3.14 103.07 100.39 3cwa h GLY 227 Ca -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.39 3cwa h GLY 227 CO -0.05 0.43 -0.36 0.79 0.00 0.00 0.00 176.54 177.34 3cwa n TRP 228 N -3.91 0.00 -3.18 5.60 8.01 -1.01 -4.50 117.44 118.44 3cwa n TRP 228 Ca -0.03 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.93 3cwa n TRP 228 Cb 0.61 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.95 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 -0.69 -5.33 -2.01 -0.99 3.00 -0.79 -4.50 117.38 106.08 3cwa n GLN 229 Ca 0.04 0.85 -0.41 0.00 -0.01 0.00 0.00 57.00 57.46 3cwa n GLN 229 Cb 0.21 -5.74 -0.02 0.00 0.00 0.00 0.00 30.24 24.69 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 3.64 -1.66 -1.58 0.00 -0.39 -4.91 121.76 113.66 3cwa s ALA 230 Ca 0.37 1.33 0.24 0.00 0.00 0.00 0.00 51.96 53.91 3cwa s ALA 230 Cb -0.17 -3.56 0.37 0.00 0.00 0.00 0.00 23.12 19.76 3cwa s ALA 230 CO 0.46 -0.75 1.32 1.63 0.00 0.00 0.00 175.76 178.43 3cwa n LYS 231 N 2.44 0.76 -2.45 0.00 4.76 -1.26 -4.49 118.16 117.92 3cwa n LYS 231 Ca 0.07 -0.54 -0.21 0.00 -2.87 0.00 0.00 58.31 54.77 3cwa n LYS 231 Cb 0.40 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 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 -0.65 3.86 -4.38 4.39 2.03 -1.25 -1.05 116.55 119.49 3cwa n ASP 232 Ca 0.09 -3.39 -0.29 0.00 0.52 0.00 0.00 54.79 51.72 3cwa n ASP 232 Cb 0.38 -0.45 -0.14 0.00 -0.72 0.00 0.00 41.12 40.20 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 -4.73 2.25 0.32 5.18 -7.23 -1.26 -4.59 120.40 110.34 3cwa s VAL 233 Ca 0.43 -1.61 0.09 0.00 -1.81 0.00 0.00 61.98 59.07 3cwa s VAL 233 Cb 0.41 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.33 3cwa s VAL 233 CO -0.08 0.19 -0.10 0.12 -0.31 0.00 0.00 175.10 174.92 3cwa s PHE 234 N -0.97 2.24 -0.60 2.82 5.36 -1.26 -2.75 117.98 122.81 3cwa s PHE 234 Ca 0.13 -0.54 0.06 0.00 -0.96 0.00 0.00 56.93 55.62 3cwa s PHE 234 Cb -0.10 -1.25 0.25 0.00 -0.34 0.00 0.00 43.02 41.58 3cwa s PHE 234 CO 0.05 0.50 0.71 1.28 -1.46 0.00 0.00 175.22 176.30 3cwa n LEU 235 N -0.71 3.22 0.30 6.12 4.32 -1.26 -4.92 117.00 124.08 3cwa n LEU 235 Ca -0.05 -5.33 0.17 0.00 -0.02 0.00 0.00 56.01 50.78 3cwa n LEU 235 Cb 0.63 -0.47 0.96 0.00 -1.62 0.00 0.00 43.42 42.92 3cwa n LEU 235 CO 0.42 2.06 1.10 1.55 -1.22 0.00 0.00 177.39 181.29 3cwa h PRO 236 N 4.16 0.00 -0.10 3.23 0.13 -1.97 -1.23 132.00 136.22 3cwa h PRO 236 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3cwa h PRO 236 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3cwa h PRO 236 CO 0.78 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.33 3cwa n ASP 237 N -3.47 0.93 -4.72 1.44 8.00 -1.26 -4.56 116.55 112.92 3cwa n ASP 237 Ca -0.02 -1.61 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 3cwa n ASP 237 Cb 0.13 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3cwa n ASP 237 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cwa s ASP 238 N -1.54 7.41 0.11 -2.24 2.15 -0.47 -4.96 116.67 117.13 3cwa s ASP 238 Ca 0.29 1.73 -0.32 0.00 0.43 0.00 0.00 52.55 54.68 3cwa s ASP 238 Cb 0.15 -2.58 -0.12 0.00 -0.30 0.00 0.00 42.92 40.07 3cwa s ASP 238 CO 0.23 -0.19 1.52 0.22 -0.17 0.00 0.00 175.17 176.78 3cwa h TYR 239 N 6.31 -1.55 -0.93 -5.34 3.20 -1.89 0.24 116.97 117.03 3cwa h TYR 239 Ca -0.42 0.06 0.10 0.00 3.14 0.00 0.00 58.73 61.61 3cwa h TYR 239 Cb 1.22 0.69 -0.07 0.00 1.54 0.00 0.00 36.73 40.11 3cwa h TYR 239 CO 0.67 -0.52 0.60 1.25 -1.64 0.00 0.00 178.16 178.51 3cwa h LEU 240 N -0.55 0.86 -1.42 2.82 5.85 -1.96 0.62 115.31 121.54 3cwa h LEU 240 Ca 0.03 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3cwa h LEU 240 Cb 0.64 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3cwa h LEU 240 CO -0.42 0.51 -0.21 0.40 -0.34 0.00 0.00 178.44 178.38 3cwa h ILE 241 N 0.95 1.19 -0.43 4.05 1.08 -1.52 -1.99 117.51 120.83 3cwa h ILE 241 Ca 0.43 -0.87 -0.08 0.00 -0.39 0.00 0.00 64.86 63.94 3cwa h ILE 241 Cb 0.38 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 3cwa h ILE 241 CO -0.19 0.26 -0.05 0.11 -0.69 0.00 0.00 178.15 177.59 3cwa h LYS 242 N 0.12 0.80 -0.11 2.37 1.57 0.11 -2.75 116.57 118.67 3cwa h LYS 242 Ca 0.02 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 3cwa h LYS 242 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3cwa h LYS 242 CO 0.03 0.89 -0.20 1.96 -0.57 0.00 0.00 179.45 181.56 3cwa h GLN 243 N 0.63 0.19 0.00 3.15 4.20 -1.02 -2.08 115.11 120.18 3cwa h GLN 243 Ca 0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3cwa h GLN 243 Cb 0.57 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3cwa h GLN 243 CO 0.03 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 3cwa h ARG 244 N 0.18 0.00 -2.54 1.46 2.47 -1.10 -3.29 114.38 111.56 3cwa h ARG 244 Ca 0.03 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.15 3cwa h ARG 244 Cb 0.47 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 28.37 3cwa h ARG 244 CO 0.03 0.00 -0.65 1.19 0.56 0.00 0.00 179.97 181.10 3cwa n PHE 245 N -2.89 2.85 -1.65 3.04 3.01 -0.78 -4.28 117.46 116.75 3cwa n PHE 245 Ca 0.02 -4.11 -0.61 0.00 1.01 0.00 0.00 57.45 53.76 3cwa n PHE 245 Cb 0.33 -0.51 -0.08 0.00 -0.01 0.00 0.00 39.48 39.20 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 1.46 0.45 0.00 -1.08 -0.02 -1.23 -3.27 135.00 131.31 3cwa n PRO 246 Ca 0.25 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3cwa n PRO 246 Cb 0.40 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.16 2.23 0.20 -1.23 0.00 -1.26 -4.98 105.19 103.31 3cwa n GLY 247 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 3cwa n GLY 247 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cwa n MET 248 N 0.00 0.00 -3.76 1.61 2.81 -1.20 -4.94 117.12 111.63 3cwa n MET 248 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 3cwa n MET 248 Cb 0.00 -0.06 -0.04 0.00 -0.71 0.00 0.00 33.22 32.41 3cwa n MET 248 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3cwa s THR 249 N -0.08 5.24 0.17 2.03 -4.23 -1.26 -4.86 115.64 112.65 3cwa s THR 249 Ca 0.04 -0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 3cwa s THR 249 Cb -0.05 -3.68 0.22 0.00 1.34 0.00 0.00 72.50 70.33 3cwa s THR 249 CO 0.04 -0.04 0.83 -2.65 -0.54 0.00 0.00 174.62 172.26 3cwa n PRO 250 N -0.24 -0.04 0.12 3.99 -0.02 -1.26 0.19 135.00 137.74 3cwa n PRO 250 Ca -0.04 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 3cwa n PRO 250 Cb 0.53 -1.27 0.14 0.00 -0.02 0.00 0.00 33.50 32.88 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 1.06 0.90 -0.13 3.55 0.00 -1.95 -2.69 119.26 120.00 3cwa h ALA 251 Ca 0.34 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3cwa h ALA 251 Cb 0.74 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3cwa h ALA 251 CO -0.48 0.80 -0.47 1.96 0.00 0.00 0.00 179.25 181.06 3cwa h GLN 252 N 0.03 0.54 0.02 0.00 4.20 0.17 -2.00 115.11 118.07 3cwa h GLN 252 Ca -0.01 -0.41 0.02 0.00 0.06 0.00 0.00 58.65 58.31 3cwa h GLN 252 Cb 1.16 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 3cwa h GLN 252 CO 0.09 1.04 -0.15 0.82 -0.67 0.00 0.00 178.83 179.95 3cwa h ILE 253 N 0.16 0.63 -0.59 2.54 2.04 -1.43 -1.07 117.51 119.79 3cwa h ILE 253 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 3cwa h ILE 253 Cb 1.10 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 3cwa h ILE 253 CO 0.10 0.00 -0.15 -0.09 0.00 0.00 0.00 178.15 178.01 3cwa h ARG 254 N -0.26 0.00 -0.01 2.37 2.43 -1.47 0.41 114.38 117.84 3cwa h ARG 254 Ca 0.04 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3cwa h ARG 254 Cb 0.32 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3cwa h ARG 254 CO -0.13 0.00 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.01 3cwa h ARG 255 N 0.00 0.01 -0.01 0.20 9.65 -0.89 -2.37 114.38 120.97 3cwa h ARG 255 Ca 0.29 -0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 59.00 3cwa h ARG 255 Cb 0.43 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3cwa h ARG 255 CO -0.61 0.24 -0.65 -0.92 2.80 0.00 0.00 179.97 180.84 3cwa h TYR 256 N 0.01 0.67 -0.22 2.20 5.03 0.66 -3.21 116.97 122.11 3cwa h TYR 256 Ca 0.00 -0.36 0.06 0.00 2.58 0.00 0.00 58.73 61.02 3cwa h TYR 256 Cb 0.41 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 3cwa h TYR 256 CO 0.00 1.18 0.16 0.00 -1.32 0.00 0.00 178.16 178.17 3cwa h ALA 257 N 0.34 2.20 -0.85 1.82 0.00 0.00 -2.36 119.26 120.41 3cwa h ALA 257 Ca -0.08 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.07 3cwa h ALA 257 Cb 1.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3cwa h ALA 257 CO 0.13 -0.27 0.81 0.93 0.00 0.00 0.00 179.25 180.85 3cwa h GLU 258 N 0.00 0.00 0.00 0.00 5.08 -1.44 0.25 114.58 118.48 3cwa h GLU 258 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3cwa h GLU 258 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3cwa h GLU 258 CO -0.00 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.90 3cwa n ARG 259 N -3.70 0.04 -0.20 2.33 1.85 -0.89 -2.12 116.66 113.97 3cwa n ARG 259 Ca 0.18 0.45 0.08 0.00 -1.00 0.00 0.00 57.85 57.56 3cwa n ARG 259 Cb 1.10 -1.60 0.19 0.00 -1.05 0.00 0.00 32.46 31.10 3cwa n ARG 259 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3cwa n TRP 260 N -1.67 0.53 -1.68 2.89 8.01 0.89 -5.00 117.44 121.41 3cwa n TRP 260 Ca 0.01 -0.40 -0.40 0.00 -1.31 0.00 0.00 57.50 55.41 3cwa n TRP 260 Cb 0.07 -0.01 0.03 0.00 -2.01 0.00 0.00 31.31 29.38 3cwa n TRP 260 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3cwa n LYS 261 N 0.96 1.55 -1.28 -0.99 5.02 -0.90 -0.51 118.16 122.00 3cwa n LYS 261 Ca 0.15 0.56 -0.28 0.00 -2.02 0.00 0.00 58.31 56.73 3cwa n LYS 261 Cb 0.48 -2.34 0.13 0.00 -0.02 0.00 0.00 35.03 33.29 3cwa n LYS 261 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3cwa n PRO 262 N -0.47 2.46 -2.08 1.97 -0.04 -1.26 -4.92 135.00 130.66 3cwa n PRO 262 Ca 0.10 -3.18 -0.20 0.00 -0.04 0.00 0.00 63.50 60.18 3cwa n PRO 262 Cb 0.43 -2.22 0.03 0.00 -0.04 0.00 0.00 33.50 31.70 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 -1.03 2.48 0.28 0.54 7.02 0.33 -3.94 117.44 123.11 3cwa n TRP 263 Ca 0.60 -2.18 0.12 0.00 -1.02 0.00 0.00 57.50 55.02 3cwa n TRP 263 Cb 1.17 -0.32 0.81 0.00 -2.42 0.00 0.00 31.31 30.55 3cwa n TRP 263 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3cwa h ARG 264 N 2.19 0.00 -0.61 -0.99 3.08 -1.53 -1.71 114.38 114.82 3cwa h ARG 264 Ca 0.29 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.26 3cwa h ARG 264 Cb 1.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 3cwa h ARG 264 CO 0.66 0.02 0.07 0.77 -1.07 0.00 0.00 179.97 180.42 3cwa h SER 265 N 0.00 0.98 -0.11 7.04 0.02 -0.90 0.16 113.55 120.74 3cwa h SER 265 Ca -0.00 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 3cwa h SER 265 Cb 0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.32 3cwa h SER 265 CO 0.00 1.00 -0.40 1.88 -1.14 0.00 0.00 176.83 178.17 3cwa h TYR 266 N 0.95 0.61 -0.56 3.45 0.05 -1.50 -2.16 116.97 117.80 3cwa h TYR 266 Ca 0.19 -0.25 0.09 0.00 0.05 0.00 0.00 58.73 58.81 3cwa h TYR 266 Cb 0.46 -0.10 -0.07 0.00 1.01 0.00 0.00 36.73 38.02 3cwa h TYR 266 CO 0.03 1.00 0.16 0.00 -1.05 0.00 0.00 178.16 178.31 3cwa h ALA 267 N 0.48 0.69 0.12 3.88 0.00 -1.13 -0.99 119.26 122.31 3cwa h ALA 267 Ca -0.02 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3cwa h ALA 267 Cb 1.03 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3cwa h ALA 267 CO 0.08 -0.25 -0.38 1.25 0.00 0.00 0.00 179.25 179.95 3cwa h LEU 268 N 0.32 -1.10 -0.74 0.00 5.85 -0.58 -1.58 115.31 117.49 3cwa h LEU 268 Ca 0.29 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.25 3cwa h LEU 268 Cb 0.38 0.41 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 3cwa h LEU 268 CO -0.33 -0.46 0.33 -0.07 -0.34 0.00 0.00 178.44 177.58 3cwa h LEU 269 N -0.61 0.38 -0.73 2.25 3.38 -0.68 -0.53 115.31 118.77 3cwa h LEU 269 Ca 0.03 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3cwa h LEU 269 Cb 0.64 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3cwa h LEU 269 CO -0.22 0.18 0.34 0.45 0.09 0.00 0.00 178.44 179.28 3cwa h HIS 270 N 0.52 1.06 -0.42 1.13 3.86 -0.78 -2.20 115.15 118.32 3cwa h HIS 270 Ca 0.39 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 3cwa h HIS 270 Cb 0.51 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3cwa h HIS 270 CO -0.13 0.79 -0.16 0.82 0.86 0.00 0.00 177.93 180.11 3cwa h ILE 271 N 1.02 1.26 -0.67 2.45 2.04 -0.36 -2.86 117.51 120.39 3cwa h ILE 271 Ca 0.25 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3cwa h ILE 271 Cb 0.14 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3cwa h ILE 271 CO -0.03 0.42 0.44 -0.50 0.00 0.00 0.00 178.15 178.49 3cwa h TRP 272 N 0.71 0.84 -1.27 1.37 6.55 -0.81 -3.03 115.95 120.31 3cwa h TRP 272 Ca 0.11 0.02 -0.69 0.00 0.95 0.00 0.00 58.89 59.28 3cwa h TRP 272 Cb 0.65 -0.28 -0.30 0.00 -0.86 0.00 0.00 29.16 28.37 3cwa h TRP 272 CO 0.03 0.52 0.72 0.66 -1.05 0.00 0.00 178.44 179.32 3cwa n TYR 273 N -4.62 3.13 -3.20 0.49 4.02 -0.86 -4.64 117.16 111.48 3cwa n TYR 273 Ca 0.06 -2.78 -0.19 0.00 -0.01 0.00 0.00 57.90 54.98 3cwa n TYR 273 Cb 0.02 -1.23 -0.07 0.00 -0.02 0.00 0.00 39.34 38.05 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 -4.90 -0.15 0.00 -0.72 2.01 -1.11 -4.98 115.64 105.79 3cwa s THR 274 Ca 0.60 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.67 3cwa s THR 274 Cb 0.48 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 72.18 3cwa s THR 274 CO -0.12 -0.79 0.69 1.21 -0.69 0.00 0.00 174.62 174.93 3cwa n GLU 275 N 3.08 0.00 -0.01 4.92 2.13 -1.26 -1.78 120.64 127.72 3cwa n GLU 275 Ca 0.24 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3cwa n GLU 275 Cb 0.50 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 31.13 3cwa n GLU 275 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cwa n GLY 276 N -0.98 1.93 3.75 8.31 0.00 -1.26 -4.88 105.19 112.05 3cwa n GLY 276 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3cwa n GLY 276 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cwa s TRP 277 N 0.04 3.71 -0.12 1.61 -0.00 -0.73 -5.04 118.94 118.41 3cwa s TRP 277 Ca 0.00 1.73 -0.12 0.00 -0.00 0.00 0.00 56.10 57.71 3cwa s TRP 277 Cb 0.00 -3.19 0.03 0.00 -0.00 0.00 0.00 33.47 30.32 3cwa s TRP 277 CO 0.00 -0.25 0.34 1.14 -0.00 0.00 0.00 176.95 178.18 3cwa s GLN 278 N -0.95 0.42 1.10 5.86 -2.07 -1.26 -4.77 119.66 117.99 3cwa s GLN 278 Ca 0.45 0.42 -0.15 0.00 -1.82 0.00 0.00 55.36 54.26 3cwa s GLN 278 Cb -0.29 0.20 0.17 0.00 -1.09 0.00 0.00 33.01 32.00 3cwa s GLN 278 CO 0.36 -0.06 0.54 -0.35 -1.32 0.00 0.00 175.29 174.46 3cwa n PRO 279 N 2.77 -1.66 -2.29 9.60 -0.04 -1.26 -4.90 135.00 137.21 3cwa n PRO 279 Ca -0.14 -0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 62.45 3cwa n PRO 279 Cb 0.58 -1.96 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 3cwa n PRO 279 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cwa s ASP 280 N -2.15 6.92 0.00 3.54 1.01 -1.26 -4.85 116.67 119.88 3cwa s ASP 280 Ca 0.62 2.08 0.00 0.00 0.71 0.00 0.00 52.55 55.96 3cwa s ASP 280 Cb -0.19 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.17 3cwa s ASP 280 CO 0.65 -0.64 0.33 -0.62 0.21 0.00 0.00 175.17 175.10 3cwa n GLU 281 N 4.84 0.33 0.00 8.23 1.02 -1.26 -5.26 120.64 128.54 3cwa n GLU 281 Ca 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 3cwa n GLU 281 Cb 0.44 -1.01 0.26 0.00 -0.02 0.00 0.00 31.44 31.11 3cwa n GLU 281 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31