#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2y s ALA 2 N 0.00 0.92 -0.35 0.00 0.00 -1.26 -1.78 121.76 119.29 3i2y s ALA 2 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 3i2y s ALA 2 Cb 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3i2y s ALA 2 CO 0.00 -0.05 0.11 -1.14 0.00 0.00 0.00 175.76 174.68 3i2y s GLN 3 N 1.00 2.48 0.58 0.00 0.74 0.35 -4.97 119.66 119.85 3i2y s GLN 3 Ca -0.09 -1.33 -0.15 0.00 0.05 0.00 0.00 55.36 53.84 3i2y s GLN 3 Cb -0.14 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 3i2y s GLN 3 CO -0.00 -0.75 1.03 0.95 -0.55 0.00 0.00 175.29 175.97 3i2y s THR 4 N 1.33 4.19 -1.56 -0.34 -4.23 -1.26 -1.37 115.64 112.40 3i2y s THR 4 Ca -0.01 0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 3i2y s THR 4 Cb -0.20 -3.56 0.09 0.00 1.34 0.00 0.00 72.50 70.17 3i2y s THR 4 CO 0.01 -0.68 0.78 0.59 -0.54 0.00 0.00 174.62 174.78 3i2y n ASN 5 N -2.07 -3.06 -4.82 3.99 3.02 -0.92 -4.94 115.26 106.47 3i2y n ASN 5 Ca 0.08 -0.92 -0.31 0.00 -0.03 0.00 0.00 54.58 53.40 3i2y n ASN 5 Cb 0.53 -3.31 0.04 0.00 -0.61 0.00 0.00 39.78 36.43 3i2y n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i2y s ALA 6 N -3.46 2.73 0.47 5.41 0.00 0.16 -5.00 121.76 122.07 3i2y s ALA 6 Ca 0.51 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 3i2y s ALA 6 Cb -0.27 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3i2y s ALA 6 CO 0.88 -1.06 1.03 -2.30 0.00 0.00 0.00 175.76 174.30 3i2y n PRO 7 N -2.78 1.31 -0.15 0.00 -0.02 -1.26 -4.77 135.00 127.32 3i2y n PRO 7 Ca 0.08 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3i2y n PRO 7 Cb 0.53 -2.12 0.46 0.00 -0.02 0.00 0.00 33.50 32.35 3i2y n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3i2y h TRP 8 N 1.32 0.56 -0.53 6.00 5.08 -1.90 -1.70 115.95 124.79 3i2y h TRP 8 Ca -0.46 0.02 -0.09 0.00 1.08 0.00 0.00 58.89 59.44 3i2y h TRP 8 Cb 1.34 -0.18 -0.02 0.00 -3.00 0.00 0.00 29.16 27.30 3i2y h TRP 8 CO 0.42 0.25 -0.02 0.78 -1.28 0.00 0.00 178.44 178.59 3i2y h GLY 9 N 0.51 0.99 0.81 11.11 0.00 -1.92 0.15 103.07 114.71 3i2y h GLY 9 Ca 0.34 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3i2y h GLY 9 CO -0.11 0.65 0.01 1.41 0.00 0.00 0.00 176.54 178.49 3i2y h LEU 10 N 0.84 0.28 -1.12 3.11 3.38 -1.67 -1.80 115.31 118.33 3i2y h LEU 10 Ca 0.15 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3i2y h LEU 10 Cb 0.52 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3i2y h LEU 10 CO 0.03 0.50 0.60 0.00 0.09 0.00 0.00 178.44 179.65 3i2y h ALA 11 N 0.79 1.49 -0.62 1.53 0.00 -1.18 -2.58 119.26 118.70 3i2y h ALA 11 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i2y h ALA 11 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3i2y h ALA 11 CO 0.01 0.37 0.16 -0.09 0.00 0.00 0.00 179.25 179.70 3i2y h ARG 12 N 1.06 0.98 0.00 0.00 9.65 -0.41 -2.79 114.38 122.87 3i2y h ARG 12 Ca 0.39 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3i2y h ARG 12 Cb 0.18 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3i2y h ARG 12 CO -0.15 0.89 0.00 0.82 2.80 0.00 0.00 179.97 184.33 3i2y h ILE 13 N 0.90 0.00 -0.27 1.20 2.04 -0.92 -2.33 117.51 118.13 3i2y h ILE 13 Ca 0.19 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3i2y h ILE 13 Cb 0.34 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3i2y h ILE 13 CO 0.00 0.00 -0.00 -1.54 0.00 0.00 0.00 178.15 176.61 3i2y n SER 14 N -2.84 3.69 -4.16 1.72 3.41 -1.06 -0.24 113.62 114.13 3i2y n SER 14 Ca -0.00 -3.11 -0.22 0.00 -0.26 0.00 0.00 58.87 55.28 3i2y n SER 14 Cb 0.21 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.47 3i2y n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i2y s SER 15 N -2.03 1.87 0.00 4.04 0.15 -0.88 -4.77 113.70 112.09 3i2y s SER 15 Ca 0.42 -0.44 0.30 0.00 0.70 0.00 0.00 55.95 56.94 3i2y s SER 15 Cb 0.35 -0.15 1.52 0.00 -1.71 0.00 0.00 66.02 66.03 3i2y s SER 15 CO 0.08 0.09 2.04 0.35 1.20 0.00 0.00 173.24 177.00 3i2y n THR 16 N 2.04 0.00 -3.94 6.45 -2.24 -1.26 -4.86 114.28 110.47 3i2y n THR 16 Ca -0.17 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 3i2y n THR 16 Cb 0.54 -0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.28 3i2y n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i2y s SER 17 N -2.42 0.15 0.90 3.42 1.04 -1.26 -5.12 113.70 110.41 3i2y s SER 17 Ca 0.33 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 3i2y s SER 17 Cb 0.21 0.13 0.13 0.00 0.10 0.00 0.00 66.02 66.59 3i2y s SER 17 CO 0.44 -0.30 1.11 -2.16 0.98 0.00 0.00 173.24 173.32 3i2y s PRO 18 N -1.31 1.23 0.00 4.02 0.04 -1.26 -4.44 135.00 133.28 3i2y s PRO 18 Ca -0.14 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.41 3i2y s PRO 18 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3i2y s PRO 18 CO -0.00 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3i2y n GLY 19 N -1.75 0.66 3.68 0.56 0.00 -1.26 -5.07 105.19 102.00 3i2y n GLY 19 Ca 0.06 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3i2y n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i2y s THR 20 N -2.00 2.33 0.00 2.61 -4.23 -1.26 -5.07 115.64 108.01 3i2y s THR 20 Ca 0.00 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3i2y s THR 20 Cb 0.00 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3i2y s THR 20 CO 0.00 -0.06 0.60 -1.54 -0.54 0.00 0.00 174.62 173.08 3i2y n SER 21 N -1.09 0.64 -4.42 3.99 3.41 -1.26 -4.72 113.62 110.18 3i2y n SER 21 Ca -0.03 -1.29 -0.33 0.00 -0.26 0.00 0.00 58.87 56.95 3i2y n SER 21 Cb 0.64 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 3i2y n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i2y s THR 22 N -0.29 3.30 -0.21 6.66 2.01 -1.26 -0.67 115.64 125.17 3i2y s THR 22 Ca 0.00 -0.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 3i2y s THR 22 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3i2y s THR 22 CO 0.00 0.52 0.39 -0.47 -0.69 0.00 0.00 174.62 174.37 3i2y s TYR 23 N 0.25 3.36 -0.13 4.92 5.04 -0.47 -4.49 117.35 125.82 3i2y s TYR 23 Ca -0.07 0.58 -0.01 0.00 -2.44 0.00 0.00 57.07 55.12 3i2y s TYR 23 Cb -0.15 -2.52 -0.02 0.00 0.35 0.00 0.00 41.96 39.61 3i2y s TYR 23 CO 0.05 -0.03 -0.08 0.71 -1.34 0.00 0.00 175.55 174.85 3i2y s TYR 24 N 1.40 2.92 0.00 4.97 1.51 -1.26 -0.49 117.35 126.40 3i2y s TYR 24 Ca 0.18 -0.35 -0.27 0.00 -1.01 0.00 0.00 57.07 55.62 3i2y s TYR 24 Cb -0.15 -1.86 0.06 0.00 -0.11 0.00 0.00 41.96 39.90 3i2y s TYR 24 CO 0.08 -0.02 0.61 1.52 -1.11 0.00 0.00 175.55 176.62 3i2y s TYR 25 N 0.10 -0.55 0.27 2.71 1.13 -0.73 -4.74 117.35 115.54 3i2y s TYR 25 Ca -0.03 0.81 -0.30 0.00 -1.41 0.00 0.00 57.07 56.15 3i2y s TYR 25 Cb -0.14 0.39 -0.10 0.00 -1.10 0.00 0.00 41.96 41.01 3i2y s TYR 25 CO 0.04 -0.63 1.42 0.34 -2.51 0.00 0.00 175.55 174.21 3i2y s ASP 26 N -1.57 6.65 0.65 -0.18 2.15 -1.26 -0.45 116.67 122.65 3i2y s ASP 26 Ca -0.08 2.70 0.38 0.00 0.43 0.00 0.00 52.55 55.98 3i2y s ASP 26 Cb -0.01 -2.63 2.14 0.00 -0.30 0.00 0.00 42.92 42.12 3i2y s ASP 26 CO 0.04 -0.69 2.26 -0.33 -0.17 0.00 0.00 175.17 176.29 3i2y h GLU 27 N 4.59 0.00 -0.74 4.34 4.39 -2.01 -1.74 114.58 123.42 3i2y h GLU 27 Ca -0.47 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.32 3i2y h GLU 27 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 3i2y h GLU 27 CO 0.75 0.00 0.49 0.66 -1.16 0.00 0.00 179.01 179.74 3i2y h SER 28 N 0.00 0.61 -4.76 1.42 4.64 -1.99 -3.46 113.55 110.01 3i2y h SER 28 Ca 0.01 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.97 3i2y h SER 28 Cb 0.14 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3i2y h SER 28 CO -0.00 0.37 -0.55 0.00 -0.87 0.00 0.00 176.83 175.79 3i2y n ALA 29 N -2.46 -0.98 -1.01 5.18 0.00 -0.65 -0.87 120.51 119.72 3i2y n ALA 29 Ca 0.12 0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.73 3i2y n ALA 29 Cb 0.30 -3.06 -0.00 0.00 0.00 0.00 0.00 19.45 16.69 3i2y n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i2y n GLY 30 N -1.27 0.45 3.72 0.00 0.00 -1.26 -0.24 105.19 106.60 3i2y n GLY 30 Ca -0.08 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3i2y n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i2y n GLN 31 N -2.51 2.47 -0.42 1.61 7.27 -0.05 -1.86 117.38 123.88 3i2y n GLN 31 Ca -0.00 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.94 3i2y n GLN 31 Cb 0.07 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.10 3i2y n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i2y n GLY 32 N 2.18 1.15 3.99 1.69 0.00 -1.26 -4.81 105.19 108.13 3i2y n GLY 32 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3i2y n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2y s SER 33 N -3.08 5.62 0.00 1.61 1.04 -0.78 -0.84 113.70 117.27 3i2y s SER 33 Ca 0.00 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.01 3i2y s SER 33 Cb 0.00 -0.71 -0.00 0.00 0.10 0.00 0.00 66.02 65.41 3i2y s SER 33 CO 0.00 -0.71 -0.04 0.00 0.98 0.00 0.00 173.24 173.47 3i2y s VAL 35 N -0.22 1.23 -0.00 0.00 1.01 0.13 -0.95 120.40 121.60 3i2y s VAL 35 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 3i2y s VAL 35 Cb -0.02 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 3i2y s VAL 35 CO -0.00 0.40 0.71 -0.31 0.00 0.00 0.00 175.10 175.90 3i2y s TYR 36 N 1.40 3.67 -0.33 5.22 1.51 0.35 -1.27 117.35 127.90 3i2y s TYR 36 Ca 0.00 1.35 -0.04 0.00 -1.01 0.00 0.00 57.07 57.38 3i2y s TYR 36 Cb -0.13 -2.77 0.06 0.00 -0.11 0.00 0.00 41.96 39.00 3i2y s TYR 36 CO -0.06 0.23 0.07 0.08 -1.11 0.00 0.00 175.55 174.76 3i2y s VAL 37 N 0.19 3.30 -0.49 0.71 1.01 0.07 -0.30 120.40 124.90 3i2y s VAL 37 Ca 0.37 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 3i2y s VAL 37 Cb -0.19 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.32 3i2y s VAL 37 CO 0.20 -0.22 0.43 -0.63 0.00 0.00 0.00 175.10 174.88 3i2y s ILE 38 N 1.29 5.20 0.00 2.22 1.01 -0.75 -1.78 121.20 128.37 3i2y s ILE 38 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3i2y s ILE 38 Cb -0.20 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3i2y s ILE 38 CO -0.00 -0.65 0.00 -0.67 0.00 0.00 0.00 174.94 173.62 3i2y n ASP 39 N 5.31 0.76 -0.19 3.58 -0.08 -0.38 -4.23 116.55 121.32 3i2y n ASP 39 Ca -0.12 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.25 3i2y n ASP 39 Cb 0.43 0.00 0.44 0.00 2.34 0.00 0.00 41.12 44.33 3i2y n ASP 39 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3i2y n THR 40 N 0.00 0.08 0.00 5.18 -2.24 -1.26 -1.40 114.28 114.64 3i2y n THR 40 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3i2y n THR 40 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3i2y n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i2y n GLY 41 N 0.88 -1.36 2.78 3.38 0.00 -1.26 -4.02 105.19 105.59 3i2y n GLY 41 Ca 0.13 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 3i2y n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2y s ILE 42 N -0.78 -0.00 -1.02 -0.61 1.01 -1.26 -2.83 121.20 115.71 3i2y s ILE 42 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 3i2y s ILE 42 Cb 0.00 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.35 3i2y s ILE 42 CO 0.00 0.10 1.67 -0.70 0.00 0.00 0.00 174.94 176.02 3i2y s GLU 43 N 1.05 3.22 0.54 2.79 2.12 -1.26 -4.60 118.70 122.57 3i2y s GLU 43 Ca -0.09 -0.95 0.26 0.00 0.36 0.00 0.00 54.97 54.56 3i2y s GLU 43 Cb -0.13 -5.27 1.56 0.00 0.26 0.00 0.00 34.13 30.55 3i2y s GLU 43 CO -0.03 -2.71 2.15 0.00 -0.54 0.00 0.00 175.26 174.13 3i2y h ALA 44 N 10.05 1.48 0.00 6.30 0.00 -1.96 -1.95 119.26 133.17 3i2y h ALA 44 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i2y h ALA 44 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i2y h ALA 44 CO 1.35 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 179.55 3i2y n SER 45 N -3.86 0.00 -4.70 0.00 3.41 -1.26 -4.63 113.62 102.58 3i2y n SER 45 Ca -0.02 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 3i2y n SER 45 Cb 0.16 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 3i2y n SER 45 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3i2y n HIS 46 N -1.45 2.64 -0.14 7.33 -0.00 -0.74 -4.84 115.22 118.03 3i2y n HIS 46 Ca 0.06 -0.10 0.27 0.00 0.46 0.00 0.00 57.72 58.41 3i2y n HIS 46 Cb 0.23 -2.72 0.72 0.00 -0.12 0.00 0.00 29.99 28.10 3i2y n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3i2y h PRO 47 N 8.14 0.00 0.00 1.57 0.11 -1.91 -0.61 132.00 139.30 3i2y h PRO 47 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i2y h PRO 47 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i2y h PRO 47 CO 0.95 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.66 3i2y h GLU 48 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.33 114.58 115.75 3i2y h GLU 48 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3i2y h GLU 48 Cb 1.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 3i2y h GLU 48 CO -0.00 0.00 -0.88 1.19 -1.16 0.00 0.00 179.01 178.16 3i2y n PHE 49 N -3.18 0.39 -2.52 4.33 3.72 -0.24 -1.19 117.46 118.78 3i2y n PHE 49 Ca -0.03 0.11 -0.18 0.00 -0.05 0.00 0.00 57.45 57.31 3i2y n PHE 49 Cb 0.10 -0.53 -0.00 0.00 -0.94 0.00 0.00 39.48 38.10 3i2y n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3i2y n GLU 50 N -2.04 -2.28 -0.95 -1.08 1.02 -0.88 -0.69 120.64 113.74 3i2y n GLU 50 Ca 0.02 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3i2y n GLU 50 Cb 0.44 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 3i2y n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i2y n GLY 51 N -0.98 0.90 0.24 0.62 0.00 -1.26 -4.90 105.19 99.81 3i2y n GLY 51 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3i2y n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i2y n ARG 52 N -2.16 0.92 -4.19 1.61 1.74 0.13 -4.86 116.66 109.85 3i2y n ARG 52 Ca 0.00 -0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 56.29 3i2y n ARG 52 Cb 0.00 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 3i2y n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i2y s ALA 53 N -2.41 3.32 -0.06 7.54 0.00 -1.26 -0.65 121.76 128.24 3i2y s ALA 53 Ca 0.28 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 3i2y s ALA 53 Cb 0.20 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 22.07 3i2y s ALA 53 CO 0.48 0.68 0.49 -0.65 0.00 0.00 0.00 175.76 176.76 3i2y s GLN 54 N -1.97 0.80 0.06 0.00 -0.21 -0.57 -4.81 119.66 112.97 3i2y s GLN 54 Ca 0.23 0.16 -0.29 0.00 0.02 0.00 0.00 55.36 55.48 3i2y s GLN 54 Cb -0.12 0.37 -0.05 0.00 1.00 0.00 0.00 33.01 34.22 3i2y s GLN 54 CO 0.15 -0.22 0.94 -1.64 -2.12 0.00 0.00 175.29 172.40 3i2y s MET 55 N -0.96 4.62 -0.00 2.91 -1.94 -1.26 -0.54 119.30 122.13 3i2y s MET 55 Ca -0.10 1.37 0.03 0.00 -1.71 0.00 0.00 55.69 55.29 3i2y s MET 55 Cb -0.03 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 3i2y s MET 55 CO 0.06 0.12 0.12 1.33 -0.01 0.00 0.00 175.02 176.64 3i2y n VAL 56 N 3.23 0.00 -3.63 -6.03 0.24 -0.20 -4.85 118.33 107.08 3i2y n VAL 56 Ca 0.03 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 3i2y n VAL 56 Cb 0.50 0.77 -0.07 0.00 -1.47 0.00 0.00 33.84 33.57 3i2y n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i2y s LYS 57 N -1.69 0.73 0.04 7.34 2.47 -1.13 -5.04 119.74 122.47 3i2y s LYS 57 Ca 0.00 0.84 -0.00 0.00 -1.56 0.00 0.00 55.97 55.25 3i2y s LYS 57 Cb 0.02 0.36 -0.03 0.00 -1.46 0.00 0.00 37.83 36.72 3i2y s LYS 57 CO 0.14 -0.09 -0.04 -0.08 0.16 0.00 0.00 175.35 175.44 3i2y s THR 58 N 0.27 0.23 -0.70 3.43 -1.32 -1.26 -0.67 115.64 115.62 3i2y s THR 58 Ca 0.01 -1.45 0.09 0.00 -1.21 0.00 0.00 61.69 59.13 3i2y s THR 58 Cb -0.05 -1.02 0.25 0.00 -1.51 0.00 0.00 72.50 70.17 3i2y s THR 58 CO -0.01 -0.77 1.21 -1.22 -2.21 0.00 0.00 174.62 171.62 3i2y n TYR 59 N 0.72 0.38 -4.60 9.09 4.01 -1.08 -4.96 117.16 120.73 3i2y n TYR 59 Ca -0.18 -0.52 -0.27 0.00 -0.16 0.00 0.00 57.90 56.77 3i2y n TYR 59 Cb 0.58 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.51 3i2y n TYR 59 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3i2y n TYR 60 N 0.25 0.69 0.39 -0.72 4.01 -1.26 -5.03 117.16 115.49 3i2y n TYR 60 Ca 0.10 -2.37 0.12 0.00 -0.16 0.00 0.00 57.90 55.59 3i2y n TYR 60 Cb 0.41 -0.18 0.50 0.00 -0.31 0.00 0.00 39.34 39.76 3i2y n TYR 60 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3i2y n TYR 61 N -1.04 0.86 -4.01 -0.72 4.02 -1.26 -4.68 117.16 110.32 3i2y n TYR 61 Ca -0.14 0.34 -0.08 0.00 -0.01 0.00 0.00 57.90 58.01 3i2y n TYR 61 Cb 0.58 -1.05 -0.10 0.00 -0.02 0.00 0.00 39.34 38.76 3i2y n TYR 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3i2y s SER 62 N -4.32 0.34 0.00 7.72 0.15 -1.26 -5.02 113.70 111.31 3i2y s SER 62 Ca 0.04 -0.79 0.26 0.00 0.70 0.00 0.00 55.95 56.16 3i2y s SER 62 Cb 0.09 0.21 0.63 0.00 -1.71 0.00 0.00 66.02 65.24 3i2y s SER 62 CO 0.40 -0.55 1.49 -1.54 1.20 0.00 0.00 173.24 174.23 3i2y n SER 63 N 0.44 1.51 -4.76 5.45 3.41 -1.26 -4.80 113.62 113.61 3i2y n SER 63 Ca -0.17 -1.25 -0.41 0.00 -0.26 0.00 0.00 58.87 56.78 3i2y n SER 63 Cb 0.60 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 3i2y n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2y s ARG 64 N -2.34 4.26 -0.75 4.33 3.03 -1.26 -4.55 118.95 121.68 3i2y s ARG 64 Ca 0.27 2.34 -0.27 0.00 2.03 0.00 0.00 55.73 60.10 3i2y s ARG 64 Cb 0.19 -3.06 0.03 0.00 -1.03 0.00 0.00 34.95 31.08 3i2y s ARG 64 CO 0.47 -0.37 1.28 0.34 -1.13 0.00 0.00 175.30 175.88 3i2y s ASP 65 N -0.03 6.17 -0.02 -2.89 2.15 -1.26 -4.83 116.67 115.97 3i2y s ASP 65 Ca 0.55 -0.50 0.15 0.00 0.43 0.00 0.00 52.55 53.17 3i2y s ASP 65 Cb -0.42 -2.56 0.45 0.00 -0.30 0.00 0.00 42.92 40.09 3i2y s ASP 65 CO 0.51 -1.81 1.36 0.61 -0.17 0.00 0.00 175.17 175.66 3i2y n GLY 66 N 5.43 1.45 0.65 2.66 0.00 -1.26 -4.44 105.19 109.69 3i2y n GLY 66 Ca 0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 3i2y n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i2y n ASN 67 N 0.89 1.23 0.00 1.61 2.85 -1.26 -4.91 115.26 115.67 3i2y n ASN 67 Ca 0.17 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 3i2y n ASN 67 Cb 0.47 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.04 3i2y n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i2y n GLY 68 N 2.53 0.82 0.24 8.20 0.00 -1.26 -4.87 105.19 110.84 3i2y n GLY 68 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 3i2y n GLY 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3i2y h HIS 69 N 0.00 0.74 -0.68 1.61 2.07 -1.94 0.07 115.15 117.01 3i2y h HIS 69 Ca 0.00 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.48 3i2y h HIS 69 Cb 0.00 -0.25 -0.03 0.00 2.57 0.00 0.00 27.41 29.70 3i2y h HIS 69 CO 0.00 0.47 0.19 0.78 -3.07 0.00 0.00 177.93 176.30 3i2y h GLY 70 N 0.79 1.14 1.13 6.13 0.00 -1.89 -1.35 103.07 109.02 3i2y h GLY 70 Ca 0.21 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3i2y h GLY 70 CO -0.05 0.64 0.16 -0.84 0.00 0.00 0.00 176.54 176.46 3i2y h THR 71 N 1.02 1.26 0.02 4.70 2.02 -1.23 -0.14 112.91 120.55 3i2y h THR 71 Ca 0.22 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 3i2y h THR 71 Cb 0.32 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3i2y h THR 71 CO -0.00 0.36 -0.01 -0.74 0.37 0.00 0.00 175.52 175.50 3i2y h HIS 72 N 1.03 -0.02 -0.36 3.16 6.17 -0.62 -0.78 115.15 123.73 3i2y h HIS 72 Ca 0.22 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.31 3i2y h HIS 72 Cb 0.36 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 3i2y h HIS 72 CO 0.03 0.16 0.22 0.00 0.71 0.00 0.00 177.93 179.05 3i2y h ALA 74 N 1.15 1.53 -0.86 0.00 0.00 -0.93 -1.78 119.26 118.38 3i2y h ALA 74 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i2y h ALA 74 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3i2y h ALA 74 CO -0.06 0.39 0.47 0.78 0.00 0.00 0.00 179.25 180.84 3i2y h GLY 75 N 0.97 1.27 1.71 0.00 0.00 -0.39 -0.83 103.07 105.80 3i2y h GLY 75 Ca 0.31 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 3i2y h GLY 75 CO -0.09 0.54 -0.49 -0.84 0.00 0.00 0.00 176.54 175.66 3i2y h THR 76 N 1.19 1.34 0.17 4.70 2.02 -0.62 -1.23 112.91 120.48 3i2y h THR 76 Ca 0.30 -1.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 3i2y h THR 76 Cb 0.02 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3i2y h THR 76 CO -0.05 0.51 -0.08 0.58 0.37 0.00 0.00 175.52 176.85 3i2y h VAL 77 N 0.25 0.94 0.00 3.16 2.07 -0.90 -0.92 116.25 120.86 3i2y h VAL 77 Ca 0.01 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3i2y h VAL 77 Cb 0.95 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3i2y h VAL 77 CO 0.08 0.13 -0.09 0.61 0.02 0.00 0.00 177.57 178.31 3i2y n GLY 78 N -0.46 -0.63 3.77 2.17 0.00 -0.36 -0.78 105.19 108.91 3i2y n GLY 78 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3i2y n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2y s SER 79 N -0.18 4.86 0.19 1.61 1.04 -0.50 -4.53 113.70 116.18 3i2y s SER 79 Ca 0.00 1.93 -0.12 0.00 0.48 0.00 0.00 55.95 58.24 3i2y s SER 79 Cb 0.00 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.69 3i2y s SER 79 CO 0.00 -1.80 1.85 -0.09 0.98 0.00 0.00 173.24 174.18 3i2y h ARG 80 N -0.45 0.86 0.08 4.02 2.43 -1.43 -1.09 114.38 118.80 3i2y h ARG 80 Ca -0.45 -0.06 -0.37 0.00 -0.81 0.00 0.00 59.98 58.29 3i2y h ARG 80 Cb 1.24 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3i2y h ARG 80 CO 0.53 0.58 -2.12 2.41 -1.51 0.00 0.00 179.97 179.87 3i2y n THR 81 N -4.62 1.68 0.79 0.20 -1.04 -1.26 -4.54 114.28 105.49 3i2y n THR 81 Ca 0.05 -0.60 0.11 0.00 -2.04 0.00 0.00 64.05 61.57 3i2y n THR 81 Cb 0.03 -1.66 0.10 0.00 -1.82 0.00 0.00 70.33 66.98 3i2y n THR 81 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i2y n TYR 82 N -3.48 0.07 -3.95 -1.42 4.01 -1.24 -4.73 117.16 106.42 3i2y n TYR 82 Ca -0.37 -0.04 -0.30 0.00 -0.16 0.00 0.00 57.90 57.04 3i2y n TYR 82 Cb 1.01 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.00 3i2y n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i2y s GLY 83 N -1.70 2.06 0.00 2.72 0.00 -0.41 -4.11 107.32 105.87 3i2y s GLY 83 Ca 0.26 -0.92 -0.21 0.00 0.00 0.00 0.00 44.72 43.85 3i2y s GLY 83 CO 0.27 -0.90 1.18 -2.08 0.00 0.00 0.00 173.10 171.56 3i2y h VAL 84 N 2.08 1.43 -3.46 1.40 2.07 -0.80 -3.41 116.25 115.58 3i2y h VAL 84 Ca -0.46 -1.72 -0.68 0.00 0.82 0.00 0.00 66.70 64.66 3i2y h VAL 84 Cb 1.17 2.35 -0.37 0.00 -1.52 0.00 0.00 31.29 32.92 3i2y h VAL 84 CO 0.72 0.49 -0.38 0.00 0.02 0.00 0.00 177.57 178.43 3i2y s ALA 85 N -3.63 3.67 -1.50 1.67 0.00 0.04 -4.92 121.76 117.08 3i2y s ALA 85 Ca -0.14 -3.41 0.24 0.00 0.00 0.00 0.00 51.96 48.64 3i2y s ALA 85 Cb 0.03 -2.58 1.24 0.00 0.00 0.00 0.00 23.12 21.81 3i2y s ALA 85 CO 0.77 -2.11 1.79 1.63 0.00 0.00 0.00 175.76 177.85 3i2y n LYS 86 N 3.11 0.39 -0.01 0.00 5.02 -1.02 -2.48 118.16 123.17 3i2y n LYS 86 Ca 0.11 0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.46 3i2y n LYS 86 Cb 0.36 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3i2y n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i2y n LYS 87 N -1.25 2.38 -1.35 1.97 4.01 0.67 -4.70 118.16 119.90 3i2y n LYS 87 Ca 0.12 -1.42 -0.31 0.00 -0.51 0.00 0.00 58.31 56.19 3i2y n LYS 87 Cb 0.18 -0.95 0.09 0.00 -0.51 0.00 0.00 35.03 33.83 3i2y n LYS 87 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3i2y s THR 88 N -0.97 3.40 -0.10 -0.18 -1.32 -1.03 -3.92 115.64 111.51 3i2y s THR 88 Ca 0.02 0.45 -0.15 0.00 -1.21 0.00 0.00 61.69 60.80 3i2y s THR 88 Cb 0.02 -3.02 -0.05 0.00 -1.51 0.00 0.00 72.50 67.94 3i2y s THR 88 CO 0.00 -0.59 0.38 -1.10 -2.21 0.00 0.00 174.62 171.10 3i2y s GLN 89 N -4.96 4.15 -0.14 7.08 -1.52 -0.99 -4.88 119.66 118.40 3i2y s GLN 89 Ca 0.61 0.30 -0.02 0.00 -1.95 0.00 0.00 55.36 54.30 3i2y s GLN 89 Cb -0.16 -3.36 -0.02 0.00 -0.22 0.00 0.00 33.01 29.25 3i2y s GLN 89 CO 0.56 0.37 -0.07 -0.51 -0.25 0.00 0.00 175.29 175.38 3i2y s LEU 90 N -0.00 3.04 -0.16 2.90 1.43 0.17 -0.69 118.68 125.38 3i2y s LEU 90 Ca 0.22 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3i2y s LEU 90 Cb -0.15 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3i2y s LEU 90 CO 0.09 0.17 -0.20 -0.36 0.23 0.00 0.00 176.35 176.28 3i2y s PHE 91 N 0.33 2.63 -0.09 0.29 0.08 -0.40 -1.51 117.98 119.31 3i2y s PHE 91 Ca -0.07 -1.44 -0.16 0.00 0.12 0.00 0.00 56.93 55.38 3i2y s PHE 91 Cb -0.15 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3i2y s PHE 91 CO 0.04 -0.69 0.42 0.20 -0.10 0.00 0.00 175.22 175.08 3i2y s GLY 92 N 1.09 2.39 -0.25 4.36 0.00 0.30 -0.75 107.32 114.46 3i2y s GLY 92 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.47 3i2y s GLY 92 CO -0.07 0.50 -0.04 0.14 0.00 0.00 0.00 173.10 173.62 3i2y s VAL 93 N 0.03 1.56 -0.92 1.40 1.01 -0.74 -1.03 120.40 121.70 3i2y s VAL 93 Ca 0.23 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 3i2y s VAL 93 Cb -0.15 -1.86 0.11 0.00 0.00 0.00 0.00 36.38 34.48 3i2y s VAL 93 CO 0.10 -0.16 1.17 -0.75 0.00 0.00 0.00 175.10 175.46 3i2y s LYS 94 N 1.37 3.56 0.02 2.72 2.20 0.16 -1.25 119.74 128.51 3i2y s LYS 94 Ca -0.04 -1.57 0.22 0.00 -0.36 0.00 0.00 55.97 54.22 3i2y s LYS 94 Cb -0.19 -4.94 -0.02 0.00 -1.51 0.00 0.00 37.83 31.17 3i2y s LYS 94 CO -0.07 -1.85 0.99 1.33 -0.36 0.00 0.00 175.35 175.39 3i2y n VAL 95 N 5.77 0.06 -4.58 4.02 0.24 -0.49 -2.62 118.33 120.73 3i2y n VAL 95 Ca 0.23 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 62.06 3i2y n VAL 95 Cb 0.49 0.50 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 3i2y n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i2y s LEU 96 N -3.48 3.20 0.00 1.34 1.43 -0.67 -4.49 118.68 116.01 3i2y s LEU 96 Ca 0.05 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 3i2y s LEU 96 Cb 0.15 -1.71 0.21 0.00 0.03 0.00 0.00 46.19 44.87 3i2y s LEU 96 CO 0.82 0.34 0.92 -0.90 0.23 0.00 0.00 176.35 177.76 3i2y n ASP 97 N 2.40 -1.02 0.00 2.29 5.68 0.10 -4.33 116.55 121.67 3i2y n ASP 97 Ca -0.18 -1.17 0.10 0.00 -0.50 0.00 0.00 54.79 53.04 3i2y n ASP 97 Cb 0.53 -0.78 0.49 0.00 -1.14 0.00 0.00 41.12 40.22 3i2y n ASP 97 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3i2y n ASP 98 N -4.11 0.00 -0.42 -1.12 8.00 -1.26 -0.81 116.55 116.83 3i2y n ASP 98 Ca 0.12 0.16 0.13 0.00 0.71 0.00 0.00 54.79 55.92 3i2y n ASP 98 Cb 0.45 -0.36 0.40 0.00 -0.02 0.00 0.00 41.12 41.59 3i2y n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3i2y n ASN 99 N -1.36 1.44 0.00 -2.24 5.03 -1.26 -4.21 115.26 112.66 3i2y n ASN 99 Ca 0.08 -1.28 0.00 0.00 0.87 0.00 0.00 54.58 54.25 3i2y n ASN 99 Cb 0.19 0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 3i2y n ASN 99 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i2y n GLY 100 N 1.27 0.55 3.74 7.41 0.00 0.01 -5.05 105.19 113.12 3i2y n GLY 100 Ca 0.15 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3i2y n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i2y s SER 101 N -2.32 5.22 -0.26 1.61 0.01 -1.26 -4.79 113.70 111.91 3i2y s SER 101 Ca 0.00 -0.20 -0.21 0.00 1.31 0.00 0.00 55.95 56.84 3i2y s SER 101 Cb 0.00 -1.28 0.07 0.00 0.21 0.00 0.00 66.02 65.02 3i2y s SER 101 CO 0.00 0.10 0.69 -0.83 0.41 0.00 0.00 173.24 173.61 3i2y s GLY 102 N -2.86 -0.55 0.37 3.44 0.00 -1.26 0.02 107.32 106.47 3i2y s GLY 102 Ca 0.29 2.09 -0.27 0.00 0.00 0.00 0.00 44.72 46.83 3i2y s GLY 102 CO 0.21 1.91 1.21 1.20 0.00 0.00 0.00 173.10 177.63 3i2y s GLN 103 N 0.78 4.20 0.37 2.90 1.11 -1.26 -4.88 119.66 122.87 3i2y s GLN 103 Ca -0.03 1.98 0.09 0.00 0.01 0.00 0.00 55.36 57.41 3i2y s GLN 103 Cb -0.05 -2.86 0.84 0.00 -1.01 0.00 0.00 33.01 29.93 3i2y s GLN 103 CO -0.06 -0.24 1.89 1.88 0.01 0.00 0.00 175.29 178.78 3i2y h TYR 104 N 3.00 0.76 -0.59 0.91 0.05 -1.99 -0.86 116.97 118.24 3i2y h TYR 104 Ca -0.49 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 3i2y h TYR 104 Cb 1.23 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 3i2y h TYR 104 CO 0.55 0.31 0.31 1.03 -1.05 0.00 0.00 178.16 179.31 3i2y h SER 105 N 0.67 0.73 -0.14 3.88 0.87 -1.99 0.91 113.55 118.47 3i2y h SER 105 Ca 0.41 -0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.74 3i2y h SER 105 Cb 0.66 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3i2y h SER 105 CO -0.17 0.60 -0.60 0.74 -0.53 0.00 0.00 176.83 176.87 3i2y h THR 106 N 0.83 1.32 -0.70 2.23 2.02 -1.56 -1.89 112.91 115.16 3i2y h THR 106 Ca 0.21 -1.86 0.02 0.00 0.77 0.00 0.00 66.41 65.55 3i2y h THR 106 Cb 0.04 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3i2y h THR 106 CO -0.03 0.58 0.45 0.40 0.37 0.00 0.00 175.52 177.29 3i2y h ILE 107 N 0.33 1.15 -0.32 3.11 2.04 -0.94 -0.47 117.51 122.40 3i2y h ILE 107 Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3i2y h ILE 107 Cb 1.24 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3i2y h ILE 107 CO 0.13 0.17 0.16 0.40 0.00 0.00 0.00 178.15 179.00 3i2y h ILE 108 N 0.91 1.16 -1.00 -0.67 2.04 -0.83 -1.86 117.51 117.26 3i2y h ILE 108 Ca 0.27 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.75 3i2y h ILE 108 Cb -0.06 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 3i2y h ILE 108 CO -0.08 0.16 0.64 0.00 0.00 0.00 0.00 178.15 178.88 3i2y h ALA 109 N 1.01 1.40 -0.75 1.87 0.00 -0.97 -1.54 119.26 120.28 3i2y h ALA 109 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3i2y h ALA 109 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i2y h ALA 109 CO -0.01 0.41 0.26 0.78 0.00 0.00 0.00 179.25 180.68 3i2y h GLY 110 N 1.15 1.23 0.81 0.00 0.00 -0.62 0.61 103.07 106.24 3i2y h GLY 110 Ca 0.44 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3i2y h GLY 110 CO -0.19 0.66 0.02 -0.33 0.00 0.00 0.00 176.54 176.71 3i2y h MET 111 N 1.11 0.26 -0.22 4.80 2.07 -0.72 -1.77 114.93 120.47 3i2y h MET 111 Ca 0.25 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.76 3i2y h MET 111 Cb 0.27 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 3i2y h MET 111 CO -0.01 0.45 -0.04 -0.44 1.07 0.00 0.00 176.91 177.94 3i2y h ASP 112 N 0.04 0.30 -0.13 1.22 3.32 -1.16 -2.19 116.42 117.83 3i2y h ASP 112 Ca 0.05 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i2y h ASP 112 Cb 0.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3i2y h ASP 112 CO 0.00 0.39 0.06 0.15 -1.72 0.00 0.00 179.24 178.12 3i2y h PHE 113 N 0.31 0.10 -0.92 4.55 3.04 -0.63 -2.72 116.94 120.68 3i2y h PHE 113 Ca 0.07 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 3i2y h PHE 113 Cb 0.28 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 3i2y h PHE 113 CO 0.01 0.06 0.56 0.28 -2.02 0.00 0.00 178.31 177.19 3i2y h VAL 114 N 0.13 1.25 -0.76 1.41 2.07 -0.78 0.45 116.25 120.02 3i2y h VAL 114 Ca 0.05 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3i2y h VAL 114 Cb 0.02 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.69 3i2y h VAL 114 CO -0.04 0.26 0.50 0.00 0.02 0.00 0.00 177.57 178.31 3i2y h ALA 115 N 1.31 1.61 0.12 1.67 0.00 -1.20 -2.11 119.26 120.67 3i2y h ALA 115 Ca 0.33 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 3i2y h ALA 115 Cb -0.06 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i2y h ALA 115 CO -0.06 0.29 -0.95 1.03 0.00 0.00 0.00 179.25 179.55 3i2y h SER 116 N 0.86 0.41 -0.04 0.00 0.87 -1.11 -3.38 113.55 111.17 3i2y h SER 116 Ca 0.32 -0.92 0.01 0.00 -1.23 0.00 0.00 61.79 59.97 3i2y h SER 116 Cb 0.16 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3i2y h SER 116 CO -0.10 1.44 0.03 -0.78 -0.53 0.00 0.00 176.83 176.88 3i2y h ASP 117 N -0.40 0.00 -0.03 6.23 3.58 0.29 -1.37 116.42 124.73 3i2y h ASP 117 Ca -0.19 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.27 3i2y h ASP 117 Cb 1.64 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.69 3i2y h ASP 117 CO 0.11 0.00 0.03 0.07 -2.88 0.00 0.00 179.24 176.57 3i2y h LYS 118 N 0.00 0.00 0.00 0.28 2.10 -1.58 0.19 116.57 117.56 3i2y h LYS 118 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3i2y h LYS 118 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3i2y h LYS 118 CO -0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3i2y n ASN 119 N -3.82 0.00 -0.89 7.07 5.03 -0.52 -2.14 115.26 119.99 3i2y n ASN 119 Ca -0.02 0.26 0.08 0.00 0.87 0.00 0.00 54.58 55.76 3i2y n ASN 119 Cb 0.12 -0.39 0.20 0.00 -1.02 0.00 0.00 39.78 38.69 3i2y n ASN 119 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3i2y n ASN 120 N -1.39 3.21 -4.35 6.41 3.02 0.65 -5.00 115.26 117.81 3i2y n ASN 120 Ca 0.07 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.44 3i2y n ASN 120 Cb 0.18 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 3i2y n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3i2y s ARG 121 N -1.05 1.33 -0.47 3.52 1.81 -0.91 -5.11 118.95 118.07 3i2y s ARG 121 Ca 0.32 -1.47 -0.17 0.00 -1.72 0.00 0.00 55.73 52.69 3i2y s ARG 121 Cb 0.17 -1.36 0.06 0.00 -0.45 0.00 0.00 34.95 33.37 3i2y s ARG 121 CO 0.23 0.27 0.45 -0.80 -0.68 0.00 0.00 175.30 174.77 3i2y s ASN 122 N -2.83 6.17 -0.38 0.23 -0.87 -1.26 -4.94 114.94 111.06 3i2y s ASN 122 Ca 0.18 -1.14 0.11 0.00 -1.57 0.00 0.00 52.86 50.44 3i2y s ASN 122 Cb -0.05 -2.21 0.33 0.00 -0.02 0.00 0.00 41.25 39.30 3i2y s ASN 122 CO 0.07 -0.69 0.70 0.00 -2.57 0.00 0.00 177.10 174.61 3i2y h PRO 124 N 3.21 0.00 0.00 0.00 0.13 -1.79 -1.26 132.00 132.28 3i2y h PRO 124 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3i2y h PRO 124 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3i2y h PRO 124 CO 0.48 0.00 -0.59 1.63 -0.23 0.00 0.00 178.00 179.29 3i2y n LYS 125 N -4.01 0.14 0.00 0.86 4.76 -0.02 -5.02 118.16 114.87 3i2y n LYS 125 Ca -0.02 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3i2y n LYS 125 Cb 0.13 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 3i2y n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i2y n GLY 126 N 1.43 2.90 3.10 0.72 0.00 -0.48 -4.37 105.19 108.49 3i2y n GLY 126 Ca 0.04 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 3i2y n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2y s VAL 127 N -2.00 1.24 0.09 1.61 1.01 -1.26 -1.64 120.40 119.44 3i2y s VAL 127 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3i2y s VAL 127 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3i2y s VAL 127 CO 0.00 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 3i2y s VAL 128 N 0.02 1.45 -0.04 2.92 1.01 -0.13 -1.20 120.40 124.43 3i2y s VAL 128 Ca -0.02 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.54 3i2y s VAL 128 Cb -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3i2y s VAL 128 CO 0.01 -0.14 -0.13 0.00 0.00 0.00 0.00 175.10 174.85 3i2y s ALA 129 N -1.23 1.20 -0.23 5.51 0.00 0.50 -0.49 121.76 127.02 3i2y s ALA 129 Ca 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 3i2y s ALA 129 Cb -0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3i2y s ALA 129 CO 0.03 0.18 -0.04 0.45 0.00 0.00 0.00 175.76 176.38 3i2y s SER 130 N 0.28 4.32 -0.59 0.00 0.15 0.59 -1.07 113.70 117.38 3i2y s SER 130 Ca -0.07 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.14 3i2y s SER 130 Cb -0.12 -1.73 0.15 0.00 -1.71 0.00 0.00 66.02 62.61 3i2y s SER 130 CO 0.02 -0.04 0.37 -0.76 1.20 0.00 0.00 173.24 174.03 3i2y s LEU 131 N 1.46 4.69 -1.27 3.45 1.43 -0.05 -1.81 118.68 126.58 3i2y s LEU 131 Ca 0.05 -3.13 -0.08 0.00 -1.03 0.00 0.00 54.13 49.94 3i2y s LEU 131 Cb -0.15 -1.71 0.17 0.00 0.03 0.00 0.00 46.19 44.54 3i2y s LEU 131 CO -0.03 -0.24 1.94 -1.20 0.23 0.00 0.00 176.35 177.04 3i2y n SER 132 N 3.01 5.78 -3.53 2.29 7.64 -1.26 -1.80 113.62 125.75 3i2y n SER 132 Ca 0.09 -3.15 -0.07 0.00 1.01 0.00 0.00 58.87 56.74 3i2y n SER 132 Cb 0.34 -1.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3i2y n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3i2y s LEU 133 N -0.80 -0.16 0.00 -3.43 0.05 -1.26 -4.88 118.68 108.21 3i2y s LEU 133 Ca 0.41 -0.77 0.00 0.00 0.05 0.00 0.00 54.13 53.82 3i2y s LEU 133 Cb 0.11 2.70 0.00 0.00 -2.05 0.00 0.00 46.19 46.95 3i2y s LEU 133 CO -0.01 -1.41 0.00 0.61 -0.55 0.00 0.00 176.35 174.99 3i2y n GLY 134 N -0.49 1.95 0.00 -3.48 0.00 -1.26 -4.45 105.19 97.46 3i2y n GLY 134 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3i2y n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2y n GLY 135 N -0.90 3.38 3.66 -0.02 0.00 -0.48 -4.99 105.19 105.85 3i2y n GLY 135 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3i2y n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2y s GLY 136 N 0.00 1.63 0.16 -0.02 0.00 -1.26 -1.04 107.32 106.79 3i2y s GLY 136 Ca 0.00 0.16 -0.34 0.00 0.00 0.00 0.00 44.72 44.54 3i2y s GLY 136 CO 0.00 0.66 1.47 2.98 0.00 0.00 0.00 173.10 178.21 3i2y n TYR 137 N -4.16 2.06 -3.64 1.90 9.36 -0.65 -3.58 117.16 118.44 3i2y n TYR 137 Ca 0.08 0.40 -0.14 0.00 3.32 0.00 0.00 57.90 61.55 3i2y n TYR 137 Cb 0.54 -2.47 -0.13 0.00 -0.63 0.00 0.00 39.34 36.64 3i2y n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3i2y s SER 138 N 0.65 0.48 0.39 2.98 0.15 -1.26 -4.92 113.70 112.16 3i2y s SER 138 Ca 0.77 0.49 0.07 0.00 0.70 0.00 0.00 55.95 57.99 3i2y s SER 138 Cb -0.73 0.63 0.79 0.00 -1.71 0.00 0.00 66.02 65.00 3i2y s SER 138 CO 0.43 -0.25 1.97 0.77 1.20 0.00 0.00 173.24 177.36 3i2y h SER 139 N 8.30 0.38 -0.36 5.45 4.64 -1.99 -1.65 113.55 128.32 3i2y h SER 139 Ca -0.14 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.98 3i2y h SER 139 Cb 1.12 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3i2y h SER 139 CO 0.15 0.40 -0.37 0.28 -0.87 0.00 0.00 176.83 176.42 3i2y h SER 140 N 0.42 0.97 -0.32 4.97 0.02 -1.98 0.01 113.55 117.62 3i2y h SER 140 Ca 0.10 -0.43 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 3i2y h SER 140 Cb 0.18 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3i2y h SER 140 CO -0.00 1.22 -0.02 0.58 -1.14 0.00 0.00 176.83 177.47 3i2y h VAL 141 N 0.75 1.26 -0.65 2.27 2.07 -1.88 -1.68 116.25 118.39 3i2y h VAL 141 Ca 0.06 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.60 3i2y h VAL 141 Cb 0.95 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3i2y h VAL 141 CO 0.09 0.33 0.42 0.78 0.02 0.00 0.00 177.57 179.21 3i2y h ASN 142 N 0.38 0.71 -0.61 0.57 4.21 -1.24 -2.05 115.58 117.56 3i2y h ASN 142 Ca 0.09 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.54 3i2y h ASN 142 Cb 0.48 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 3i2y h ASN 142 CO 0.02 0.51 0.20 -1.28 -1.29 0.00 0.00 177.43 175.59 3i2y h SER 143 N 0.84 0.90 -0.46 5.81 0.87 -0.87 0.05 113.55 120.70 3i2y h SER 143 Ca 0.25 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3i2y h SER 143 Cb -0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 3i2y h SER 143 CO -0.07 0.85 0.20 0.00 -0.53 0.00 0.00 176.83 177.28 3i2y h ALA 144 N 1.28 0.59 -0.80 6.23 0.00 -1.01 -0.08 119.26 125.47 3i2y h ALA 144 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i2y h ALA 144 Cb 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3i2y h ALA 144 CO -0.01 0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.85 3i2y h ALA 145 N 1.05 1.02 -0.82 0.00 0.00 -0.97 -1.44 119.26 118.10 3i2y h ALA 145 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3i2y h ALA 145 Cb 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3i2y h ALA 145 CO -0.02 0.53 0.38 0.00 0.00 0.00 0.00 179.25 180.15 3i2y h ALA 146 N 1.23 1.06 -0.39 0.00 0.00 -0.69 -1.57 119.26 118.91 3i2y h ALA 146 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3i2y h ALA 146 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3i2y h ALA 146 CO -0.05 0.64 0.14 0.00 0.00 0.00 0.00 179.25 179.98 3i2y h ARG 147 N 1.17 0.59 -0.33 0.00 3.08 -0.65 0.36 114.38 118.59 3i2y h ARG 147 Ca 0.28 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.25 3i2y h ARG 147 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3i2y h ARG 147 CO -0.03 0.58 0.13 1.25 -1.07 0.00 0.00 179.97 180.82 3i2y h LEU 148 N 0.48 0.16 -0.10 3.04 5.85 -1.00 0.01 115.31 123.75 3i2y h LEU 148 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3i2y h LEU 148 Cb 0.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3i2y h LEU 148 CO -0.01 0.13 0.06 -0.61 -0.34 0.00 0.00 178.44 177.67 3i2y h GLN 149 N 0.28 0.12 -0.45 1.25 5.75 -1.14 -2.66 115.11 118.25 3i2y h GLN 149 Ca 0.15 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 3i2y h GLN 149 Cb 0.10 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3i2y h GLN 149 CO -0.14 0.08 0.31 0.66 -2.65 0.00 0.00 178.83 177.09 3i2y h SER 150 N 0.12 0.30 0.49 -0.69 4.64 -0.37 -1.62 113.55 116.43 3i2y h SER 150 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i2y h SER 150 Cb -0.01 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3i2y h SER 150 CO -0.01 0.20 0.00 -1.54 -0.87 0.00 0.00 176.83 174.60 3i2y n SER 151 N -4.47 0.00 0.00 4.97 3.41 -0.06 -4.82 113.62 112.65 3i2y n SER 151 Ca 0.06 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3i2y n SER 151 Cb 0.27 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3i2y n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i2y n GLY 152 N 0.10 2.00 3.24 5.00 0.00 -0.61 -5.10 105.19 109.81 3i2y n GLY 152 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3i2y n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i2y s VAL 153 N -2.00 2.09 -0.42 1.61 1.01 -1.18 -4.53 120.40 116.97 3i2y s VAL 153 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 3i2y s VAL 153 Cb 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3i2y s VAL 153 CO 0.00 0.56 1.45 -0.32 0.00 0.00 0.00 175.10 176.80 3i2y s MET 154 N 0.16 3.51 -0.29 2.72 1.75 -0.34 -4.07 119.30 122.74 3i2y s MET 154 Ca -0.13 0.92 -0.12 0.00 -1.25 0.00 0.00 55.69 55.11 3i2y s MET 154 Cb -0.16 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.41 3i2y s MET 154 CO 0.07 -1.65 0.23 0.08 -0.65 0.00 0.00 175.02 173.10 3i2y s VAL 155 N 5.69 5.28 -0.15 10.11 1.01 -1.26 -0.37 120.40 140.71 3i2y s VAL 155 Ca 0.62 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 3i2y s VAL 155 Cb -0.14 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3i2y s VAL 155 CO 0.32 0.18 -0.08 0.00 0.00 0.00 0.00 175.10 175.52 3i2y s ALA 156 N 1.81 2.79 0.06 5.51 0.00 -0.24 -0.73 121.76 130.97 3i2y s ALA 156 Ca 0.08 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3i2y s ALA 156 Cb -0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 3i2y s ALA 156 CO 0.11 0.14 -0.16 0.14 0.00 0.00 0.00 175.76 175.99 3i2y s VAL 157 N 0.51 1.23 0.31 0.00 -7.23 0.08 -0.87 120.40 114.43 3i2y s VAL 157 Ca -0.06 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.61 3i2y s VAL 157 Cb -0.15 -1.14 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 3i2y s VAL 157 CO 0.03 -0.08 1.27 0.00 -0.31 0.00 0.00 175.10 176.01 3i2y s ALA 158 N -1.06 3.49 0.30 1.32 0.00 -0.75 -0.76 121.76 124.30 3i2y s ALA 158 Ca 0.01 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.28 3i2y s ALA 158 Cb -0.09 -3.45 0.57 0.00 0.00 0.00 0.00 23.12 20.15 3i2y s ALA 158 CO 0.02 -0.54 1.72 0.00 0.00 0.00 0.00 175.76 176.97 3i2y h ALA 159 N 3.69 1.14 0.00 0.00 0.00 -1.28 -3.39 119.26 119.43 3i2y h ALA 159 Ca -0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3i2y h ALA 159 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i2y h ALA 159 CO 0.67 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.93 3i2y n GLY 160 N -0.05 2.79 2.11 0.00 0.00 -1.26 -4.72 105.19 104.06 3i2y n GLY 160 Ca -0.01 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 3i2y n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i2y n ASN 161 N 0.00 5.89 -0.87 1.61 3.02 -1.26 -1.12 115.26 122.53 3i2y n ASN 161 Ca 0.00 -3.77 0.10 0.00 -0.03 0.00 0.00 54.58 50.88 3i2y n ASN 161 Cb 0.00 -0.59 0.13 0.00 -0.61 0.00 0.00 39.78 38.71 3i2y n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i2y n ASN 162 N -0.80 2.89 -4.08 6.41 3.02 -0.99 -4.79 115.26 116.92 3i2y n ASN 162 Ca 0.51 -1.87 -0.29 0.00 -0.03 0.00 0.00 54.58 52.90 3i2y n ASN 162 Cb 0.86 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 3i2y n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3i2y n ASN 163 N 1.16 -0.76 -3.88 6.41 4.05 -0.17 -4.94 115.26 117.12 3i2y n ASN 163 Ca 0.14 -1.06 -0.13 0.00 0.45 0.00 0.00 54.58 53.98 3i2y n ASN 163 Cb 0.51 -2.73 -0.08 0.00 1.23 0.00 0.00 39.78 38.72 3i2y n ASN 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i2y s ALA 164 N -3.88 0.95 -0.03 5.20 0.00 -1.26 -4.94 121.76 117.81 3i2y s ALA 164 Ca 0.17 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 3i2y s ALA 164 Cb -0.10 1.31 -0.05 0.00 0.00 0.00 0.00 23.12 24.28 3i2y s ALA 164 CO 0.92 -0.68 1.48 0.34 0.00 0.00 0.00 175.76 177.81 3i2y s ASP 165 N -3.18 6.79 0.00 0.00 -1.08 -1.26 -1.50 116.67 116.44 3i2y s ASP 165 Ca 0.35 2.13 0.14 0.00 -0.52 0.00 0.00 52.55 54.64 3i2y s ASP 165 Cb 0.04 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.67 3i2y s ASP 165 CO 0.15 -0.80 1.37 0.00 0.52 0.00 0.00 175.17 176.41 3i2y n ALA 166 N 6.06 1.82 0.28 3.66 0.00 0.43 -3.13 120.51 129.64 3i2y n ALA 166 Ca 0.15 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.70 3i2y n ALA 166 Cb 0.43 -1.23 0.96 0.00 0.00 0.00 0.00 19.45 19.61 3i2y n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i2y h ARG 167 N 0.00 0.00 -0.62 0.00 0.11 -1.90 -2.08 114.38 109.89 3i2y h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i2y h ARG 167 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3i2y h ARG 167 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3i2y n ASN 168 N -3.56 3.74 -4.17 0.08 5.03 -1.18 -4.79 115.26 110.41 3i2y n ASN 168 Ca -0.01 -2.32 -0.16 0.00 0.87 0.00 0.00 54.58 52.96 3i2y n ASN 168 Cb 0.18 -0.50 -0.11 0.00 -1.02 0.00 0.00 39.78 38.33 3i2y n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3i2y s TYR 169 N -1.74 1.09 0.01 3.10 2.02 -0.78 -1.64 117.35 119.41 3i2y s TYR 169 Ca 0.40 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 3i2y s TYR 169 Cb 0.25 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 3i2y s TYR 169 CO 0.20 0.02 -0.10 -1.12 -1.57 0.00 0.00 175.55 172.98 3i2y s SER 170 N -2.15 1.18 0.00 2.29 0.01 -0.21 -1.07 113.70 113.76 3i2y s SER 170 Ca 0.02 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.04 3i2y s SER 170 Cb -0.06 -0.09 0.30 0.00 0.21 0.00 0.00 66.02 66.37 3i2y s SER 170 CO 0.01 0.05 1.18 -0.81 0.41 0.00 0.00 173.24 174.08 3i2y n PRO 171 N 2.42 0.99 -0.34 12.44 -0.04 -1.26 -1.38 135.00 147.82 3i2y n PRO 171 Ca -0.16 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.47 3i2y n PRO 171 Cb 0.56 -1.08 0.38 0.00 -0.04 0.00 0.00 33.50 33.32 3i2y n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2y h ALA 172 N 3.14 1.80 -0.00 0.55 0.00 -1.75 -1.42 119.26 121.58 3i2y h ALA 172 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i2y h ALA 172 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i2y h ALA 172 CO 0.00 -0.23 -0.03 -1.13 0.00 0.00 0.00 179.25 177.85 3i2y n SER 173 N -4.81 0.25 -4.66 0.00 3.41 -0.23 -4.78 113.62 102.79 3i2y n SER 173 Ca 0.25 -0.64 -0.43 0.00 -0.26 0.00 0.00 58.87 57.80 3i2y n SER 173 Cb 0.70 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3i2y n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i2y s GLU 174 N -2.32 4.14 0.43 4.33 2.56 -0.54 -4.91 118.70 122.40 3i2y s GLU 174 Ca 0.36 1.95 0.12 0.00 0.00 0.00 0.00 54.97 57.39 3i2y s GLU 174 Cb 0.21 -3.92 0.95 0.00 2.00 0.00 0.00 34.13 33.37 3i2y s GLU 174 CO 0.43 -0.86 1.99 -1.35 -0.56 0.00 0.00 175.26 174.91 3i2y h PRO 175 N 9.27 0.13 -0.00 4.30 0.11 -1.89 -3.19 132.00 140.73 3i2y h PRO 175 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i2y h PRO 175 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i2y h PRO 175 CO 0.97 0.24 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.71 3i2y n SER 176 N -4.35 0.24 -4.92 -2.05 3.41 -1.26 -4.82 113.62 99.87 3i2y n SER 176 Ca -0.01 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 3i2y n SER 176 Cb 0.21 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3i2y n SER 176 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3i2y s VAL 177 N -2.83 2.81 -0.46 -3.33 -7.23 -1.21 -4.96 120.40 103.19 3i2y s VAL 177 Ca 0.18 -1.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.94 3i2y s VAL 177 Cb 0.19 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 34.16 3i2y s VAL 177 CO 0.55 -0.01 0.56 0.00 -0.31 0.00 0.00 175.10 175.89 3i2y s THR 179 N 2.46 5.19 -0.22 0.00 2.01 -1.26 -0.74 115.64 123.08 3i2y s THR 179 Ca 0.15 0.70 -0.03 0.00 0.31 0.00 0.00 61.69 62.83 3i2y s THR 179 Cb -0.18 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.61 3i2y s THR 179 CO 0.14 0.24 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 3i2y s VAL 180 N 1.41 3.05 0.65 3.82 1.01 0.06 -1.05 120.40 129.36 3i2y s VAL 180 Ca 0.19 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3i2y s VAL 180 Cb -0.15 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.88 3i2y s VAL 180 CO 0.08 0.38 0.93 -0.83 0.00 0.00 0.00 175.10 175.66 3i2y s GLY 181 N 1.41 1.76 -0.01 4.51 0.00 0.02 -0.86 107.32 114.15 3i2y s GLY 181 Ca 0.04 -1.24 0.05 0.00 0.00 0.00 0.00 44.72 43.58 3i2y s GLY 181 CO -0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 173.10 172.05 3i2y s ALA 182 N -3.06 2.62 0.31 3.20 0.00 -1.26 -1.00 121.76 122.57 3i2y s ALA 182 Ca 0.61 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.57 3i2y s ALA 182 Cb -0.09 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 3i2y s ALA 182 CO 0.42 0.56 -0.08 -1.54 0.00 0.00 0.00 175.76 175.13 3i2y s SER 183 N -1.05 3.21 0.52 0.00 1.04 -0.28 -0.66 113.70 116.50 3i2y s SER 183 Ca 0.13 -1.18 0.07 0.00 0.48 0.00 0.00 55.95 55.44 3i2y s SER 183 Cb -0.11 -0.25 0.03 0.00 0.10 0.00 0.00 66.02 65.80 3i2y s SER 183 CO 0.03 -0.26 0.46 1.51 0.98 0.00 0.00 173.24 175.96 3i2y s ASP 184 N -3.52 4.78 0.12 7.02 1.47 0.03 -0.70 116.67 125.87 3i2y s ASP 184 Ca 0.31 -1.08 0.17 0.00 1.18 0.00 0.00 52.55 53.12 3i2y s ASP 184 Cb 0.03 0.20 0.72 0.00 -0.34 0.00 0.00 42.92 43.53 3i2y s ASP 184 CO 0.14 -1.05 1.51 -1.14 0.68 0.00 0.00 175.17 175.31 3i2y n ARG 185 N -1.79 0.08 -0.64 2.11 0.63 -1.26 -1.05 116.66 114.74 3i2y n ARG 185 Ca 0.02 0.38 0.08 0.00 -0.92 0.00 0.00 57.85 57.41 3i2y n ARG 185 Cb 0.63 -1.67 0.33 0.00 0.45 0.00 0.00 32.46 32.20 3i2y n ARG 185 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i2y n TYR 186 N -1.83 1.48 -2.33 -0.14 4.01 -1.26 -4.41 117.16 112.68 3i2y n TYR 186 Ca 0.02 -0.72 -0.19 0.00 -0.16 0.00 0.00 57.90 56.86 3i2y n TYR 186 Cb 0.16 -0.34 -0.01 0.00 -0.31 0.00 0.00 39.34 38.84 3i2y n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3i2y n ASP 187 N 0.46 -5.42 -4.86 7.72 8.00 -0.21 -4.89 116.55 117.35 3i2y n ASP 187 Ca 0.24 -0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.39 3i2y n ASP 187 Cb 0.97 -4.48 -0.06 0.00 -0.02 0.00 0.00 41.12 37.53 3i2y n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i2y s ARG 188 N -4.89 3.81 0.17 -1.24 0.52 -1.26 -0.53 118.95 115.53 3i2y s ARG 188 Ca 0.00 0.25 -0.34 0.00 -0.52 0.00 0.00 55.73 55.12 3i2y s ARG 188 Cb 0.00 -3.02 -0.14 0.00 0.52 0.00 0.00 34.95 32.31 3i2y s ARG 188 CO 0.00 0.57 1.51 -2.13 0.02 0.00 0.00 175.30 175.27 3i2y n ARG 189 N 1.03 1.99 -1.72 3.54 0.63 -0.31 -0.79 116.66 121.03 3i2y n ARG 189 Ca -0.09 0.72 -0.41 0.00 -0.92 0.00 0.00 57.85 57.15 3i2y n ARG 189 Cb 0.52 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.99 3i2y n ARG 189 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i2y n SER 190 N 3.06 2.96 0.27 6.15 7.64 0.17 -4.75 113.62 129.12 3i2y n SER 190 Ca 0.16 1.17 0.12 0.00 1.01 0.00 0.00 58.87 61.32 3i2y n SER 190 Cb 0.28 -1.53 0.74 0.00 -1.01 0.00 0.00 64.21 62.69 3i2y n SER 190 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3i2y h SER 191 N 2.43 0.00 0.30 6.43 4.64 -1.90 -0.71 113.55 124.75 3i2y h SER 191 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3i2y h SER 191 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3i2y h SER 191 CO 0.62 0.09 -0.52 2.22 -0.87 0.00 0.00 176.83 178.37 3i2y n PHE 192 N -3.90 0.00 -2.14 4.77 1.16 -1.26 -4.64 117.46 111.46 3i2y n PHE 192 Ca -0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.14 3i2y n PHE 192 Cb 0.18 -0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 37.87 3i2y n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3i2y s SER 193 N -2.82 6.80 1.03 5.98 0.15 -0.27 -1.00 113.70 123.55 3i2y s SER 193 Ca 0.15 2.42 -0.12 0.00 0.70 0.00 0.00 55.95 59.10 3i2y s SER 193 Cb 0.18 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 62.10 3i2y s SER 193 CO 0.67 -0.64 1.07 0.20 1.20 0.00 0.00 173.24 175.74 3i2y s ASN 194 N 0.82 2.20 0.00 5.45 0.02 -0.27 -4.05 114.94 119.11 3i2y s ASN 194 Ca 0.62 1.53 0.00 0.00 -1.02 0.00 0.00 52.86 53.99 3i2y s ASN 194 Cb -0.38 -2.21 0.00 0.00 0.02 0.00 0.00 41.25 38.68 3i2y s ASN 194 CO 0.34 -3.44 0.00 0.00 0.02 0.00 0.00 177.10 174.02 3i2y n TYR 195 N -4.41 -0.45 0.00 2.20 4.11 -0.56 -4.75 117.16 113.30 3i2y n TYR 195 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 3i2y n TYR 195 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 3i2y n TYR 195 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3i2y n GLY 196 N 0.00 1.85 0.30 -7.48 0.00 -1.26 -0.43 105.19 98.18 3i2y n GLY 196 Ca 0.00 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.96 3i2y n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i2y h SER 197 N 0.00 0.02 1.05 1.61 4.64 -1.97 -2.47 113.55 116.44 3i2y h SER 197 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i2y h SER 197 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i2y h SER 197 CO 0.00 0.01 0.00 0.55 -0.87 0.00 0.00 176.83 176.52 3i2y n VAL 198 N -4.48 0.73 -2.13 0.95 3.14 -1.26 -4.77 118.33 110.50 3i2y n VAL 198 Ca 0.02 0.01 -0.40 0.00 -2.96 0.00 0.00 64.34 61.01 3i2y n VAL 198 Cb 0.26 -0.92 -0.02 0.00 -1.06 0.00 0.00 33.84 32.11 3i2y n VAL 198 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i2y s LEU 199 N -4.53 4.34 -0.07 6.55 1.02 -0.93 -4.53 118.68 120.52 3i2y s LEU 199 Ca 0.07 2.63 0.11 0.00 0.02 0.00 0.00 54.13 56.95 3i2y s LEU 199 Cb 0.11 -3.77 -0.16 0.00 0.02 0.00 0.00 46.19 42.38 3i2y s LEU 199 CO 0.48 -0.64 0.14 0.47 0.02 0.00 0.00 176.35 176.82 3i2y n ASP 200 N 0.52 2.23 -3.54 2.29 8.00 -0.21 -4.65 116.55 121.18 3i2y n ASP 200 Ca 0.02 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 3i2y n ASP 200 Cb 0.43 1.12 -0.04 0.00 -0.02 0.00 0.00 41.12 42.61 3i2y n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3i2y s ILE 201 N -2.52 0.00 0.10 0.53 1.10 -1.12 -4.77 121.20 114.52 3i2y s ILE 201 Ca -0.05 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.16 3i2y s ILE 201 Cb 0.05 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.62 3i2y s ILE 201 CO 0.48 0.00 -0.11 -0.36 -2.11 0.00 0.00 174.94 172.84 3i2y s PHE 202 N -2.14 2.72 0.14 3.50 0.40 -0.19 -0.80 117.98 121.60 3i2y s PHE 202 Ca 0.01 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3i2y s PHE 202 Cb -0.01 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3i2y s PHE 202 CO -0.03 0.41 0.06 0.20 0.70 0.00 0.00 175.22 176.56 3i2y s GLY 203 N -2.14 1.02 0.05 4.36 0.00 -0.17 -1.08 107.32 109.37 3i2y s GLY 203 Ca 0.21 -1.49 -0.34 0.00 0.00 0.00 0.00 44.72 43.10 3i2y s GLY 203 CO 0.13 -1.37 1.73 -1.05 0.00 0.00 0.00 173.10 172.54 3i2y n PRO 204 N -0.11 2.24 0.00 2.90 -0.02 -1.26 -1.12 135.00 137.63 3i2y n PRO 204 Ca -0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3i2y n PRO 204 Cb 0.64 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3i2y n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i2y n GLY 205 N 3.92 0.98 3.56 -1.23 0.00 0.12 -2.79 105.19 109.74 3i2y n GLY 205 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3i2y n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i2y s THR 206 N -0.14 4.61 -0.99 2.61 2.01 -1.02 -0.30 115.64 122.42 3i2y s THR 206 Ca 0.00 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 3i2y s THR 206 Cb 0.00 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 3i2y s THR 206 CO 0.00 0.41 0.88 -1.20 -0.69 0.00 0.00 174.62 174.01 3i2y n SER 207 N 4.11 -6.73 -4.46 3.53 7.64 -1.23 -4.66 113.62 111.82 3i2y n SER 207 Ca -0.16 -0.61 -0.39 0.00 1.01 0.00 0.00 58.87 58.71 3i2y n SER 207 Cb 0.52 -5.16 -0.11 0.00 -1.01 0.00 0.00 64.21 58.45 3i2y n SER 207 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i2y s ILE 208 N -3.33 4.84 -0.01 0.44 -1.09 -0.32 -4.87 121.20 116.86 3i2y s ILE 208 Ca 0.39 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 3i2y s ILE 208 Cb -0.05 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3i2y s ILE 208 CO 0.73 0.01 0.97 -0.22 -1.23 0.00 0.00 174.94 175.20 3i2y s LEU 209 N 1.65 4.36 0.00 2.97 2.96 -1.26 -2.14 118.68 127.22 3i2y s LEU 209 Ca 0.05 1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 55.53 3i2y s LEU 209 Cb -0.17 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.99 3i2y s LEU 209 CO 0.08 -0.26 0.43 -0.24 -1.32 0.00 0.00 176.35 175.04 3i2y n SER 210 N 3.95 -1.25 -4.74 3.68 2.88 -0.48 -4.88 113.62 112.77 3i2y n SER 210 Ca 0.06 -2.00 -0.34 0.00 -1.33 0.00 0.00 58.87 55.25 3i2y n SER 210 Cb 0.51 2.13 0.08 0.00 -0.75 0.00 0.00 64.21 66.17 3i2y n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i2y s THR 211 N -2.51 2.51 0.17 2.46 -4.23 -1.26 -1.21 115.64 111.56 3i2y s THR 211 Ca 0.11 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 3i2y s THR 211 Cb -0.02 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3i2y s THR 211 CO 0.08 -0.12 0.14 0.86 -0.54 0.00 0.00 174.62 175.04 3i2y s TRP 212 N -1.97 0.89 0.85 3.99 -0.11 -0.14 -2.93 118.94 119.52 3i2y s TRP 212 Ca 0.74 -1.20 -0.11 0.00 1.22 0.00 0.00 56.10 56.75 3i2y s TRP 212 Cb -0.28 -0.42 0.10 0.00 -1.50 0.00 0.00 33.47 31.37 3i2y s TRP 212 CO 0.42 -0.62 1.10 0.96 -4.62 0.00 0.00 176.95 174.19 3i2y s ILE 213 N -4.08 2.88 -0.96 5.86 -4.36 -1.26 -2.22 121.20 117.06 3i2y s ILE 213 Ca 0.29 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 3i2y s ILE 213 Cb 0.06 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 41.08 3i2y s ILE 213 CO 0.06 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.48 3i2y n GLY 214 N -0.93 0.57 2.36 6.27 0.00 -1.26 -3.41 105.19 108.79 3i2y n GLY 214 Ca 0.08 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 3i2y n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2y n GLY 215 N -1.40 -0.25 0.12 -0.02 0.00 -1.22 -4.99 105.19 97.43 3i2y n GLY 215 Ca -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 3i2y n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i2y n SER 216 N -1.01 1.17 -4.04 1.61 3.41 -0.94 -4.96 113.62 108.86 3i2y n SER 216 Ca -0.16 -1.06 -0.07 0.00 -0.26 0.00 0.00 58.87 57.31 3i2y n SER 216 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 3i2y n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i2y s THR 217 N -0.20 0.20 -0.22 6.66 -4.23 -1.26 -0.97 115.64 115.62 3i2y s THR 217 Ca 0.01 -1.67 -0.26 0.00 -1.18 0.00 0.00 61.69 58.59 3i2y s THR 217 Cb -0.00 -1.49 0.07 0.00 1.34 0.00 0.00 72.50 72.42 3i2y s THR 217 CO 0.01 -0.91 0.71 -0.60 -0.54 0.00 0.00 174.62 173.29 3i2y s ARG 218 N -3.91 0.89 -0.23 3.99 6.06 -0.35 -4.81 118.95 120.60 3i2y s ARG 218 Ca 0.07 0.82 -0.09 0.00 -2.50 0.00 0.00 55.73 54.03 3i2y s ARG 218 Cb 0.07 0.43 -0.04 0.00 0.06 0.00 0.00 34.95 35.47 3i2y s ARG 218 CO -0.10 -0.16 0.12 0.45 -2.50 0.00 0.00 175.30 173.11 3i2y s SER 219 N 0.00 5.73 0.26 -2.12 0.15 -1.26 -1.38 113.70 115.07 3i2y s SER 219 Ca -0.03 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.64 3i2y s SER 219 Cb -0.04 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 3i2y s SER 219 CO 0.03 0.05 0.14 0.27 1.20 0.00 0.00 173.24 174.93 3i2y s ILE 220 N 1.11 0.28 0.06 6.45 -4.36 -0.91 -4.84 121.20 118.98 3i2y s ILE 220 Ca 0.06 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 3i2y s ILE 220 Cb -0.14 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 3i2y s ILE 220 CO 0.04 0.00 -0.18 -0.44 0.24 0.00 0.00 174.94 174.60 3i2y s SER 221 N -3.28 2.15 0.00 4.36 0.01 -1.26 -1.17 113.70 114.51 3i2y s SER 221 Ca 0.38 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3i2y s SER 221 Cb 0.06 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3i2y s SER 221 CO 0.15 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3i2y n GLY 222 N 1.59 2.72 0.29 3.44 0.00 0.59 -4.88 105.19 108.94 3i2y n GLY 222 Ca -0.19 -0.95 0.19 0.00 0.00 0.00 0.00 46.02 45.08 3i2y n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i2y h THR 223 N 0.97 0.00 -0.02 2.61 1.35 -1.85 -0.82 112.91 115.15 3i2y h THR 223 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3i2y h THR 223 Cb 0.00 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3i2y h THR 223 CO 0.00 0.00 0.02 0.28 -0.25 0.00 0.00 175.52 175.57 3i2y h SER 224 N 0.00 0.00 0.48 5.36 0.02 -1.90 -1.82 113.55 115.69 3i2y h SER 224 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 3i2y h SER 224 Cb 0.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 3i2y h SER 224 CO 0.00 0.00 -1.70 0.24 -1.14 0.00 0.00 176.83 174.23 3i2y h MET 225 N 0.00 0.03 -0.31 3.45 2.86 -1.45 -3.37 114.93 116.14 3i2y h MET 225 Ca 0.01 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 3i2y h MET 225 Cb 0.04 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 3i2y h MET 225 CO -0.00 0.60 -0.41 0.00 1.06 0.00 0.00 176.91 178.16 3i2y h ALA 226 N 0.90 0.47 -0.16 6.32 0.00 -1.32 -3.31 119.26 122.15 3i2y h ALA 226 Ca -0.28 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.22 3i2y h ALA 226 Cb 2.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 3i2y h ALA 226 CO 0.08 0.58 -0.20 1.15 0.00 0.00 0.00 179.25 180.87 3i2y h THR 227 N 0.60 0.49 0.00 0.00 2.02 -1.49 -1.77 112.91 112.76 3i2y h THR 227 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3i2y h THR 227 Cb 1.01 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3i2y h THR 227 CO 0.10 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 177.47 3i2y h PRO 228 N -0.23 0.00 -0.48 6.66 0.13 -1.72 -0.18 132.00 136.17 3i2y h PRO 228 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 3i2y h PRO 228 Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3i2y h PRO 228 CO -0.30 0.06 0.22 0.45 -0.23 0.00 0.00 178.00 178.21 3i2y h HIS 229 N 0.00 0.70 -0.38 1.56 3.86 -1.42 -0.08 115.15 119.39 3i2y h HIS 229 Ca -0.00 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 3i2y h HIS 229 Cb 0.30 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3i2y h HIS 229 CO 0.00 0.57 -0.31 0.28 0.86 0.00 0.00 177.93 179.33 3i2y h VAL 230 N 0.63 1.28 -0.26 2.45 2.07 -1.04 -0.50 116.25 120.88 3i2y h VAL 230 Ca 0.16 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3i2y h VAL 230 Cb 0.14 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3i2y h VAL 230 CO -0.02 0.49 0.14 0.00 0.02 0.00 0.00 177.57 178.21 3i2y h ALA 231 N 0.78 0.33 -0.78 1.67 0.00 -1.00 -0.18 119.26 120.08 3i2y h ALA 231 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i2y h ALA 231 Cb 0.89 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3i2y h ALA 231 CO 0.08 -0.13 0.40 0.78 0.00 0.00 0.00 179.25 180.38 3i2y h GLY 232 N 0.31 1.20 1.00 0.00 0.00 -0.98 -1.79 103.07 102.80 3i2y h GLY 232 Ca 0.09 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.85 3i2y h GLY 232 CO -0.01 0.55 0.31 -2.00 0.00 0.00 0.00 176.54 175.38 3i2y h LEU 233 N 1.10 0.53 -0.38 3.11 5.85 -0.76 -0.73 115.31 124.02 3i2y h LEU 233 Ca 0.27 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3i2y h LEU 233 Cb 0.08 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3i2y h LEU 233 CO -0.04 0.38 0.16 0.00 -0.34 0.00 0.00 178.44 178.60 3i2y h ALA 234 N 1.17 0.46 -0.41 1.25 0.00 -0.71 0.36 119.26 121.38 3i2y h ALA 234 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3i2y h ALA 234 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i2y h ALA 234 CO -0.04 -0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.26 3i2y h ALA 235 N 1.22 0.52 -0.45 0.00 0.00 -1.00 0.45 119.26 120.00 3i2y h ALA 235 Ca 0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3i2y h ALA 235 Cb 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3i2y h ALA 235 CO -0.15 -0.04 0.20 -0.92 0.00 0.00 0.00 179.25 178.34 3i2y h TYR 236 N 0.54 0.36 -0.18 0.00 3.20 -0.75 -1.10 116.97 119.04 3i2y h TYR 236 Ca 0.15 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 3i2y h TYR 236 Cb -0.05 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3i2y h TYR 236 CO -0.05 0.16 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.13 3i2y h LEU 237 N 0.40 0.46 -0.51 2.82 3.38 -0.55 -2.38 115.31 118.93 3i2y h LEU 237 Ca 0.20 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3i2y h LEU 237 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3i2y h LEU 237 CO -0.17 0.83 0.01 0.24 0.09 0.00 0.00 178.44 179.44 3i2y h MET 238 N 0.35 0.89 -0.72 1.13 2.86 -0.63 -1.44 114.93 117.39 3i2y h MET 238 Ca 0.03 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3i2y h MET 238 Cb 0.90 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 3i2y h MET 238 CO 0.08 0.92 0.47 1.79 1.06 0.00 0.00 176.91 181.23 3i2y h THR 239 N 0.76 1.18 0.00 2.22 1.35 -1.05 -0.72 112.91 116.66 3i2y h THR 239 Ca 0.14 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3i2y h THR 239 Cb 0.51 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3i2y h THR 239 CO 0.02 0.18 0.00 0.18 -0.25 0.00 0.00 175.52 175.65 3i2y n LEU 240 N -4.43 0.26 -0.10 3.87 4.77 -0.91 -4.89 117.00 115.57 3i2y n LEU 240 Ca 0.08 0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 3i2y n LEU 240 Cb 0.03 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 3i2y n LEU 240 CO 0.36 -0.32 -0.01 0.61 -1.33 0.00 0.00 177.39 176.70 3i2y n GLY 241 N 0.22 0.51 0.19 -0.72 0.00 -0.28 -4.93 105.19 100.18 3i2y n GLY 241 Ca 0.04 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.52 3i2y n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i2y h LYS 242 N 0.32 0.00 -3.19 1.61 1.79 -1.50 -3.48 116.57 112.12 3i2y h LYS 242 Ca -0.03 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 3i2y h LYS 242 Cb 0.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3i2y h LYS 242 CO 0.04 0.08 0.20 -0.08 -1.08 0.00 0.00 179.45 178.61 3i2y s THR 243 N -3.19 0.00 0.29 -0.16 -1.32 -1.24 -5.03 115.64 104.99 3i2y s THR 243 Ca 0.05 -1.10 0.02 0.00 -1.21 0.00 0.00 61.69 59.45 3i2y s THR 243 Cb 0.06 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 68.07 3i2y s THR 243 CO 0.71 0.00 0.12 0.42 -2.21 0.00 0.00 174.62 173.66 3i2y s THR 244 N -2.24 0.53 0.26 5.08 -4.23 -1.26 -4.45 115.64 109.32 3i2y s THR 244 Ca 0.18 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3i2y s THR 244 Cb -0.04 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.46 3i2y s THR 244 CO 0.14 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.07 3i2y h ALA 245 N 2.26 1.30 0.00 3.99 0.00 -1.88 0.76 119.26 125.69 3i2y h ALA 245 Ca -0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3i2y h ALA 245 Cb 1.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i2y h ALA 245 CO 0.58 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 180.06 3i2y h ALA 246 N 1.44 0.99 -0.00 0.00 0.00 -1.90 -3.31 119.26 116.48 3i2y h ALA 246 Ca 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i2y h ALA 246 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i2y h ALA 246 CO -0.19 0.11 -0.05 -1.13 0.00 0.00 0.00 179.25 178.00 3i2y n SER 247 N -3.19 0.86 -0.27 0.00 3.41 -0.80 -4.79 113.62 108.84 3i2y n SER 247 Ca 0.01 -0.93 -0.07 0.00 -0.26 0.00 0.00 58.87 57.63 3i2y n SER 247 Cb 0.40 0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.76 3i2y n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i2y h ALA 248 N 0.53 0.98 -0.28 7.33 0.00 -0.96 0.44 119.26 127.30 3i2y h ALA 248 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3i2y h ALA 248 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i2y h ALA 248 CO 0.00 0.67 0.14 0.00 0.00 0.00 0.00 179.25 180.06 3i2y h ARG 250 N 0.33 0.63 -0.47 0.00 2.43 -1.82 -0.83 114.38 114.65 3i2y h ARG 250 Ca 0.10 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3i2y h ARG 250 Cb 0.10 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3i2y h ARG 250 CO -0.01 0.42 0.18 -0.92 -1.51 0.00 0.00 179.97 178.12 3i2y h TYR 251 N 0.65 0.72 -0.54 2.20 3.20 -0.60 0.19 116.97 122.79 3i2y h TYR 251 Ca 0.20 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3i2y h TYR 251 Cb -0.02 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 3i2y h TYR 251 CO -0.05 0.62 0.32 0.82 -1.64 0.00 0.00 178.16 178.23 3i2y h ILE 252 N 0.62 1.16 -0.57 1.81 2.04 -0.66 -1.09 117.51 120.82 3i2y h ILE 252 Ca 0.16 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3i2y h ILE 252 Cb 0.21 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3i2y h ILE 252 CO -0.01 0.17 0.30 0.00 0.00 0.00 0.00 178.15 178.61 3i2y h ALA 253 N 1.16 0.74 -0.65 1.87 0.00 -0.82 -1.17 119.26 120.38 3i2y h ALA 253 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i2y h ALA 253 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3i2y h ALA 253 CO -0.04 0.28 0.43 -0.44 0.00 0.00 0.00 179.25 179.48 3i2y h ASP 254 N 0.77 0.70 -0.30 0.00 3.32 -0.19 -2.94 116.42 117.78 3i2y h ASP 254 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3i2y h ASP 254 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3i2y h ASP 254 CO -0.03 0.49 0.00 0.35 -1.72 0.00 0.00 179.24 178.33 3i2y n THR 255 N -4.45 0.46 -1.34 0.35 -2.24 -0.45 -5.00 114.28 101.60 3i2y n THR 255 Ca 0.08 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.81 3i2y n THR 255 Cb 0.10 1.00 0.09 0.00 -2.10 0.00 0.00 70.33 69.41 3i2y n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i2y s ALA 256 N -1.36 2.18 0.09 6.98 0.00 -0.46 -4.64 121.76 124.54 3i2y s ALA 256 Ca 0.32 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 3i2y s ALA 256 Cb 0.19 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 3i2y s ALA 256 CO 0.26 -1.79 1.50 -0.80 0.00 0.00 0.00 175.76 174.93 3i2y s ASN 257 N -2.86 6.72 -0.12 0.00 0.02 -0.33 -4.83 114.94 113.54 3i2y s ASN 257 Ca 0.65 2.38 -0.01 0.00 -1.02 0.00 0.00 52.86 54.86 3i2y s ASN 257 Cb -0.21 -2.58 -0.02 0.00 0.02 0.00 0.00 41.25 38.47 3i2y s ASN 257 CO 0.51 -0.76 -0.09 -0.54 0.02 0.00 0.00 177.10 176.23 3i2y s LYS 258 N 1.82 3.34 -0.30 -0.60 1.02 -1.26 -0.93 119.74 122.82 3i2y s LYS 258 Ca 0.68 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.05 3i2y s LYS 258 Cb -0.38 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 3i2y s LYS 258 CO 0.30 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 3i2y n GLY 259 N 3.28 0.60 0.00 -3.33 0.00 -0.15 -4.91 105.19 100.68 3i2y n GLY 259 Ca -0.18 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.42 3i2y n GLY 259 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i2y n ASP 260 N 0.68 0.85 -4.86 1.61 8.00 -1.26 -4.95 116.55 116.62 3i2y n ASP 260 Ca -0.03 -0.81 -0.34 0.00 0.71 0.00 0.00 54.79 54.32 3i2y n ASP 260 Cb 0.14 1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 42.23 3i2y n ASP 260 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i2y s LEU 261 N -3.20 4.25 0.25 0.64 1.43 -1.26 -4.89 118.68 115.90 3i2y s LEU 261 Ca 0.06 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 54.25 3i2y s LEU 261 Cb 0.16 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 3i2y s LEU 261 CO 0.86 0.01 0.26 -0.94 0.23 0.00 0.00 176.35 176.77 3i2y s SER 262 N -2.02 5.78 -1.44 2.29 1.04 0.31 -4.54 113.70 115.12 3i2y s SER 262 Ca 0.43 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.64 3i2y s SER 262 Cb -0.13 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.49 3i2y s SER 262 CO 0.20 -0.07 0.56 -3.20 0.98 0.00 0.00 173.24 171.71 3i2y n ASN 263 N -1.27 -5.13 -4.61 7.02 5.15 -1.26 -1.17 115.26 113.98 3i2y n ASN 263 Ca -0.08 -0.33 -0.42 0.00 -0.60 0.00 0.00 54.58 53.16 3i2y n ASN 263 Cb 0.58 -4.18 -0.05 0.00 -0.53 0.00 0.00 39.78 35.60 3i2y n ASN 263 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i2y s ILE 264 N -3.08 4.84 0.50 -1.44 -1.09 -1.26 -4.69 121.20 114.98 3i2y s ILE 264 Ca 0.34 1.15 -0.23 0.00 -2.23 0.00 0.00 60.65 59.68 3i2y s ILE 264 Cb -0.17 -4.10 -0.06 0.00 -1.58 0.00 0.00 42.46 36.55 3i2y s ILE 264 CO 0.42 -0.20 1.37 -2.84 -1.23 0.00 0.00 174.94 172.47 3i2y s PRO 265 N 2.85 3.41 -0.05 2.79 0.02 -1.26 -4.89 135.00 137.87 3i2y s PRO 265 Ca 0.31 2.27 -0.38 0.00 0.02 0.00 0.00 61.00 63.22 3i2y s PRO 265 Cb -0.14 -2.43 -0.17 0.00 0.02 0.00 0.00 34.50 31.78 3i2y s PRO 265 CO 0.12 -0.99 1.47 0.34 -0.33 0.00 0.00 177.00 177.61 3i2y n PHE 266 N -0.64 1.66 -0.00 6.54 7.35 -1.26 -1.65 117.46 129.45 3i2y n PHE 266 Ca 0.08 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.40 3i2y n PHE 266 Cb 0.44 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.91 3i2y n PHE 266 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i2y n GLY 267 N 3.07 0.22 3.76 7.13 0.00 -1.26 -5.02 105.19 113.10 3i2y n GLY 267 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3i2y n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i2y s THR 268 N -2.02 4.79 0.39 2.61 2.01 -0.66 -4.00 115.64 118.76 3i2y s THR 268 Ca 0.00 -0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 3i2y s THR 268 Cb 0.00 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 3i2y s THR 268 CO 0.00 0.61 1.47 1.33 -0.69 0.00 0.00 174.62 177.34 3i2y n VAL 269 N 2.06 2.18 -3.42 3.82 0.24 -1.26 -4.84 118.33 117.11 3i2y n VAL 269 Ca -0.19 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.23 3i2y n VAL 269 Cb 0.54 -1.93 -0.04 0.00 -1.47 0.00 0.00 33.84 30.94 3i2y n VAL 269 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3i2y n ASN 270 N 0.31 4.85 -3.81 -1.34 4.05 -1.26 -4.92 115.26 113.14 3i2y n ASN 270 Ca 0.02 -3.23 -0.19 0.00 0.45 0.00 0.00 54.58 51.64 3i2y n ASN 270 Cb 0.39 -1.10 -0.17 0.00 1.23 0.00 0.00 39.78 40.14 3i2y n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3i2y s LEU 271 N -1.85 0.99 -0.15 1.20 1.43 -1.26 -0.98 118.68 118.06 3i2y s LEU 271 Ca 0.31 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3i2y s LEU 271 Cb -0.02 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.91 3i2y s LEU 271 CO -0.05 -0.12 -0.19 -0.22 0.23 0.00 0.00 176.35 176.00 3i2y s LEU 272 N 1.29 2.27 0.18 1.79 2.96 -0.11 -1.02 118.68 126.04 3i2y s LEU 272 Ca -0.06 -0.56 -0.33 0.00 -0.22 0.00 0.00 54.13 52.97 3i2y s LEU 272 Cb -0.13 -1.50 -0.15 0.00 0.50 0.00 0.00 46.19 44.90 3i2y s LEU 272 CO -0.02 0.07 1.24 0.00 -1.32 0.00 0.00 176.35 176.32 3i2y n ALA 273 N 4.17 -0.28 -3.68 5.97 0.00 -0.24 -1.18 120.51 125.26 3i2y n ALA 273 Ca -0.20 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 3i2y n ALA 273 Cb 0.51 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.76 3i2y n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i2y s TYR 274 N -0.09 -0.57 -1.18 0.00 5.04 -1.26 -4.49 117.35 114.81 3i2y s TYR 274 Ca 0.73 1.23 0.29 0.00 -2.44 0.00 0.00 57.07 56.88 3i2y s TYR 274 Cb -0.80 0.24 1.25 0.00 0.35 0.00 0.00 41.96 43.00 3i2y s TYR 274 CO 0.51 -0.33 1.91 0.27 -1.34 0.00 0.00 175.55 176.58 3i2y n ASN 275 N 4.21 0.09 -3.15 4.32 2.04 0.67 -4.68 115.26 118.75 3i2y n ASN 275 Ca -0.23 0.16 -0.20 0.00 -0.44 0.00 0.00 54.58 53.86 3i2y n ASN 275 Cb 0.55 -0.33 -0.00 0.00 -2.53 0.00 0.00 39.78 37.46 3i2y n ASN 275 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3i2y n ASN 276 N -1.39 -3.72 -4.70 0.53 3.02 -1.26 -4.91 115.26 102.83 3i2y n ASN 276 Ca 0.10 -0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 3i2y n ASN 276 Cb 0.31 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 3i2y n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i2y s TYR 277 N -2.85 3.54 -0.35 3.10 5.04 -1.26 -5.02 117.35 119.56 3i2y s TYR 277 Ca 0.31 1.39 -0.07 0.00 -2.44 0.00 0.00 57.07 56.26 3i2y s TYR 277 Cb -0.16 -2.97 0.04 0.00 0.35 0.00 0.00 41.96 39.22 3i2y s TYR 277 CO 0.38 -0.06 0.12 -0.65 -1.34 0.00 0.00 175.55 174.00 3i2y s GLN 278 N 1.36 2.61 0.00 4.97 1.11 -1.26 -5.00 119.66 123.46 3i2y s GLN 278 Ca 0.42 -1.21 0.00 0.00 0.01 0.00 0.00 55.36 54.58 3i2y s GLN 278 Cb -0.18 -3.50 0.00 0.00 -1.01 0.00 0.00 33.01 28.32 3i2y s GLN 278 CO 0.19 -0.69 0.41 0.00 0.01 0.00 0.00 175.29 175.20