#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1t s LYS 3 N 0.00 3.36 1.06 -1.46 1.02 -1.26 -5.02 119.74 117.44 2x1t s LYS 3 Ca 0.00 1.70 -0.14 0.00 0.02 0.00 0.00 55.97 57.55 2x1t s LYS 3 Cb 0.00 -2.08 0.22 0.00 -0.52 0.00 0.00 37.83 35.45 2x1t s LYS 3 CO 0.00 -0.86 1.10 -1.25 -0.92 0.00 0.00 175.35 173.42 2x1t s PRO 4 N -3.16 -0.04 0.05 -1.68 0.04 -1.26 -4.90 135.00 124.04 2x1t s PRO 4 Ca 0.72 0.36 -0.34 0.00 0.04 0.00 0.00 61.00 61.78 2x1t s PRO 4 Cb -0.26 -1.70 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 2x1t s PRO 4 CO 0.30 -3.01 1.70 0.94 0.04 0.00 0.00 177.00 176.96 2x1t n GLN 5 N -4.35 2.12 -1.42 4.56 7.27 -1.26 -4.95 117.38 119.36 2x1t n GLN 5 Ca 0.07 0.77 -0.31 0.00 0.07 0.00 0.00 57.00 57.60 2x1t n GLN 5 Cb 0.58 -2.57 0.07 0.00 2.41 0.00 0.00 30.24 30.73 2x1t n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1t s PRO 6 N 2.21 2.56 -0.05 3.69 0.04 -1.26 -4.90 135.00 137.29 2x1t s PRO 6 Ca 0.85 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.95 2x1t s PRO 6 Cb -0.70 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2x1t s PRO 6 CO 0.44 -1.39 -0.12 0.42 0.04 0.00 0.00 177.00 176.39 2x1t s ILE 7 N -2.98 1.08 -0.27 0.56 1.01 -0.77 -1.61 121.20 118.22 2x1t s ILE 7 Ca 0.60 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2x1t s ILE 7 Cb -0.16 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.39 2x1t s ILE 7 CO 0.55 0.33 -0.05 0.00 0.00 0.00 0.00 174.94 175.78 2x1t s ALA 8 N 0.44 2.71 -0.08 9.38 0.00 -0.24 -1.44 121.76 132.53 2x1t s ALA 8 Ca -0.10 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.24 2x1t s ALA 8 Cb -0.13 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 2x1t s ALA 8 CO 0.02 -1.10 -0.23 0.00 0.00 0.00 0.00 175.76 174.45 2x1t s ALA 9 N 1.24 2.23 -0.20 0.00 0.00 0.06 -0.89 121.76 124.20 2x1t s ALA 9 Ca -0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 2x1t s ALA 9 Cb -0.19 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2x1t s ALA 9 CO -0.03 0.36 0.00 0.00 0.00 0.00 0.00 175.76 176.10 2x1t s ALA 10 N 0.03 3.05 -0.32 0.00 0.00 0.58 -0.39 121.76 124.72 2x1t s ALA 10 Ca -0.09 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.80 2x1t s ALA 10 Cb -0.15 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 2x1t s ALA 10 CO 0.06 -0.13 0.15 1.21 0.00 0.00 0.00 175.76 177.05 2x1t s ASN 11 N 0.96 5.51 0.42 0.00 2.47 0.11 -0.62 114.94 123.79 2x1t s ASN 11 Ca 0.02 -0.60 -0.25 0.00 0.42 0.00 0.00 52.86 52.44 2x1t s ASN 11 Cb -0.14 -1.99 -0.08 0.00 -1.45 0.00 0.00 41.25 37.59 2x1t s ASN 11 CO 0.02 -0.21 1.26 0.86 -3.72 0.00 0.00 177.10 175.30 2x1t s TRP 12 N 1.59 2.85 -0.00 0.43 -0.11 -0.45 -3.09 118.94 120.16 2x1t s TRP 12 Ca 0.04 1.46 -0.14 0.00 1.22 0.00 0.00 56.10 58.67 2x1t s TRP 12 Cb -0.17 -3.58 0.02 0.00 -1.50 0.00 0.00 33.47 28.24 2x1t s TRP 12 CO 0.06 -1.90 0.30 -1.59 -4.62 0.00 0.00 176.95 169.20 2x1t s LYS 13 N -2.34 0.68 0.49 5.86 -2.85 -1.26 -4.82 119.74 115.50 2x1t s LYS 13 Ca 0.59 -0.26 -0.23 0.00 -1.00 0.00 0.00 55.97 55.06 2x1t s LYS 13 Cb -0.35 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 35.65 2x1t s LYS 13 CO 0.45 -0.19 1.36 -1.54 0.10 0.00 0.00 175.35 175.53 2x1t s SER 15 N -1.45 5.64 0.00 0.03 1.04 -1.26 -3.91 113.70 113.79 2x1t s SER 15 Ca -0.12 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.07 2x1t s SER 15 Cb -0.05 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2x1t s SER 15 CO 0.03 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.54 2x1t n GLY 16 N 0.65 1.16 3.75 7.32 0.00 -1.26 -5.09 105.19 111.73 2x1t n GLY 16 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2x1t n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x1t s SER 17 N -2.00 7.14 0.10 1.61 0.15 -1.25 -4.92 113.70 114.53 2x1t s SER 17 Ca 0.00 2.32 0.27 0.00 0.70 0.00 0.00 55.95 59.24 2x1t s SER 17 Cb 0.00 -2.62 1.02 0.00 -1.71 0.00 0.00 66.02 62.70 2x1t s SER 17 CO 0.00 -0.27 1.84 -2.65 1.20 0.00 0.00 173.24 173.36 2x1t n PRO 18 N 1.55 0.12 -3.56 5.44 -0.02 -1.26 -4.88 135.00 132.39 2x1t n PRO 18 Ca 0.01 0.12 -0.23 0.00 -2.02 0.00 0.00 63.50 61.38 2x1t n PRO 18 Cb 0.44 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 2x1t n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x1t s ASP 19 N -3.71 6.30 -0.11 2.55 -0.00 -1.26 -5.09 116.67 115.35 2x1t s ASP 19 Ca 0.12 0.33 -0.22 0.00 -0.00 0.00 0.00 52.55 52.78 2x1t s ASP 19 Cb 0.15 -1.98 -0.03 0.00 -0.00 0.00 0.00 42.92 41.06 2x1t s ASP 19 CO 0.54 -0.23 0.66 -0.55 -0.00 0.00 0.00 175.17 175.59 2x1t s SER 20 N -4.02 6.87 0.17 0.27 0.15 -1.26 -4.98 113.70 110.90 2x1t s SER 20 Ca 0.38 1.05 -0.14 0.00 0.70 0.00 0.00 55.95 57.95 2x1t s SER 20 Cb -0.09 -2.38 0.07 0.00 -1.71 0.00 0.00 66.02 61.91 2x1t s SER 20 CO 0.34 -0.15 1.82 0.25 1.20 0.00 0.00 173.24 176.70 2x1t h LEU 21 N 7.14 0.65 -1.04 3.45 5.85 -1.98 -1.34 115.31 128.04 2x1t h LEU 21 Ca -0.38 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2x1t h LEU 21 Cb 1.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2x1t h LEU 21 CO 0.76 0.50 0.45 -1.28 -0.34 0.00 0.00 178.44 178.53 2x1t h SER 22 N 0.74 0.99 -0.35 1.25 0.87 -1.99 -0.28 113.55 114.78 2x1t h SER 22 Ca 0.20 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 2x1t h SER 22 Cb -0.03 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 2x1t h SER 22 CO -0.04 0.79 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.71 2x1t h GLU 23 N 1.12 0.72 -0.36 2.24 5.08 -1.86 -0.79 114.58 120.74 2x1t h GLU 23 Ca 0.28 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2x1t h GLU 23 Cb 0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2x1t h GLU 23 CO -0.05 0.75 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.55 2x1t h LEU 24 N 0.68 0.70 -0.65 1.33 3.38 -0.46 -1.31 115.31 118.97 2x1t h LEU 24 Ca 0.13 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2x1t h LEU 24 Cb 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2x1t h LEU 24 CO 0.02 0.91 0.40 0.40 0.09 0.00 0.00 178.44 180.25 2x1t h ILE 25 N 0.49 1.07 -0.67 1.22 2.04 -0.86 0.11 117.51 120.91 2x1t h ILE 25 Ca 0.09 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2x1t h ILE 25 Cb 0.60 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2x1t h ILE 25 CO 0.04 0.14 0.34 0.44 0.00 0.00 0.00 178.15 179.11 2x1t h ASP 26 N 0.78 0.48 -0.10 1.72 3.32 -0.95 0.13 116.42 121.79 2x1t h ASP 26 Ca 0.26 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.37 2x1t h ASP 26 Cb 0.03 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2x1t h ASP 26 CO -0.11 0.29 0.03 0.25 -1.72 0.00 0.00 179.24 177.98 2x1t h LEU 27 N 0.62 0.03 -0.59 1.55 5.85 -0.26 -1.52 115.31 120.99 2x1t h LEU 27 Ca 0.31 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 2x1t h LEU 27 Cb 0.27 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2x1t h LEU 27 CO -0.22 0.03 0.32 -0.26 -0.34 0.00 0.00 178.44 177.97 2x1t h PHE 28 N 0.08 0.81 -0.80 1.25 0.04 -0.58 -2.15 116.94 115.60 2x1t h PHE 28 Ca 0.04 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.86 2x1t h PHE 28 Cb 0.03 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 37.87 2x1t h PHE 28 CO -0.10 0.59 0.52 -0.91 -0.60 0.00 0.00 178.31 177.80 2x1t h ASN 29 N 0.79 0.76 0.44 2.17 2.35 -0.44 -1.44 115.58 120.21 2x1t h ASN 29 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2x1t h ASN 29 Cb 0.05 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2x1t h ASN 29 CO -0.03 0.49 -0.02 -1.54 -1.65 0.00 0.00 177.43 174.68 2x1t n SER 30 N -4.48 0.09 -4.72 5.81 3.41 -0.60 -4.81 113.62 108.32 2x1t n SER 30 Ca 0.12 -0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 57.96 2x1t n SER 30 Cb 0.21 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2x1t n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1t s THR 31 N -2.46 4.94 -0.27 6.66 2.01 -0.55 -5.03 115.64 120.94 2x1t s THR 31 Ca 0.32 1.65 -0.27 0.00 0.31 0.00 0.00 61.69 63.70 2x1t s THR 31 Cb 0.21 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2x1t s THR 31 CO 0.45 0.25 0.96 -0.44 -0.69 0.00 0.00 174.62 175.15 2x1t s SER 32 N 0.71 6.92 -0.12 3.53 0.01 -1.26 -5.02 113.70 118.46 2x1t s SER 32 Ca 0.42 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.76 2x1t s SER 32 Cb -0.19 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.57 2x1t s SER 32 CO 0.22 -0.69 -0.09 -0.63 0.41 0.00 0.00 173.24 172.46 2x1t s ILE 33 N 3.22 1.16 -0.08 1.44 1.01 -1.26 -5.03 121.20 121.65 2x1t s ILE 33 Ca 0.40 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2x1t s ILE 33 Cb -0.14 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.19 2x1t s ILE 33 CO 0.10 0.37 0.89 0.59 0.00 0.00 0.00 174.94 176.90 2x1t n ASN 34 N 4.90 1.81 -4.60 3.58 3.02 -1.26 -5.01 115.26 117.71 2x1t n ASN 34 Ca -0.13 -1.75 -0.24 0.00 -0.03 0.00 0.00 54.58 52.42 2x1t n ASN 34 Cb 0.50 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 2x1t n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x1t s HIS 35 N -0.76 2.51 -0.66 3.10 -3.43 -1.26 -5.07 115.29 109.72 2x1t s HIS 35 Ca 0.02 -0.40 -0.27 0.00 -0.80 0.00 0.00 55.06 53.61 2x1t s HIS 35 Cb 0.01 -1.35 -0.00 0.00 -1.43 0.00 0.00 32.58 29.81 2x1t s HIS 35 CO 0.01 0.55 1.64 0.34 -2.00 0.00 0.00 174.74 175.28 2x1t s ASP 36 N -3.66 5.62 -0.06 7.38 2.15 -1.26 -4.94 116.67 121.90 2x1t s ASP 36 Ca 0.33 0.05 -0.03 0.00 0.43 0.00 0.00 52.55 53.33 2x1t s ASP 36 Cb -0.01 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2x1t s ASP 36 CO 0.18 -2.16 0.14 0.54 -0.17 0.00 0.00 175.17 173.70 2x1t s VAL 37 N 7.78 -0.03 -0.42 1.11 0.11 -1.26 -4.32 120.40 123.37 2x1t s VAL 37 Ca 0.55 0.12 -0.26 0.00 -2.93 0.00 0.00 61.98 59.46 2x1t s VAL 37 Cb -0.11 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.54 2x1t s VAL 37 CO 0.19 0.05 0.94 -1.58 -3.33 0.00 0.00 175.10 171.36 2x1t s GLN 38 N 0.78 3.69 0.05 1.54 2.00 -0.63 -4.90 119.66 122.19 2x1t s GLN 38 Ca -0.06 0.38 -0.16 0.00 -2.00 0.00 0.00 55.36 53.52 2x1t s GLN 38 Cb -0.08 -3.87 -0.06 0.00 0.80 0.00 0.00 33.01 29.80 2x1t s GLN 38 CO -0.04 -1.10 0.49 0.00 -0.50 0.00 0.00 175.29 174.14 2x1t s VAL 40 N -1.14 0.52 -0.34 0.00 1.01 -0.07 -0.78 120.40 119.59 2x1t s VAL 40 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 2x1t s VAL 40 Cb -0.18 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.73 2x1t s VAL 40 CO 0.16 0.20 0.10 -0.69 0.00 0.00 0.00 175.10 174.87 2x1t s VAL 41 N 0.67 3.52 -0.26 2.92 1.01 -0.44 -0.31 120.40 127.51 2x1t s VAL 41 Ca -0.09 -1.33 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 2x1t s VAL 41 Cb -0.12 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2x1t s VAL 41 CO 0.00 -0.24 0.58 0.00 0.00 0.00 0.00 175.10 175.44 2x1t s ALA 42 N 1.33 3.60 0.10 5.51 0.00 0.21 -0.58 121.76 131.93 2x1t s ALA 42 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 51.96 51.51 2x1t s ALA 42 Cb -0.20 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2x1t s ALA 42 CO 0.01 -0.79 -0.21 -1.12 0.00 0.00 0.00 175.76 173.65 2x1t s SER 43 N 1.51 3.69 0.68 0.00 0.01 0.41 -1.34 113.70 118.67 2x1t s SER 43 Ca 0.24 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 2x1t s SER 43 Cb -0.16 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.61 2x1t s SER 43 CO 0.09 0.20 1.07 0.28 0.41 0.00 0.00 173.24 175.29 2x1t s THR 44 N -1.05 3.77 0.25 1.44 -1.32 -1.26 -3.61 115.64 113.86 2x1t s THR 44 Ca 0.16 0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 61.26 2x1t s THR 44 Cb -0.10 -3.27 0.23 0.00 -1.51 0.00 0.00 72.50 67.85 2x1t s THR 44 CO 0.08 -0.68 1.84 0.15 -2.21 0.00 0.00 174.62 173.80 2x1t h PHE 45 N -0.48 1.00 0.00 9.09 3.04 -1.97 -1.95 116.94 125.67 2x1t h PHE 45 Ca -0.45 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.52 2x1t h PHE 45 Cb 1.22 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 2x1t h PHE 45 CO 0.60 0.46 -0.07 -0.24 -2.02 0.00 0.00 178.31 177.04 2x1t h VAL 46 N 0.95 0.38 -0.38 1.41 3.04 -2.03 -2.38 116.25 117.24 2x1t h VAL 46 Ca 0.41 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2x1t h VAL 46 Cb 0.28 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2x1t h VAL 46 CO -0.21 0.07 0.00 1.41 -1.01 0.00 0.00 177.57 177.83 2x1t n HIS 47 N -3.47 0.50 -0.06 3.17 8.25 -0.74 -4.53 115.22 118.34 2x1t n HIS 47 Ca -0.02 -0.27 -0.11 0.00 -0.26 0.00 0.00 57.72 57.07 2x1t n HIS 47 Cb 0.21 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 2x1t n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x1t h LEU 48 N 4.17 0.27 0.21 2.41 3.38 -1.38 -0.53 115.31 123.83 2x1t h LEU 48 Ca 0.00 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2x1t h LEU 48 Cb 0.94 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2x1t h LEU 48 CO 0.00 0.33 -0.24 0.00 0.09 0.00 0.00 178.44 178.63 2x1t h ALA 49 N 0.95 -0.47 -0.85 1.53 0.00 -1.79 0.14 119.26 118.76 2x1t h ALA 49 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2x1t h ALA 49 Cb 0.14 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2x1t h ALA 49 CO -0.01 -0.80 0.57 1.98 0.00 0.00 0.00 179.25 180.99 2x1t h MET 50 N -0.49 1.12 -0.20 0.00 1.85 -1.84 -1.86 114.93 113.51 2x1t h MET 50 Ca 0.00 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 2x1t h MET 50 Cb 0.47 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 2x1t h MET 50 CO -0.07 0.74 -0.03 1.15 -0.40 0.00 0.00 176.91 178.30 2x1t h THR 51 N 1.16 1.28 -0.88 -0.77 2.02 -0.47 -0.78 112.91 114.46 2x1t h THR 51 Ca 0.31 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.58 2x1t h THR 51 Cb -0.13 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 2x1t h THR 51 CO -0.07 0.30 0.55 0.50 0.37 0.00 0.00 175.52 177.17 2x1t h LYS 52 N 0.11 0.95 -0.27 6.66 3.64 -0.52 -0.07 116.57 127.06 2x1t h LYS 52 Ca 0.05 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2x1t h LYS 52 Cb 0.47 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2x1t h LYS 52 CO 0.02 0.63 -0.54 1.49 -2.27 0.00 0.00 179.45 178.78 2x1t h GLU 53 N 0.98 0.85 0.08 1.90 4.57 -1.14 -3.37 114.58 118.45 2x1t h GLU 53 Ca 0.39 -0.55 -0.33 0.00 -1.18 0.00 0.00 59.36 57.69 2x1t h GLU 53 Cb 0.21 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2x1t h GLU 53 CO -0.19 1.18 -1.82 0.00 -1.18 0.00 0.00 179.01 177.00 2x1t h ARG 54 N 0.62 0.18 -6.40 1.92 2.47 -0.88 -3.46 114.38 108.82 2x1t h ARG 54 Ca 0.01 -0.31 -0.54 0.00 -1.26 0.00 0.00 59.98 57.88 2x1t h ARG 54 Cb 1.15 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.58 2x1t h ARG 54 CO 0.12 0.96 0.70 -1.17 0.56 0.00 0.00 179.97 181.14 2x1t s LEU 55 N -6.72 4.33 0.00 3.04 2.96 -0.06 -4.87 118.68 117.35 2x1t s LEU 55 Ca -0.14 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 2x1t s LEU 55 Cb 0.07 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2x1t s LEU 55 CO 0.80 -0.59 0.02 -1.54 -1.32 0.00 0.00 176.35 173.72 2x1t n SER 56 N 4.76 0.04 -4.68 3.68 3.41 -1.26 -4.90 113.62 114.67 2x1t n SER 56 Ca 0.11 -0.27 -0.45 0.00 -0.26 0.00 0.00 58.87 58.01 2x1t n SER 56 Cb 0.45 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 2x1t n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2x1t n HIS 57 N -0.27 2.47 0.32 7.33 -0.00 -1.26 -4.84 115.22 118.97 2x1t n HIS 57 Ca 0.00 0.02 0.20 0.00 -0.00 0.00 0.00 57.72 57.94 2x1t n HIS 57 Cb 0.02 -2.66 1.05 0.00 -0.00 0.00 0.00 29.99 28.41 2x1t n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2x1t h PRO 58 N 7.73 0.00 -0.12 1.57 0.11 -1.98 -1.10 132.00 138.21 2x1t h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2x1t h PRO 58 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2x1t h PRO 58 CO 0.93 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.35 2x1t n LYS 59 N -3.19 1.90 -4.22 1.05 5.02 -1.26 -4.92 118.16 112.53 2x1t n LYS 59 Ca -0.02 -1.33 -0.32 0.00 -2.02 0.00 0.00 58.31 54.62 2x1t n LYS 59 Cb 0.18 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 2x1t n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1t s PHE 60 N -1.86 3.10 0.20 2.13 0.40 -0.42 -1.15 117.98 120.39 2x1t s PHE 60 Ca 0.35 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.83 2x1t s PHE 60 Cb 0.20 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 42.02 2x1t s PHE 60 CO 0.30 0.48 -0.13 0.14 0.70 0.00 0.00 175.22 176.71 2x1t s VAL 61 N -1.15 1.65 -0.00 -0.44 -7.23 0.04 -4.89 120.40 108.37 2x1t s VAL 61 Ca 0.21 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 2x1t s VAL 61 Cb -0.12 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2x1t s VAL 61 CO 0.12 -0.58 0.33 -0.63 -0.31 0.00 0.00 175.10 174.03 2x1t s ILE 62 N -3.03 5.19 0.13 -0.62 1.01 -1.26 -1.32 121.20 121.30 2x1t s ILE 62 Ca 0.23 0.48 0.11 0.00 0.00 0.00 0.00 60.65 61.47 2x1t s ILE 62 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2x1t s ILE 62 CO 0.07 0.47 -0.26 0.00 0.00 0.00 0.00 174.94 175.22 2x1t s ALA 63 N -1.19 2.29 0.73 9.38 0.00 0.25 -3.88 121.76 129.33 2x1t s ALA 63 Ca 0.25 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 2x1t s ALA 63 Cb -0.14 -0.35 0.13 0.00 0.00 0.00 0.00 23.12 22.76 2x1t s ALA 63 CO 0.13 0.50 1.00 0.00 0.00 0.00 0.00 175.76 177.39 2x1t s ALA 64 N -1.13 3.75 -0.02 0.00 0.00 -0.39 -0.45 121.76 123.52 2x1t s ALA 64 Ca 0.13 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.32 2x1t s ALA 64 Cb -0.10 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2x1t s ALA 64 CO 0.06 -1.49 -0.08 -0.65 0.00 0.00 0.00 175.76 173.60 2x1t s GLN 65 N -5.15 0.87 0.00 0.00 -0.21 -1.24 -1.26 119.66 112.68 2x1t s GLN 65 Ca 0.67 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.76 2x1t s GLN 65 Cb -0.05 -0.83 0.00 0.00 1.00 0.00 0.00 33.01 33.14 2x1t s GLN 65 CO 0.44 0.11 0.00 0.09 -2.12 0.00 0.00 175.29 173.82 2x1t n ASN 66 N 3.25 0.00 -4.70 5.90 3.02 -0.55 -4.90 115.26 117.29 2x1t n ASN 66 Ca -0.18 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.94 2x1t n ASN 66 Cb 0.55 -1.17 -0.02 0.00 -0.61 0.00 0.00 39.78 38.52 2x1t n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x1t n ALA 67 N 0.79 1.66 -0.48 5.41 0.00 -1.26 -4.87 120.51 121.76 2x1t n ALA 67 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2x1t n ALA 67 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 2x1t n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1t n GLY 68 N 2.30 0.30 3.77 0.00 0.00 -1.26 -4.94 105.19 105.36 2x1t n GLY 68 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2x1t n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1t s ASN 69 N -0.09 6.13 0.27 1.61 3.84 -1.26 -4.86 114.94 120.58 2x1t s ASN 69 Ca 0.00 0.29 -0.04 0.00 0.21 0.00 0.00 52.86 53.32 2x1t s ASN 69 Cb 0.00 -2.03 0.36 0.00 -0.55 0.00 0.00 41.25 39.03 2x1t s ASN 69 CO 0.00 0.27 1.92 0.00 -2.79 0.00 0.00 177.10 176.50 2x1t h ALA 70 N 5.99 1.36 -0.55 1.71 0.00 -1.97 -0.39 119.26 125.42 2x1t h ALA 70 Ca -0.46 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2x1t h ALA 70 Cb 1.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2x1t h ALA 70 CO 0.68 0.55 -0.09 -0.44 0.00 0.00 0.00 179.25 179.95 2x1t h ASP 71 N 1.24 1.02 -0.46 0.00 3.32 -1.99 -1.64 116.42 117.91 2x1t h ASP 71 Ca 0.39 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 2x1t h ASP 71 Cb -0.00 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2x1t h ASP 71 CO -0.12 1.12 -0.03 0.00 -1.72 0.00 0.00 179.24 178.50 2x1t h ALA 72 N 0.93 0.98 -0.48 3.45 0.00 -1.79 -0.89 119.26 121.46 2x1t h ALA 72 Ca 0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2x1t h ALA 72 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2x1t h ALA 72 CO 0.05 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.90 2x1t h LEU 80 N 0.82 0.79 -0.65 0.00 3.38 -0.93 -0.70 115.31 118.02 2x1t h LEU 80 Ca 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2x1t h LEU 80 Cb 0.53 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2x1t h LEU 80 CO 0.03 0.86 0.31 0.00 0.09 0.00 0.00 178.44 179.73 2x1t h ALA 81 N 0.95 0.84 -0.51 1.53 0.00 -1.09 -1.05 119.26 119.94 2x1t h ALA 81 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2x1t h ALA 81 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2x1t h ALA 81 CO 0.01 0.41 0.03 1.03 0.00 0.00 0.00 179.25 180.73 2x1t h SER 82 N 0.90 0.79 -0.47 0.00 0.87 -0.97 -0.26 113.55 114.41 2x1t h SER 82 Ca 0.22 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2x1t h SER 82 Cb 0.12 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2x1t h SER 82 CO -0.03 0.84 0.15 -0.07 -0.53 0.00 0.00 176.83 177.19 2x1t h LEU 83 N 0.78 0.69 -0.14 2.23 3.38 -0.82 -1.35 115.31 120.07 2x1t h LEU 83 Ca 0.15 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2x1t h LEU 83 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2x1t h LEU 83 CO 0.02 0.71 0.07 0.11 0.09 0.00 0.00 178.44 179.44 2x1t h LYS 84 N 0.63 0.15 -0.68 1.13 1.79 -0.73 -0.77 116.57 118.09 2x1t h LYS 84 Ca 0.15 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.72 2x1t h LYS 84 Cb 0.27 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 2x1t h LYS 84 CO -0.00 0.10 0.45 -0.44 -1.08 0.00 0.00 179.45 178.48 2x1t h ASP 85 N 0.16 0.47 1.01 0.86 3.32 -0.98 -0.59 116.42 120.66 2x1t h ASP 85 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2x1t h ASP 85 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2x1t h ASP 85 CO -0.03 0.28 0.00 0.33 -1.72 0.00 0.00 179.24 178.09 2x1t n PHE 86 N -4.48 0.83 0.00 4.55 7.35 -0.52 -4.88 117.46 120.31 2x1t n PHE 86 Ca 0.11 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 2x1t n PHE 86 Cb 0.37 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.23 2x1t n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1t n GLY 87 N 0.51 1.04 3.61 7.13 0.00 -0.23 -5.07 105.19 112.17 2x1t n GLY 87 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2x1t n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1t s VAL 88 N -2.00 5.17 -0.24 1.61 1.01 -0.39 -4.92 120.40 120.64 2x1t s VAL 88 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2x1t s VAL 88 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2x1t s VAL 88 CO 0.00 0.15 0.45 0.59 0.00 0.00 0.00 175.10 176.30 2x1t n ASN 89 N 5.33 0.92 -4.30 3.32 4.13 -1.26 -3.60 115.26 119.80 2x1t n ASN 89 Ca -0.08 -0.96 -0.21 0.00 1.68 0.00 0.00 54.58 55.01 2x1t n ASN 89 Cb 0.51 0.24 -0.11 0.00 -1.54 0.00 0.00 39.78 38.88 2x1t n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2x1t s TRP 90 N -0.43 1.72 -0.08 3.10 0.52 -1.25 -0.60 118.94 121.92 2x1t s TRP 90 Ca 0.02 -0.48 -0.19 0.00 0.02 0.00 0.00 56.10 55.48 2x1t s TRP 90 Cb 0.02 -0.88 0.04 0.00 -1.15 0.00 0.00 33.47 31.50 2x1t s TRP 90 CO 0.04 0.27 0.44 -1.50 0.02 0.00 0.00 176.95 176.22 2x1t s ILE 91 N -1.92 0.03 -0.13 2.03 2.07 -0.65 -1.26 121.20 121.37 2x1t s ILE 91 Ca 0.13 -0.21 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 2x1t s ILE 91 Cb -0.06 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 2x1t s ILE 91 CO 0.05 -0.12 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.25 2x1t s VAL 92 N -0.77 4.00 0.05 4.00 1.01 -0.39 -0.74 120.40 127.56 2x1t s VAL 92 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2x1t s VAL 92 Cb -0.03 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2x1t s VAL 92 CO 0.04 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 174.85 2x1t s LEU 93 N -0.09 2.33 -0.11 3.92 1.43 -0.22 -1.48 118.68 124.46 2x1t s LEU 93 Ca 0.02 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2x1t s LEU 93 Cb -0.13 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2x1t s LEU 93 CO 0.02 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2x1t n GLY 94 N 1.03 0.46 3.66 -3.19 0.00 -1.26 -1.03 105.19 104.86 2x1t n GLY 94 Ca -0.20 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2x1t n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1t n HIS 95 N -2.78 1.25 -0.26 1.61 -0.00 -1.26 -4.44 115.22 109.34 2x1t n HIS 95 Ca -0.01 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.60 2x1t n HIS 95 Cb 0.13 -2.19 0.07 0.00 -0.12 0.00 0.00 29.99 27.87 2x1t n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2x1t h SER 96 N 0.58 -0.82 0.49 0.26 4.64 -1.94 0.14 113.55 116.90 2x1t h SER 96 Ca -0.49 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2x1t h SER 96 Cb 1.35 0.50 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2x1t h SER 96 CO 0.52 -0.26 -0.07 1.05 -0.87 0.00 0.00 176.83 177.20 2x1t h GLU 97 N -0.03 0.00 -0.69 4.77 9.09 -1.98 0.16 114.58 125.89 2x1t h GLU 97 Ca 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 2x1t h GLU 97 Cb 0.55 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 2x1t h GLU 97 CO -0.77 0.07 0.41 0.00 0.05 0.00 0.00 179.01 178.77 2x1t h ARG 98 N 0.00 0.94 0.08 1.06 2.47 -1.03 -0.45 114.38 117.45 2x1t h ARG 98 Ca -0.00 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.42 2x1t h ARG 98 Cb 0.33 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2x1t h ARG 98 CO 0.01 0.66 -1.09 0.00 0.56 0.00 0.00 179.97 180.11 2x1t h ARG 99 N 0.95 0.18 0.00 0.04 3.08 -1.04 -0.05 114.38 117.53 2x1t h ARG 99 Ca 0.25 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2x1t h ARG 99 Cb -0.03 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2x1t h ARG 99 CO -0.05 1.14 -0.44 0.11 -1.07 0.00 0.00 179.97 179.66 2x1t h TRP 100 N -0.53 0.00 0.00 3.04 5.08 -1.29 -3.32 115.95 118.93 2x1t h TRP 100 Ca -0.24 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.62 2x1t h TRP 100 Cb 1.56 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.70 2x1t h TRP 100 CO 0.15 0.00 -1.09 0.98 -1.28 0.00 0.00 178.44 177.21 2x1t n TYR 101 N -2.91 0.00 1.06 0.12 9.36 -0.21 -4.74 117.16 119.85 2x1t n TYR 101 Ca 0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.38 2x1t n TYR 101 Cb 0.54 -0.35 0.64 0.00 -0.63 0.00 0.00 39.34 39.54 2x1t n TYR 101 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2x1t n TYR 102 N -3.77 0.00 -1.75 2.98 4.01 -1.01 -4.92 117.16 112.71 2x1t n TYR 102 Ca -0.16 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.56 2x1t n TYR 102 Cb 0.46 -0.47 -0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2x1t n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x1t n GLY 103 N 1.47 0.36 3.60 2.72 0.00 -0.85 -4.99 105.19 107.50 2x1t n GLY 103 Ca 0.08 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 2x1t n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1t s GLU 104 N -3.52 3.60 0.91 1.61 2.02 -0.09 -4.99 118.70 118.23 2x1t s GLU 104 Ca 0.00 0.70 -0.12 0.00 0.02 0.00 0.00 54.97 55.56 2x1t s GLU 104 Cb 0.00 -3.99 0.14 0.00 0.10 0.00 0.00 34.13 30.38 2x1t s GLU 104 CO 0.00 -1.54 1.13 0.95 0.02 0.00 0.00 175.26 175.82 2x1t s THR 105 N 5.08 2.07 0.36 3.63 -4.23 -1.26 -4.25 115.64 117.05 2x1t s THR 105 Ca 0.54 0.02 0.13 0.00 -1.18 0.00 0.00 61.69 61.20 2x1t s THR 105 Cb -0.10 -2.75 0.35 0.00 1.34 0.00 0.00 72.50 71.33 2x1t s THR 105 CO 0.31 -0.03 1.80 0.78 -0.54 0.00 0.00 174.62 176.94 2x1t h ASN 106 N -1.50 0.58 0.12 3.99 2.35 -1.95 -0.36 115.58 118.81 2x1t h ASN 106 Ca -0.51 0.08 -0.25 0.00 -0.55 0.00 0.00 56.30 55.07 2x1t h ASN 106 Cb 1.33 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.68 2x1t h ASN 106 CO 0.61 0.19 -0.99 -0.33 -1.65 0.00 0.00 177.43 175.27 2x1t h GLU 107 N 0.56 0.60 -0.34 0.81 3.07 -1.92 -1.47 114.58 115.89 2x1t h GLU 107 Ca 0.55 -0.64 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 2x1t h GLU 107 Cb 1.13 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 2x1t h GLU 107 CO -0.29 1.24 0.02 0.82 -1.40 0.00 0.00 179.01 179.40 2x1t h ILE 108 N 0.34 1.25 -0.20 3.13 2.04 -1.62 0.17 117.51 122.62 2x1t h ILE 108 Ca -0.11 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 64.86 2x1t h ILE 108 Cb 1.64 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 2x1t h ILE 108 CO 0.19 0.30 0.09 0.58 0.00 0.00 0.00 178.15 179.30 2x1t h VAL 109 N 0.40 0.98 -0.89 1.67 2.07 -1.12 -1.61 116.25 117.75 2x1t h VAL 109 Ca 0.10 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2x1t h VAL 109 Cb 0.41 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2x1t h VAL 109 CO 0.01 0.03 0.58 0.00 0.02 0.00 0.00 177.57 178.22 2x1t h ALA 110 N 1.11 1.16 -0.51 1.67 0.00 -1.04 0.05 119.26 121.69 2x1t h ALA 110 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2x1t h ALA 110 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2x1t h ALA 110 CO -0.07 0.46 -0.06 -0.44 0.00 0.00 0.00 179.25 179.14 2x1t h ASP 111 N 1.15 0.90 -0.55 0.00 3.32 -0.72 -1.01 116.42 119.51 2x1t h ASP 111 Ca 0.34 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2x1t h ASP 111 Cb -0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2x1t h ASP 111 CO -0.10 1.00 0.23 0.11 -1.72 0.00 0.00 179.24 178.76 2x1t h LYS 112 N 0.83 0.82 -0.56 3.56 1.57 -0.38 -1.03 116.57 121.38 2x1t h LYS 112 Ca 0.14 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2x1t h LYS 112 Cb 0.58 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2x1t h LYS 112 CO 0.04 0.70 0.35 0.28 -0.57 0.00 0.00 179.45 180.25 2x1t h VAL 113 N 0.75 1.10 -0.49 0.50 2.07 -0.64 0.25 116.25 119.78 2x1t h VAL 113 Ca 0.18 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2x1t h VAL 113 Cb 0.18 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2x1t h VAL 113 CO -0.02 0.13 0.13 0.00 0.02 0.00 0.00 177.57 177.83 2x1t h ALA 114 N 1.23 0.65 -0.76 1.67 0.00 -0.98 -0.55 119.26 120.51 2x1t h ALA 114 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2x1t h ALA 114 Cb -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2x1t h ALA 114 CO -0.07 0.33 0.42 0.00 0.00 0.00 0.00 179.25 179.92 2x1t h ALA 115 N 1.00 0.97 -0.26 0.00 0.00 -0.82 -0.05 119.26 120.09 2x1t h ALA 115 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x1t h ALA 115 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2x1t h ALA 115 CO -0.00 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.76 2x1t h ALA 116 N 1.22 0.35 -0.85 0.00 0.00 -0.62 -1.50 119.26 117.85 2x1t h ALA 116 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2x1t h ALA 116 Cb 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2x1t h ALA 116 CO -0.04 0.04 0.48 0.28 0.00 0.00 0.00 179.25 180.01 2x1t h VAL 117 N 0.25 1.25 -0.09 0.00 2.07 -0.90 -1.17 116.25 117.65 2x1t h VAL 117 Ca 0.08 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2x1t h VAL 117 Cb 0.35 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2x1t h VAL 117 CO 0.01 0.27 0.01 0.00 0.02 0.00 0.00 177.57 177.88 2x1t h ALA 118 N 1.26 1.85 -0.06 1.67 0.00 -0.76 -1.43 119.26 121.79 2x1t h ALA 118 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2x1t h ALA 118 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x1t h ALA 118 CO -0.05 0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.75 2x1t n SER 119 N -4.47 1.07 0.00 0.00 7.64 -0.53 -4.90 113.62 112.43 2x1t n SER 119 Ca -0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2x1t n SER 119 Cb 0.12 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2x1t n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1t n GLY 120 N 1.07 0.85 3.88 0.23 0.00 -0.54 -4.92 105.19 105.76 2x1t n GLY 120 Ca 0.18 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2x1t n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1t s PHE 121 N -2.00 3.47 0.03 1.61 0.40 -0.68 -4.95 117.98 115.86 2x1t s PHE 121 Ca 0.00 0.92 -0.25 0.00 -0.60 0.00 0.00 56.93 57.00 2x1t s PHE 121 Cb 0.00 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 2x1t s PHE 121 CO 0.00 -0.00 0.77 -1.64 0.70 0.00 0.00 175.22 175.05 2x1t s MET 122 N -3.69 4.50 -0.09 0.44 -1.94 0.23 -4.53 119.30 114.21 2x1t s MET 122 Ca 0.49 1.07 0.04 0.00 -1.71 0.00 0.00 55.69 55.58 2x1t s MET 122 Cb -0.10 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.36 2x1t s MET 122 CO 0.30 0.25 -0.22 0.08 -0.01 0.00 0.00 175.02 175.41 2x1t s VAL 123 N 0.08 1.90 -0.42 -6.03 1.01 0.26 -1.63 120.40 115.57 2x1t s VAL 123 Ca 0.39 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 2x1t s VAL 123 Cb -0.20 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.57 2x1t s VAL 123 CO 0.23 0.53 0.30 -0.63 0.00 0.00 0.00 175.10 175.52 2x1t s ILE 124 N 0.38 4.97 -0.21 2.22 1.01 0.08 -0.22 121.20 129.43 2x1t s ILE 124 Ca -0.18 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 2x1t s ILE 124 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2x1t s ILE 124 CO 0.08 -0.39 0.11 0.00 0.00 0.00 0.00 174.94 174.73 2x1t s ALA 125 N 1.61 3.51 -0.09 9.38 0.00 0.14 -1.05 121.76 135.26 2x1t s ALA 125 Ca 0.04 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 2x1t s ALA 125 Cb -0.21 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2x1t s ALA 125 CO 0.07 0.02 0.14 0.00 0.00 0.00 0.00 175.76 176.00 2x1t s ILE 127 N -1.10 0.11 0.00 0.00 -4.36 -0.41 -4.62 121.20 110.82 2x1t s ILE 127 Ca 0.18 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2x1t s ILE 127 Cb -0.12 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.69 2x1t s ILE 127 CO 0.08 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.36 2x1t n GLY 128 N -0.09 3.70 3.81 6.27 0.00 -1.26 -0.56 105.19 117.06 2x1t n GLY 128 Ca -0.07 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 2x1t n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1t s GLU 129 N -2.42 2.93 0.79 1.61 1.03 -1.25 -4.79 118.70 116.60 2x1t s GLU 129 Ca 0.00 -0.88 -0.11 0.00 0.03 0.00 0.00 54.97 54.02 2x1t s GLU 129 Cb 0.00 -2.65 0.08 0.00 -0.80 0.00 0.00 34.13 30.76 2x1t s GLU 129 CO 0.00 0.48 1.14 0.95 -1.33 0.00 0.00 175.26 176.50 2x1t s THR 130 N -1.79 2.08 0.14 1.83 -4.23 -1.26 -1.80 115.64 110.61 2x1t s THR 130 Ca 0.31 -0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.56 2x1t s THR 130 Cb -0.10 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.73 2x1t s THR 130 CO 0.24 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.32 2x1t h LEU 131 N -0.96 0.14 -0.91 4.79 5.85 -1.80 0.14 115.31 122.56 2x1t h LEU 131 Ca -0.45 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2x1t h LEU 131 Cb 1.32 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 2x1t h LEU 131 CO 0.62 0.11 0.60 -0.61 -0.34 0.00 0.00 178.44 178.82 2x1t h GLN 132 N 0.24 1.16 -0.22 1.25 -0.00 -1.95 0.15 115.11 115.74 2x1t h GLN 132 Ca 0.12 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.68 2x1t h GLN 132 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 27.48 27.29 2x1t h GLN 132 CO -0.12 0.77 0.04 0.93 0.00 0.00 0.00 178.83 180.45 2x1t h GLU 133 N 1.19 0.37 -0.25 1.69 5.08 -1.84 -1.92 114.58 118.90 2x1t h GLU 133 Ca 0.34 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2x1t h GLU 133 Cb -0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2x1t h GLU 133 CO -0.09 0.50 0.15 -0.09 -1.00 0.00 0.00 179.01 178.48 2x1t h ARG 134 N 0.17 0.35 0.00 2.33 9.65 -0.22 0.75 114.38 127.42 2x1t h ARG 134 Ca 0.07 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2x1t h ARG 134 Cb 0.31 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2x1t h ARG 134 CO 0.00 0.29 0.00 0.93 2.80 0.00 0.00 179.97 183.99 2x1t h GLU 135 N 0.31 0.00 -0.52 0.20 5.08 -0.70 -1.97 114.58 116.99 2x1t h GLU 135 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2x1t h GLU 135 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2x1t h GLU 135 CO -0.02 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.86 2x1t n SER 136 N -2.85 2.79 -0.38 1.42 3.41 -0.72 -4.92 113.62 112.36 2x1t n SER 136 Ca 0.02 -2.02 -0.04 0.00 -0.26 0.00 0.00 58.87 56.57 2x1t n SER 136 Cb 0.37 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2x1t n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1t n GLY 137 N 1.29 0.50 1.22 5.00 0.00 -0.74 -4.94 105.19 107.52 2x1t n GLY 137 Ca 0.17 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.46 2x1t n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1t n ARG 138 N -2.28 3.47 -0.07 1.61 1.74 0.25 -4.66 116.66 116.71 2x1t n ARG 138 Ca -0.04 -2.75 -0.07 0.00 -0.77 0.00 0.00 57.85 54.21 2x1t n ARG 138 Cb 0.30 -1.81 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 2x1t n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1t h THR 139 N 2.92 0.64 -0.01 0.55 2.02 -1.82 -1.26 112.91 115.95 2x1t h THR 139 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2x1t h THR 139 Cb 1.39 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2x1t h THR 139 CO 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 176.11 2x1t h ALA 140 N 1.20 0.01 -0.91 6.16 0.00 -1.95 -0.96 119.26 122.82 2x1t h ALA 140 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x1t h ALA 140 Cb 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2x1t h ALA 140 CO -0.32 -0.33 0.60 -0.24 0.00 0.00 0.00 179.25 178.96 2x1t h VAL 141 N -0.31 1.18 0.25 0.00 3.04 -1.86 0.34 116.25 118.89 2x1t h VAL 141 Ca 0.00 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 2x1t h VAL 141 Cb 0.32 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 2x1t h VAL 141 CO 0.00 0.21 -0.12 0.58 -1.01 0.00 0.00 177.57 177.23 2x1t h VAL 142 N 1.17 0.75 -0.68 1.51 2.07 -1.09 -1.50 116.25 118.49 2x1t h VAL 142 Ca 0.36 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2x1t h VAL 142 Cb -0.03 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2x1t h VAL 142 CO -0.10 0.15 0.42 0.58 0.02 0.00 0.00 177.57 178.63 2x1t h VAL 143 N -0.77 1.19 0.00 2.57 2.07 -1.05 -0.91 116.25 119.35 2x1t h VAL 143 Ca -0.03 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2x1t h VAL 143 Cb 0.50 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2x1t h VAL 143 CO 0.06 0.20 -0.49 -0.07 0.02 0.00 0.00 177.57 177.29 2x1t h LEU 144 N 0.92 0.00 -0.30 2.57 3.38 -0.99 -2.23 115.31 118.67 2x1t h LEU 144 Ca 0.24 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 2x1t h LEU 144 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2x1t h LEU 144 CO -0.05 0.49 -0.62 0.74 0.09 0.00 0.00 178.44 179.09 2x1t h THR 145 N 0.00 1.29 -0.33 0.22 2.02 -0.87 -1.66 112.91 113.57 2x1t h THR 145 Ca -0.00 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.33 2x1t h THR 145 Cb 1.00 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2x1t h THR 145 CO 0.06 0.59 0.13 1.56 0.37 0.00 0.00 175.52 178.23 2x1t h GLN 146 N 0.58 0.50 -0.07 6.66 4.20 -0.86 -2.44 115.11 123.69 2x1t h GLN 146 Ca -0.01 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 2x1t h GLN 146 Cb 1.23 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2x1t h GLN 146 CO 0.13 0.50 -0.61 0.97 -0.67 0.00 0.00 178.83 179.16 2x1t h ILE 147 N 0.39 1.39 -0.81 2.54 2.10 -1.45 -2.99 117.51 118.68 2x1t h ILE 147 Ca 0.11 -1.99 -0.00 0.00 1.08 0.00 0.00 64.86 64.06 2x1t h ILE 147 Cb 0.19 2.01 -0.04 0.00 -1.09 0.00 0.00 36.82 37.89 2x1t h ILE 147 CO -0.01 0.59 0.50 0.00 -1.08 0.00 0.00 178.15 178.15 2x1t h ALA 148 N 1.20 1.36 -0.63 0.18 0.00 -1.16 0.79 119.26 120.99 2x1t h ALA 148 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2x1t h ALA 148 Cb 1.11 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2x1t h ALA 148 CO 0.09 0.56 0.27 0.00 0.00 0.00 0.00 179.25 180.17 2x1t h ALA 149 N 1.44 0.82 -0.17 0.00 0.00 -1.31 0.86 119.26 120.91 2x1t h ALA 149 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2x1t h ALA 149 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2x1t h ALA 149 CO -0.06 0.43 0.07 0.82 0.00 0.00 0.00 179.25 180.51 2x1t h ILE 150 N 0.88 1.14 -0.24 0.00 2.04 -1.27 -2.95 117.51 117.12 2x1t h ILE 150 Ca 0.21 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2x1t h ILE 150 Cb 0.18 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2x1t h ILE 150 CO -0.02 0.14 0.02 0.00 0.00 0.00 0.00 178.15 178.29 2x1t h ALA 151 N 0.92 1.59 -0.37 1.87 0.00 -0.48 -2.07 119.26 120.72 2x1t h ALA 151 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2x1t h ALA 151 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2x1t h ALA 151 CO -0.01 0.31 0.25 -0.22 0.00 0.00 0.00 179.25 179.58 2x1t h LYS 152 N 0.35 0.39 -0.26 0.00 3.64 -0.65 -2.11 116.57 117.92 2x1t h LYS 152 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2x1t h LYS 152 Cb 0.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2x1t h LYS 152 CO 0.00 0.26 0.00 1.63 -2.27 0.00 0.00 179.45 179.07 2x1t n LYS 153 N -4.48 2.21 -4.24 1.90 4.76 -0.79 -4.93 118.16 112.60 2x1t n LYS 153 Ca 0.03 -1.81 -0.25 0.00 -2.87 0.00 0.00 58.31 53.42 2x1t n LYS 153 Cb 0.14 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 31.78 2x1t n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1t s LEU 154 N -1.60 3.07 0.38 -0.35 1.43 -0.79 -4.78 118.68 116.03 2x1t s LEU 154 Ca 0.35 -1.07 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 2x1t s LEU 154 Cb 0.21 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 2x1t s LEU 154 CO 0.30 -0.44 0.05 -1.59 0.23 0.00 0.00 176.35 174.90 2x1t s LYS 155 N -3.83 2.08 0.20 1.70 -2.85 -1.26 -4.97 119.74 110.81 2x1t s LYS 155 Ca 0.39 -1.88 -0.10 0.00 -1.00 0.00 0.00 55.97 53.37 2x1t s LYS 155 Cb 0.03 -1.86 0.25 0.00 -2.06 0.00 0.00 37.83 34.20 2x1t s LYS 155 CO 0.21 0.02 1.74 -0.22 0.10 0.00 0.00 175.35 177.20 2x1t h LYS 156 N 1.70 0.36 0.00 1.78 3.64 -1.95 -0.62 116.57 121.48 2x1t h LYS 156 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2x1t h LYS 156 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2x1t h LYS 156 CO 0.71 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 2x1t h ALA 157 N 1.40 1.00 0.00 5.00 0.00 -2.00 -2.29 119.26 122.38 2x1t h ALA 157 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2x1t h ALA 157 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2x1t h ALA 157 CO -0.30 0.00 -0.19 -0.44 0.00 0.00 0.00 179.25 178.31 2x1t h ASP 158 N 0.00 0.00 0.42 0.00 3.32 -1.52 -2.97 116.42 115.68 2x1t h ASP 158 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x1t h ASP 158 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2x1t h ASP 158 CO 0.00 0.19 0.00 -0.50 -1.72 0.00 0.00 179.24 177.21 2x1t h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.53 -0.27 115.95 122.76 2x1t h TRP 159 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2x1t h TRP 159 Cb 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 2x1t h TRP 159 CO 0.00 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 174.86 2x1t h ALA 160 N 2.10 1.19 -0.45 1.49 0.00 -1.74 -2.24 119.26 119.60 2x1t h ALA 160 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x1t h ALA 160 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x1t h ALA 160 CO 0.00 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.91 2x1t n LYS 161 N -3.38 3.04 -5.03 0.00 4.76 -0.11 -4.98 118.16 112.46 2x1t n LYS 161 Ca -0.02 -2.45 -0.32 0.00 -2.87 0.00 0.00 58.31 52.64 2x1t n LYS 161 Cb 0.13 -1.54 -0.14 0.00 -1.84 0.00 0.00 35.03 31.64 2x1t n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1t s VAL 162 N -1.49 2.70 0.00 -0.18 1.01 -0.84 -0.58 120.40 121.02 2x1t s VAL 162 Ca 0.36 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2x1t s VAL 162 Cb 0.22 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2x1t s VAL 162 CO 0.19 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 175.06 2x1t s VAL 163 N -0.63 0.96 -0.11 2.92 1.01 0.69 -4.58 120.40 120.66 2x1t s VAL 163 Ca 0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2x1t s VAL 163 Cb -0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2x1t s VAL 163 CO 0.00 0.20 -0.04 -0.63 0.00 0.00 0.00 175.10 174.64 2x1t s ILE 164 N -0.41 3.93 -0.19 2.22 -1.09 -0.43 -0.69 121.20 124.55 2x1t s ILE 164 Ca 0.04 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2x1t s ILE 164 Cb -0.05 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2x1t s ILE 164 CO -0.00 0.56 -0.11 0.00 -1.23 0.00 0.00 174.94 174.15 2x1t s ALA 165 N -0.36 2.60 -0.36 9.38 0.00 0.21 0.22 121.76 133.46 2x1t s ALA 165 Ca 0.06 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.67 2x1t s ALA 165 Cb -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2x1t s ALA 165 CO 0.02 -0.29 0.66 -0.47 0.00 0.00 0.00 175.76 175.68 2x1t s TYR 166 N 1.23 3.15 -0.33 0.00 5.04 0.22 -1.29 117.35 125.37 2x1t s TYR 166 Ca 0.03 0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.95 2x1t s TYR 166 Cb -0.14 -3.18 0.01 0.00 0.35 0.00 0.00 41.96 39.00 2x1t s TYR 166 CO -0.05 -0.64 0.15 -1.21 -1.34 0.00 0.00 175.55 172.45 2x1t s GLU 167 N 2.77 3.04 -0.97 4.97 2.02 0.27 -0.44 118.70 130.37 2x1t s GLU 167 Ca 0.26 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 2x1t s GLU 167 Cb -0.14 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 2x1t s GLU 167 CO 0.15 -0.54 1.87 -1.25 0.02 0.00 0.00 175.26 175.51 2x1t s PRO 168 N 1.54 2.73 0.54 0.39 0.04 -1.26 -3.75 135.00 135.24 2x1t s PRO 168 Ca 0.03 -0.57 0.20 0.00 0.04 0.00 0.00 61.00 60.70 2x1t s PRO 168 Cb -0.18 -5.14 1.43 0.00 0.04 0.00 0.00 34.50 30.65 2x1t s PRO 168 CO 0.05 -3.26 2.18 0.28 0.04 0.00 0.00 177.00 176.29 2x1t h VAL 169 N 7.01 0.86 0.00 -0.36 2.07 -1.71 -2.34 116.25 121.78 2x1t h VAL 169 Ca 0.14 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2x1t h VAL 169 Cb 0.99 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2x1t h VAL 169 CO 1.25 0.00 0.02 -2.67 0.02 0.00 0.00 177.57 176.19 2x1t n TRP 170 N -4.33 0.00 0.15 1.57 4.27 -0.75 -1.67 117.44 116.69 2x1t n TRP 170 Ca -0.03 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.60 2x1t n TRP 170 Cb 0.09 -0.15 -0.01 0.00 -1.36 0.00 0.00 31.31 29.87 2x1t n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1t n ALA 171 N -1.12 2.43 -2.51 -1.67 0.00 -0.88 -4.51 120.51 112.25 2x1t n ALA 171 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2x1t n ALA 171 Cb 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 2x1t n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1t s ILE 172 N -1.14 5.04 0.00 0.00 -1.09 -0.67 -4.15 121.20 119.19 2x1t s ILE 172 Ca 0.02 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 2x1t s ILE 172 Cb 0.03 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2x1t s ILE 172 CO 0.12 -0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 2x1t n GLY 173 N 5.02 0.75 0.05 6.18 0.00 -1.26 -4.90 105.19 111.04 2x1t n GLY 173 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2x1t n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1t n THR 174 N -2.35 0.61 -0.16 2.61 -2.24 -1.26 -4.99 114.28 106.50 2x1t n THR 174 Ca 0.00 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2x1t n THR 174 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2x1t n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1t n GLY 175 N 1.77 0.58 3.84 3.38 0.00 -1.26 -5.07 105.19 108.43 2x1t n GLY 175 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2x1t n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1t s LYS 176 N -0.83 4.05 -0.10 1.61 -0.14 -1.26 -5.08 119.74 117.99 2x1t s LYS 176 Ca 0.00 0.81 0.03 0.00 -1.36 0.00 0.00 55.97 55.45 2x1t s LYS 176 Cb 0.00 -2.33 0.01 0.00 -1.68 0.00 0.00 37.83 33.82 2x1t s LYS 176 CO 0.00 0.06 -0.19 0.08 -0.76 0.00 0.00 175.35 174.54 2x1t s VAL 177 N -2.11 1.70 0.24 3.17 1.01 -1.26 -4.74 120.40 118.40 2x1t s VAL 177 Ca 0.57 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 2x1t s VAL 177 Cb -0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 2x1t s VAL 177 CO 0.18 0.48 0.94 0.00 0.00 0.00 0.00 175.10 176.70 2x1t s ALA 178 N 0.59 3.34 0.19 5.51 0.00 -1.26 -5.07 121.76 125.07 2x1t s ALA 178 Ca -0.14 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2x1t s ALA 178 Cb -0.17 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2x1t s ALA 178 CO 0.05 0.20 0.26 0.95 0.00 0.00 0.00 175.76 177.21 2x1t s THR 179 N -1.14 4.97 0.41 0.00 -4.23 -1.26 -5.00 115.64 109.40 2x1t s THR 179 Ca 0.41 -0.97 0.15 0.00 -1.18 0.00 0.00 61.69 60.10 2x1t s THR 179 Cb -0.26 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.33 2x1t s THR 179 CO 0.32 -0.20 1.89 -0.65 -0.54 0.00 0.00 174.62 175.44 2x1t h PRO 180 N 1.84 0.45 -0.43 3.99 0.11 -1.97 -0.77 132.00 135.23 2x1t h PRO 180 Ca -0.49 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2x1t h PRO 180 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2x1t h PRO 180 CO 0.64 0.30 -0.07 0.37 -0.21 0.00 0.00 178.00 179.03 2x1t h GLN 181 N 0.46 0.81 -0.35 1.05 4.15 -1.98 -0.05 115.11 119.20 2x1t h GLN 181 Ca 0.42 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2x1t h GLN 181 Cb 0.94 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 2x1t h GLN 181 CO -0.16 0.91 0.12 1.96 -1.93 0.00 0.00 178.83 179.73 2x1t h GLN 182 N 0.64 0.55 -0.12 1.69 4.20 -1.73 -0.07 115.11 120.26 2x1t h GLN 182 Ca 0.11 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2x1t h GLN 182 Cb 0.59 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2x1t h GLN 182 CO 0.04 0.57 0.07 0.00 -0.67 0.00 0.00 178.83 178.83 2x1t h ALA 183 N 0.96 0.16 -0.83 3.87 0.00 -1.14 -2.12 119.26 120.15 2x1t h ALA 183 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2x1t h ALA 183 Cb 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2x1t h ALA 183 CO -0.00 -0.32 0.53 0.37 0.00 0.00 0.00 179.25 179.82 2x1t h GLN 184 N 0.12 0.98 -0.63 0.00 5.75 -0.90 -1.30 115.11 119.13 2x1t h GLN 184 Ca 0.04 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2x1t h GLN 184 Cb 0.04 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 2x1t h GLN 184 CO -0.01 0.65 0.38 1.49 -2.65 0.00 0.00 178.83 178.69 2x1t h GLU 185 N 1.01 0.86 -0.36 1.69 4.81 -0.79 0.12 114.58 121.91 2x1t h GLU 185 Ca 0.34 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2x1t h GLU 185 Cb 0.05 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2x1t h GLU 185 CO -0.13 0.61 -0.13 0.00 -0.73 0.00 0.00 179.01 178.63 2x1t h ALA 186 N 1.19 0.50 -0.54 2.92 0.00 -1.07 -0.72 119.26 121.54 2x1t h ALA 186 Ca 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2x1t h ALA 186 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2x1t h ALA 186 CO -0.04 0.39 0.22 0.45 0.00 0.00 0.00 179.25 180.27 2x1t h HIS 187 N 0.51 0.81 -0.72 0.00 3.86 -1.07 -1.75 115.15 116.80 2x1t h HIS 187 Ca 0.08 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2x1t h HIS 187 Cb 0.66 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 2x1t h HIS 187 CO 0.06 0.66 0.37 0.00 0.86 0.00 0.00 177.93 179.88 2x1t h ALA 188 N 1.07 1.31 -0.26 2.45 0.00 -0.62 -0.43 119.26 122.77 2x1t h ALA 188 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x1t h ALA 188 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2x1t h ALA 188 CO -0.02 0.55 0.11 1.25 0.00 0.00 0.00 179.25 181.15 2x1t h LEU 189 N 1.00 0.35 -0.08 0.00 5.85 -0.76 -0.73 115.31 120.95 2x1t h LEU 189 Ca 0.25 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2x1t h LEU 189 Cb 0.06 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2x1t h LEU 189 CO -0.04 0.41 0.05 0.40 -0.34 0.00 0.00 178.44 178.92 2x1t h ILE 190 N 0.28 1.05 -0.64 4.05 2.04 -1.01 -2.54 117.51 120.73 2x1t h ILE 190 Ca 0.09 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2x1t h ILE 190 Cb 0.16 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2x1t h ILE 190 CO -0.01 0.05 0.18 -0.09 0.00 0.00 0.00 178.15 178.27 2x1t h ARG 191 N 0.07 0.99 -0.50 2.37 2.43 -0.90 -1.39 114.38 117.45 2x1t h ARG 191 Ca 0.03 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 2x1t h ARG 191 Cb 0.03 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2x1t h ARG 191 CO -0.01 0.87 0.26 1.03 -1.51 0.00 0.00 179.97 180.61 2x1t h SER 192 N 0.95 0.39 -0.34 -3.80 0.87 -1.02 0.33 113.55 110.93 2x1t h SER 192 Ca 0.21 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2x1t h SER 192 Cb 0.31 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2x1t h SER 192 CO -0.00 0.27 0.12 -0.25 -0.53 0.00 0.00 176.83 176.44 2x1t h TRP 193 N 0.52 0.54 -0.57 2.24 7.01 -1.01 -1.13 115.95 123.55 2x1t h TRP 193 Ca 0.22 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2x1t h TRP 193 Cb 0.10 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 2x1t h TRP 193 CO -0.09 0.52 0.32 0.28 -2.79 0.00 0.00 178.44 176.68 2x1t h VAL 194 N 0.40 1.18 -0.20 2.65 2.07 -0.98 0.57 116.25 121.95 2x1t h VAL 194 Ca 0.11 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2x1t h VAL 194 Cb 0.22 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2x1t h VAL 194 CO -0.01 0.20 0.04 -1.28 0.02 0.00 0.00 177.57 176.54 2x1t h SER 195 N 0.77 0.01 -0.50 0.57 0.87 -0.69 0.22 113.55 114.80 2x1t h SER 195 Ca 0.20 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2x1t h SER 195 Cb 0.03 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2x1t h SER 195 CO -0.03 0.03 -0.08 0.28 -0.53 0.00 0.00 176.83 176.50 2x1t h SER 196 N 0.12 0.93 0.41 6.23 0.02 -0.87 -2.79 113.55 117.60 2x1t h SER 196 Ca 0.09 -0.35 -0.26 0.00 -0.84 0.00 0.00 61.79 60.43 2x1t h SER 196 Cb 0.09 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 2x1t h SER 196 CO -0.12 1.06 -1.80 0.29 -1.14 0.00 0.00 176.83 175.12 2x1t n LYS 197 N -4.23 0.64 -0.05 3.45 4.76 0.16 -4.69 118.16 118.21 2x1t n LYS 197 Ca 0.01 0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.53 2x1t n LYS 197 Cb 0.37 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 31.81 2x1t n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x1t n ILE 198 N -2.89 0.55 0.00 -0.18 2.08 0.71 -5.06 119.36 114.56 2x1t n ILE 198 Ca -0.18 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 62.97 2x1t n ILE 198 Cb 1.00 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 2x1t n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1t n GLY 199 N 2.61 4.25 0.33 7.39 0.00 -0.73 -4.89 105.19 114.15 2x1t n GLY 199 Ca -0.19 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.45 2x1t n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1t h ALA 200 N 0.00 1.67 0.08 4.61 0.00 -1.81 -0.26 119.26 123.56 2x1t h ALA 200 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x1t h ALA 200 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2x1t h ALA 200 CO 0.00 0.28 -0.04 0.38 0.00 0.00 0.00 179.25 179.87 2x1t h ASP 201 N 0.69 -0.09 -0.54 0.00 3.04 -1.93 -1.90 116.42 115.69 2x1t h ASP 201 Ca 0.22 -0.13 0.03 0.00 -3.24 0.00 0.00 57.03 53.91 2x1t h ASP 201 Cb 0.03 0.02 -0.04 0.00 -1.04 0.00 0.00 39.33 38.30 2x1t h ASP 201 CO -0.05 0.07 0.32 0.58 -2.04 0.00 0.00 179.24 178.11 2x1t h VAL 202 N -0.25 1.04 -0.90 4.15 2.07 -1.81 -2.30 116.25 118.25 2x1t h VAL 202 Ca -0.01 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2x1t h VAL 202 Cb 0.21 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2x1t h VAL 202 CO 0.02 0.11 0.59 0.00 0.02 0.00 0.00 177.57 178.31 2x1t h ALA 203 N 1.24 1.48 -0.02 1.67 0.00 -0.93 -0.72 119.26 121.98 2x1t h ALA 203 Ca 0.22 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2x1t h ALA 203 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2x1t h ALA 203 CO -0.10 0.41 -0.61 0.78 0.00 0.00 0.00 179.25 179.72 2x1t h GLY 204 N 1.07 0.09 1.16 0.00 0.00 -0.79 -3.16 103.07 101.45 2x1t h GLY 204 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2x1t h GLY 204 CO -0.13 0.10 -0.90 0.83 0.00 0.00 0.00 176.54 176.45 2x1t h GLU 205 N 0.06 0.00 -6.64 4.80 4.39 -1.10 -3.42 114.58 112.67 2x1t h GLU 205 Ca -0.01 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.17 2x1t h GLU 205 Cb 1.10 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.79 2x1t h GLU 205 CO 0.09 0.05 0.86 -1.17 -1.16 0.00 0.00 179.01 177.67 2x1t s LEU 206 N -5.56 4.37 -0.15 1.33 2.96 -0.32 -4.83 118.68 116.48 2x1t s LEU 206 Ca 0.00 2.64 -0.24 0.00 -0.22 0.00 0.00 54.13 56.32 2x1t s LEU 206 Cb 0.09 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 2x1t s LEU 206 CO 0.77 -0.81 0.75 -0.13 -1.32 0.00 0.00 176.35 175.62 2x1t s ARG 207 N 0.82 4.31 -0.26 1.98 3.00 -1.26 -4.91 118.95 122.62 2x1t s ARG 207 Ca 0.68 0.89 -0.01 0.00 0.00 0.00 0.00 55.73 57.28 2x1t s ARG 207 Cb -0.44 -3.55 0.03 0.00 0.00 0.00 0.00 34.95 31.00 2x1t s ARG 207 CO 0.34 -0.22 -0.05 0.42 0.00 0.00 0.00 175.30 175.78 2x1t s ILE 208 N 1.80 2.84 0.01 1.52 1.01 -1.26 -1.31 121.20 125.80 2x1t s ILE 208 Ca 0.36 -1.14 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2x1t s ILE 208 Cb -0.17 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2x1t s ILE 208 CO 0.13 0.13 0.22 -0.76 0.00 0.00 0.00 174.94 174.66 2x1t s LEU 209 N 1.29 4.36 -0.10 2.97 1.43 0.13 -1.13 118.68 127.64 2x1t s LEU 209 Ca -0.01 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 2x1t s LEU 209 Cb -0.17 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2x1t s LEU 209 CO -0.04 0.24 0.57 -0.47 0.23 0.00 0.00 176.35 176.88 2x1t s TYR 210 N -1.35 3.54 -0.15 0.29 5.04 0.27 -0.61 117.35 124.37 2x1t s TYR 210 Ca 0.29 1.03 0.16 0.00 -2.44 0.00 0.00 57.07 56.11 2x1t s TYR 210 Cb -0.13 -2.65 0.32 0.00 0.35 0.00 0.00 41.96 39.85 2x1t s TYR 210 CO 0.19 0.13 1.17 0.41 -1.34 0.00 0.00 175.55 176.11 2x1t n GLY 211 N 3.21 4.73 3.93 8.97 0.00 0.42 -1.39 105.19 125.05 2x1t n GLY 211 Ca -0.05 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 2x1t n GLY 211 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x1t s GLY 212 N -2.90 1.65 -0.18 -0.02 0.00 -1.26 -4.64 107.32 99.98 2x1t s GLY 212 Ca 0.33 -0.83 -0.35 0.00 0.00 0.00 0.00 44.72 43.87 2x1t s GLY 212 CO -0.01 -0.49 1.96 1.44 0.00 0.00 0.00 173.10 176.01 2x1t n SER 213 N -2.74 3.05 -4.35 1.64 7.64 -1.26 -4.87 113.62 112.74 2x1t n SER 213 Ca 0.06 0.81 -0.27 0.00 1.01 0.00 0.00 58.87 60.48 2x1t n SER 213 Cb 0.59 -1.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.32 2x1t n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1t s VAL 214 N 5.04 2.06 0.00 0.44 1.01 -1.26 -5.03 120.40 122.67 2x1t s VAL 214 Ca 0.98 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2x1t s VAL 214 Cb -0.74 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2x1t s VAL 214 CO 0.52 0.07 0.00 -0.46 0.00 0.00 0.00 175.10 175.22 2x1t n ASN 215 N 1.06 0.50 0.06 3.32 2.04 -1.26 -4.95 115.26 116.03 2x1t n ASN 215 Ca -0.18 -0.89 -0.05 0.00 -0.44 0.00 0.00 54.58 53.02 2x1t n ASN 215 Cb 0.53 0.00 0.15 0.00 -2.53 0.00 0.00 39.78 37.93 2x1t n ASN 215 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 2x1t h GLY 216 N 0.00 0.35 2.00 4.83 0.00 -1.88 0.00 103.07 108.38 2x1t h GLY 216 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2x1t h GLY 216 CO 0.00 0.34 0.00 0.50 0.00 0.00 0.00 176.54 177.38 2x1t h LYS 217 N 0.26 0.00 0.00 4.80 1.57 -1.98 -3.34 116.57 117.88 2x1t h LYS 217 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2x1t h LYS 217 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2x1t h LYS 217 CO 0.08 0.00 -0.34 0.27 -0.57 0.00 0.00 179.45 178.90 2x1t n ASN 218 N -2.69 1.68 -0.10 0.86 0.23 -1.17 -4.82 115.26 109.25 2x1t n ASN 218 Ca -0.01 -0.05 -0.09 0.00 -0.53 0.00 0.00 54.58 53.90 2x1t n ASN 218 Cb 0.15 0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 38.27 2x1t n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x1t h ALA 219 N 0.00 0.42 -0.30 -2.53 0.00 -1.11 -1.60 119.26 114.15 2x1t h ALA 219 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x1t h ALA 219 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2x1t h ALA 219 CO 0.00 -0.07 0.14 -0.09 0.00 0.00 0.00 179.25 179.23 2x1t h ARG 220 N 0.42 0.29 -0.62 0.00 2.43 -1.81 0.28 114.38 115.37 2x1t h ARG 220 Ca 0.12 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2x1t h ARG 220 Cb 0.02 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2x1t h ARG 220 CO -0.02 0.19 0.22 1.15 -1.51 0.00 0.00 179.97 180.00 2x1t h THR 221 N 0.30 1.23 -0.32 0.20 2.02 -1.85 -1.78 112.91 112.71 2x1t h THR 221 Ca 0.12 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 2x1t h THR 221 Cb 0.05 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2x1t h THR 221 CO -0.09 0.29 -0.09 -0.07 0.37 0.00 0.00 175.52 175.93 2x1t h LEU 222 N 0.90 0.62 -2.03 2.58 3.38 -0.52 -2.99 115.31 117.26 2x1t h LEU 222 Ca 0.21 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2x1t h LEU 222 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2x1t h LEU 222 CO -0.01 0.85 -0.04 0.22 0.09 0.00 0.00 178.44 179.55 2x1t h TYR 223 N 0.39 0.00 0.00 1.13 3.20 0.09 -1.25 116.97 120.53 2x1t h TYR 223 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2x1t h TYR 223 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2x1t h TYR 223 CO 0.05 0.04 0.00 1.04 -1.64 0.00 0.00 178.16 177.65 2x1t n GLN 224 N -4.33 0.09 -2.22 1.82 3.00 -0.72 -4.73 117.38 110.30 2x1t n GLN 224 Ca -0.03 0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.72 2x1t n GLN 224 Cb 0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.84 2x1t n GLN 224 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2x1t s GLN 225 N -2.86 4.11 0.28 -1.09 -1.52 -0.47 -4.90 119.66 113.21 2x1t s GLN 225 Ca 0.12 1.97 0.02 0.00 -1.95 0.00 0.00 55.36 55.52 2x1t s GLN 225 Cb 0.13 -2.79 0.69 0.00 -0.22 0.00 0.00 33.01 30.82 2x1t s GLN 225 CO 0.33 -0.31 1.67 -0.09 -0.25 0.00 0.00 175.29 176.64 2x1t h ARG 226 N 2.83 0.29 -0.35 2.91 2.43 -1.89 -2.81 114.38 117.79 2x1t h ARG 226 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2x1t h ARG 226 Cb 1.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2x1t h ARG 226 CO 0.63 0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 179.03 2x1t n ASP 227 N -5.14 3.91 -4.63 -3.80 9.92 -1.26 -4.91 116.55 110.65 2x1t n ASP 227 Ca 0.21 -2.70 -0.36 0.00 -0.53 0.00 0.00 54.79 51.41 2x1t n ASP 227 Cb 0.64 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.54 2x1t n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x1t s VAL 228 N -2.26 5.20 -0.26 2.53 1.01 -1.06 -4.63 120.40 120.92 2x1t s VAL 228 Ca 0.40 0.12 0.12 0.00 0.00 0.00 0.00 61.98 62.62 2x1t s VAL 228 Cb 0.29 -3.42 0.28 0.00 0.00 0.00 0.00 36.38 33.53 2x1t s VAL 228 CO 0.13 0.34 1.20 0.59 0.00 0.00 0.00 175.10 177.36 2x1t n ASN 229 N 4.37 2.75 0.00 3.32 4.13 -0.29 -4.83 115.26 124.72 2x1t n ASN 229 Ca -0.15 -2.59 0.00 0.00 1.68 0.00 0.00 54.58 53.52 2x1t n ASN 229 Cb 0.52 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 2x1t n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1t n GLY 230 N -0.60 0.75 2.96 7.41 0.00 -1.26 -1.84 105.19 112.62 2x1t n GLY 230 Ca 0.12 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 2x1t n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1t s PHE 231 N -3.19 0.21 -0.25 1.61 0.08 -0.52 -0.57 117.98 115.35 2x1t s PHE 231 Ca 0.00 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 2x1t s PHE 231 Cb 0.00 -0.15 0.03 0.00 -0.57 0.00 0.00 43.02 42.33 2x1t s PHE 231 CO 0.00 -0.15 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.72 2x1t s LEU 232 N -1.18 3.23 0.26 -0.37 2.96 -0.49 -0.76 118.68 122.34 2x1t s LEU 232 Ca -0.13 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 52.79 2x1t s LEU 232 Cb -0.08 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 2x1t s LEU 232 CO -0.01 -0.14 0.10 0.00 -1.32 0.00 0.00 176.35 174.98 2x1t s ALA 233 N 1.27 1.77 0.49 5.97 0.00 0.47 -4.24 121.76 127.50 2x1t s ALA 233 Ca -0.02 -1.86 -0.22 0.00 0.00 0.00 0.00 51.96 49.86 2x1t s ALA 233 Cb -0.17 1.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.93 2x1t s ALA 233 CO -0.05 -0.46 1.24 0.20 0.00 0.00 0.00 175.76 176.69 2x1t s GLY 234 N -3.33 2.82 -0.85 0.00 0.00 -1.26 0.09 107.32 104.79 2x1t s GLY 234 Ca 0.38 1.09 -0.25 0.00 0.00 0.00 0.00 44.72 45.93 2x1t s GLY 234 CO 0.14 1.56 1.33 -2.27 0.00 0.00 0.00 173.10 173.87 2x1t s LEU 238 N -3.24 3.37 0.25 0.66 2.96 -1.18 -4.61 118.68 116.90 2x1t s LEU 238 Ca 0.67 -0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 2x1t s LEU 238 Cb -0.33 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.81 2x1t s LEU 238 CO 0.39 -1.68 0.55 -1.59 -1.32 0.00 0.00 176.35 172.71 2x1t s LYS 239 N 5.32 1.60 0.32 1.98 -2.85 -1.26 -4.96 119.74 119.89 2x1t s LYS 239 Ca 0.39 -1.14 0.05 0.00 -1.00 0.00 0.00 55.97 54.27 2x1t s LYS 239 Cb -0.05 0.52 0.70 0.00 -2.06 0.00 0.00 37.83 36.93 2x1t s LYS 239 CO 0.04 -0.69 1.86 -1.35 0.10 0.00 0.00 175.35 175.31 2x1t h PRO 240 N 2.18 0.81 0.00 1.78 0.11 -1.97 -0.42 132.00 134.49 2x1t h PRO 240 Ca -0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2x1t h PRO 240 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2x1t h PRO 240 CO 0.32 0.53 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 2x1t n GLU 241 N -4.58 0.05 -0.07 1.05 4.71 -1.26 -2.18 120.64 118.36 2x1t n GLU 241 Ca 0.18 0.34 0.19 0.00 -0.01 0.00 0.00 57.16 57.86 2x1t n GLU 241 Cb 0.40 -1.61 0.62 0.00 -1.01 0.00 0.00 31.44 29.85 2x1t n GLU 241 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2x1t h PHE 242 N 0.00 0.18 -0.64 -0.32 3.57 -1.33 0.33 116.94 118.74 2x1t h PHE 242 Ca 0.00 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2x1t h PHE 242 Cb 0.23 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 2x1t h PHE 242 CO 0.00 0.07 0.22 0.28 -2.23 0.00 0.00 178.31 176.65 2x1t h VAL 243 N 0.16 0.72 0.00 1.41 2.07 -1.64 -0.12 116.25 118.84 2x1t h VAL 243 Ca 0.31 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.59 2x1t h VAL 243 Cb 1.00 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2x1t h VAL 243 CO -0.05 0.07 -0.53 0.44 0.02 0.00 0.00 177.57 177.52 2x1t h ASP 244 N 0.38 0.00 -0.28 0.57 3.32 -1.17 -2.25 116.42 116.99 2x1t h ASP 244 Ca 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 2x1t h ASP 244 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2x1t h ASP 244 CO -0.35 0.53 -0.07 0.40 -1.72 0.00 0.00 179.24 178.03 2x1t h ILE 245 N 0.00 1.28 -0.57 0.35 2.04 -0.84 -1.41 117.51 118.37 2x1t h ILE 245 Ca -0.01 -1.10 0.08 0.00 1.00 0.00 0.00 64.86 64.84 2x1t h ILE 245 Cb 1.08 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 2x1t h ILE 245 CO 0.07 0.35 0.20 0.40 0.00 0.00 0.00 178.15 179.17 2x1t h ILE 246 N 0.30 0.79 -0.78 -0.67 2.04 -0.91 -1.83 117.51 116.45 2x1t h ILE 246 Ca 0.07 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.90 2x1t h ILE 246 Cb 0.55 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2x1t h ILE 246 CO 0.03 0.07 0.51 0.11 0.00 0.00 0.00 178.15 178.87 2x1t h LYS 247 N 0.38 0.67 0.00 2.37 1.57 -1.10 -1.87 116.57 118.58 2x1t h LYS 247 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2x1t h LYS 247 Cb 0.33 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2x1t h LYS 247 CO -0.29 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 2x1t n ALA 248 N -2.45 1.71 -0.36 3.86 0.00 -0.56 -2.53 120.51 120.17 2x1t n ALA 248 Ca 0.13 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.59 2x1t n ALA 248 Cb 0.34 -1.21 0.31 0.00 0.00 0.00 0.00 19.45 18.89 2x1t n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1t n THR 249 N -1.36 1.82 1.46 0.00 -2.24 -0.70 -4.60 114.28 108.66 2x1t n THR 249 Ca 0.05 -1.05 0.12 0.00 -2.27 0.00 0.00 64.05 60.90 2x1t n THR 249 Cb 0.12 -0.09 0.69 0.00 -2.10 0.00 0.00 70.33 68.95 2x1t n THR 249 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17