#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1s n LYS 3 N 0.00 1.59 -0.90 4.33 5.02 -1.26 -5.02 118.16 121.91 2x1s n LYS 3 Ca 0.00 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.58 2x1s n LYS 3 Cb 0.00 -2.56 0.23 0.00 -0.02 0.00 0.00 35.03 32.69 2x1s n LYS 3 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x1s s PRO 4 N -2.95 -1.05 0.06 1.97 0.04 -1.26 -4.90 135.00 126.91 2x1s s PRO 4 Ca 0.73 0.26 -0.34 0.00 0.04 0.00 0.00 61.00 61.69 2x1s s PRO 4 Cb -0.41 -1.59 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 2x1s s PRO 4 CO 0.48 -3.66 1.66 0.94 0.04 0.00 0.00 177.00 176.46 2x1s n GLN 5 N -4.78 2.06 -1.38 4.56 7.27 -1.26 -4.95 117.38 118.90 2x1s n GLN 5 Ca 0.09 0.75 -0.30 0.00 0.07 0.00 0.00 57.00 57.60 2x1s n GLN 5 Cb 0.58 -2.53 0.10 0.00 2.41 0.00 0.00 30.24 30.80 2x1s n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1s s PRO 6 N 1.98 2.02 -0.01 3.69 0.04 -1.26 -4.87 135.00 136.59 2x1s s PRO 6 Ca 0.84 0.88 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2x1s s PRO 6 Cb -0.71 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2x1s s PRO 6 CO 0.44 -1.73 -0.16 0.42 0.04 0.00 0.00 177.00 176.01 2x1s s ILE 7 N -3.01 1.24 -0.18 0.56 1.01 -0.59 -1.30 121.20 118.94 2x1s s ILE 7 Ca 0.61 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2x1s s ILE 7 Cb -0.16 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.31 2x1s s ILE 7 CO 0.56 0.34 -0.12 0.00 0.00 0.00 0.00 174.94 175.71 2x1s s ALA 8 N -0.39 1.95 -0.05 9.38 0.00 -0.43 -1.49 121.76 130.74 2x1s s ALA 8 Ca 0.06 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 51.01 2x1s s ALA 8 Cb -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 2x1s s ALA 8 CO -0.01 -0.61 -0.25 0.00 0.00 0.00 0.00 175.76 174.90 2x1s s ALA 9 N 1.43 2.13 -0.15 0.00 0.00 0.05 -1.01 121.76 124.21 2x1s s ALA 9 Ca 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2x1s s ALA 9 Cb -0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2x1s s ALA 9 CO -0.09 0.44 -0.04 0.00 0.00 0.00 0.00 175.76 176.07 2x1s s ALA 10 N -0.28 3.02 -0.30 0.00 0.00 0.35 -1.00 121.76 123.55 2x1s s ALA 10 Ca 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2x1s s ALA 10 Cb -0.13 -1.53 0.46 0.00 0.00 0.00 0.00 23.12 21.92 2x1s s ALA 10 CO 0.02 0.26 1.21 -1.71 0.00 0.00 0.00 175.76 175.55 2x1s n ASN 11 N 3.36 4.81 -0.38 0.00 5.15 0.13 -0.39 115.26 127.94 2x1s n ASN 11 Ca -0.17 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.05 2x1s n ASN 11 Cb 0.53 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 2x1s n ASN 11 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2x1s n SER 20 N -0.74 0.00 0.19 1.20 3.41 -1.26 -3.63 113.62 112.79 2x1s n SER 20 Ca 0.43 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 2x1s n SER 20 Cb 0.95 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 64.73 2x1s n SER 20 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2x1s h LEU 21 N 0.00 0.00 -0.01 1.04 5.85 -1.99 -1.87 115.31 118.33 2x1s h LEU 21 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 2x1s h LEU 21 Cb 0.00 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.05 2x1s h LEU 21 CO 0.00 0.33 -1.03 -1.28 -0.34 0.00 0.00 178.44 176.12 2x1s h SER 22 N 0.00 0.92 -0.02 1.25 0.87 -2.02 0.30 113.55 114.85 2x1s h SER 22 Ca -0.00 -0.73 -0.10 0.00 -1.23 0.00 0.00 61.79 59.72 2x1s h SER 22 Cb 1.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2x1s h SER 22 CO 0.04 1.53 -0.28 -0.33 -0.53 0.00 0.00 176.83 177.27 2x1s h GLU 23 N 0.40 0.46 -0.19 2.24 5.08 -1.99 -1.28 114.58 119.30 2x1s h GLU 23 Ca -0.13 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2x1s h GLU 23 Cb 1.69 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 2x1s h GLU 23 CO 0.20 0.70 -0.06 1.25 -1.00 0.00 0.00 179.01 180.10 2x1s h LEU 24 N 0.40 0.39 -1.08 1.33 5.85 -1.20 -1.25 115.31 119.75 2x1s h LEU 24 Ca 0.06 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.40 2x1s h LEU 24 Cb 0.70 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2x1s h LEU 24 CO 0.05 0.69 0.59 0.40 -0.34 0.00 0.00 178.44 179.83 2x1s h ILE 25 N 0.09 1.24 -0.54 4.05 2.04 -0.85 -1.73 117.51 121.81 2x1s h ILE 25 Ca 0.05 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2x1s h ILE 25 Cb 0.52 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2x1s h ILE 25 CO 0.02 0.23 0.24 0.44 0.00 0.00 0.00 178.15 179.09 2x1s h ASP 26 N 1.24 0.31 -0.44 1.72 3.32 -1.02 -0.70 116.42 120.85 2x1s h ASP 26 Ca 0.33 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 2x1s h ASP 26 Cb -0.13 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2x1s h ASP 26 CO -0.07 0.21 0.15 0.25 -1.72 0.00 0.00 179.24 178.06 2x1s h LEU 27 N 0.46 0.62 -0.32 1.55 5.85 -0.56 -2.60 115.31 120.31 2x1s h LEU 27 Ca 0.25 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2x1s h LEU 27 Cb 0.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2x1s h LEU 27 CO -0.21 0.65 0.11 -0.26 -0.34 0.00 0.00 178.44 178.39 2x1s h PHE 28 N 0.56 0.50 -0.48 1.25 0.04 -1.13 -2.79 116.94 114.90 2x1s h PHE 28 Ca 0.14 -0.05 0.12 0.00 2.80 0.00 0.00 57.97 60.99 2x1s h PHE 28 Cb 0.24 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 2x1s h PHE 28 CO 0.01 0.50 0.34 -0.91 -0.60 0.00 0.00 178.31 177.64 2x1s h ASN 29 N 0.36 0.08 0.00 2.17 2.35 -0.93 -1.42 115.58 118.19 2x1s h ASN 29 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2x1s h ASN 29 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2x1s h ASN 29 CO -0.01 0.05 -0.03 -1.54 -1.65 0.00 0.00 177.43 174.24 2x1s n SER 30 N -4.42 1.83 -4.67 5.81 3.41 -1.00 -4.83 113.62 109.75 2x1s n SER 30 Ca 0.08 -1.57 -0.40 0.00 -0.26 0.00 0.00 58.87 56.72 2x1s n SER 30 Cb 0.49 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2x1s n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1s s THR 31 N -2.05 5.00 -0.15 6.66 2.01 -0.54 -5.04 115.64 121.53 2x1s s THR 31 Ca 0.34 1.31 -0.25 0.00 0.31 0.00 0.00 61.69 63.40 2x1s s THR 31 Cb 0.21 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2x1s s THR 31 CO 0.35 0.12 0.83 -0.44 -0.69 0.00 0.00 174.62 174.78 2x1s s SER 32 N 1.12 6.98 -0.29 3.53 0.01 -1.26 -5.03 113.70 118.76 2x1s s SER 32 Ca 0.32 1.20 -0.06 0.00 1.31 0.00 0.00 55.95 58.72 2x1s s SER 32 Cb -0.16 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2x1s s SER 32 CO 0.12 -0.37 0.05 -0.63 0.41 0.00 0.00 173.24 172.82 2x1s s ILE 33 N 2.00 3.70 -0.47 1.44 1.01 -1.26 -5.00 121.20 122.61 2x1s s ILE 33 Ca 0.39 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2x1s s ILE 33 Cb -0.17 -2.92 0.64 0.00 0.01 0.00 0.00 42.46 40.02 2x1s s ILE 33 CO 0.13 0.08 1.93 0.59 0.00 0.00 0.00 174.94 177.67 2x1s n ASN 34 N 4.81 4.19 -3.50 3.58 3.02 -1.26 -4.91 115.26 121.19 2x1s n ASN 34 Ca -0.15 -3.63 -0.11 0.00 -0.03 0.00 0.00 54.58 50.66 2x1s n ASN 34 Cb 0.47 -0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 2x1s n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x1s s HIS 35 N -3.36 0.55 -0.40 3.10 -3.43 -1.26 -5.12 115.29 105.37 2x1s s HIS 35 Ca 0.58 -0.93 -0.27 0.00 -0.80 0.00 0.00 55.06 53.63 2x1s s HIS 35 Cb 0.48 0.24 0.02 0.00 -1.43 0.00 0.00 32.58 31.90 2x1s s HIS 35 CO 0.10 -1.17 1.02 0.34 -2.00 0.00 0.00 174.74 173.03 2x1s s ASP 36 N -3.11 6.70 -0.20 7.38 2.15 -1.26 -4.98 116.67 123.35 2x1s s ASP 36 Ca 0.24 0.59 -0.17 0.00 0.43 0.00 0.00 52.55 53.63 2x1s s ASP 36 Cb -0.02 -2.51 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 2x1s s ASP 36 CO 0.14 -1.01 0.52 0.54 -0.17 0.00 0.00 175.17 175.18 2x1s s VAL 37 N 3.85 -0.00 -0.30 1.11 0.11 -1.26 -4.23 120.40 119.68 2x1s s VAL 37 Ca 0.43 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.30 2x1s s VAL 37 Cb -0.10 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2x1s s VAL 37 CO 0.23 0.00 0.56 -1.58 -3.33 0.00 0.00 175.10 170.98 2x1s s GLN 38 N 0.46 3.90 -0.04 1.54 2.00 -0.42 -4.92 119.66 122.18 2x1s s GLN 38 Ca -0.01 0.20 -0.04 0.00 -2.00 0.00 0.00 55.36 53.51 2x1s s GLN 38 Cb -0.04 -3.72 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 2x1s s GLN 38 CO -0.02 -0.50 0.16 0.00 -0.50 0.00 0.00 175.29 174.44 2x1s s VAL 40 N -1.23 0.41 -0.26 0.00 1.01 -0.18 -0.66 120.40 119.49 2x1s s VAL 40 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2x1s s VAL 40 Cb -0.12 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.88 2x1s s VAL 40 CO 0.14 0.16 -0.07 -0.69 0.00 0.00 0.00 175.10 174.65 2x1s s VAL 41 N 0.51 2.68 -0.09 2.92 1.01 -0.44 -0.49 120.40 126.50 2x1s s VAL 41 Ca -0.06 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.61 2x1s s VAL 41 Cb -0.09 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2x1s s VAL 41 CO -0.00 0.09 0.15 0.00 0.00 0.00 0.00 175.10 175.33 2x1s s ALA 42 N 1.25 3.89 0.17 5.51 0.00 0.48 -1.00 121.76 132.06 2x1s s ALA 42 Ca -0.03 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 2x1s s ALA 42 Cb -0.18 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.03 2x1s s ALA 42 CO -0.04 0.65 0.47 -1.54 0.00 0.00 0.00 175.76 175.30 2x1s s SER 43 N -1.27 -0.23 0.60 0.00 1.04 -0.96 -4.46 113.70 108.42 2x1s s SER 43 Ca 0.18 -0.46 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 2x1s s SER 43 Cb -0.12 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2x1s s SER 43 CO 0.08 -0.98 1.14 0.28 0.98 0.00 0.00 173.24 174.74 2x1s s THR 44 N -3.86 3.05 0.23 2.02 -1.32 -1.26 -3.86 115.64 110.64 2x1s s THR 44 Ca 0.08 0.59 -0.05 0.00 -1.21 0.00 0.00 61.69 61.10 2x1s s THR 44 Cb 0.00 -3.17 0.37 0.00 -1.51 0.00 0.00 72.50 68.19 2x1s s THR 44 CO -0.06 -0.21 1.26 0.33 -2.21 0.00 0.00 174.62 173.74 2x1s n PHE 45 N -1.81 0.33 0.30 9.09 7.35 -1.26 -0.88 117.46 130.58 2x1s n PHE 45 Ca 0.12 0.98 0.17 0.00 -0.76 0.00 0.00 57.45 57.96 2x1s n PHE 45 Cb 0.51 -0.99 0.99 0.00 0.35 0.00 0.00 39.48 40.34 2x1s n PHE 45 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 2x1s h VAL 46 N 0.00 0.37 0.00 -2.13 3.04 -2.04 -2.46 116.25 113.04 2x1s h VAL 46 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 2x1s h VAL 46 Cb 0.66 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2x1s h VAL 46 CO -0.82 0.00 -0.99 1.41 -1.01 0.00 0.00 177.57 176.17 2x1s n HIS 47 N -3.62 0.00 -0.03 3.17 8.25 -0.06 -4.60 115.22 118.33 2x1s n HIS 47 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 2x1s n HIS 47 Cb 0.10 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 2x1s n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x1s h LEU 48 N 0.00 -0.74 -0.73 2.41 3.38 -1.31 -1.06 115.31 117.26 2x1s h LEU 48 Ca 0.00 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2x1s h LEU 48 Cb 0.48 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2x1s h LEU 48 CO 0.00 -0.27 0.36 0.00 0.09 0.00 0.00 178.44 178.62 2x1s h ALA 49 N 0.75 1.02 -0.16 1.53 0.00 -1.81 0.60 119.26 121.19 2x1s h ALA 49 Ca 0.12 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2x1s h ALA 49 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2x1s h ALA 49 CO -0.35 -0.06 -0.33 0.00 0.00 0.00 0.00 179.25 178.52 2x1s h MET 50 N 0.60 0.51 -0.70 0.00 -0.00 -1.79 -1.82 114.93 111.73 2x1s h MET 50 Ca 0.37 -0.33 0.05 0.00 -0.00 0.00 0.00 59.70 59.79 2x1s h MET 50 Cb 0.41 0.04 -0.05 0.00 -0.00 0.00 0.00 31.60 32.00 2x1s h MET 50 CO -0.29 0.94 0.41 1.15 -0.00 0.00 0.00 176.91 179.12 2x1s h THR 51 N 0.15 1.00 -0.14 -0.10 2.02 -0.43 0.17 112.91 115.58 2x1s h THR 51 Ca 0.01 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 2x1s h THR 51 Cb 0.92 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2x1s h THR 51 CO 0.07 0.14 -0.48 0.50 0.37 0.00 0.00 175.52 176.12 2x1s h LYS 52 N 0.76 0.36 0.00 6.66 3.64 -0.91 0.17 116.57 127.25 2x1s h LYS 52 Ca 0.31 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2x1s h LYS 52 Cb 0.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2x1s h LYS 52 CO -0.17 0.76 -0.48 0.93 -2.27 0.00 0.00 179.45 178.23 2x1s h GLU 53 N 0.29 0.00 0.00 1.90 5.08 -0.48 -3.37 114.58 118.00 2x1s h GLU 53 Ca 0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.11 2x1s h GLU 53 Cb 0.96 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 2x1s h GLU 53 CO 0.08 0.48 -2.02 0.54 -1.00 0.00 0.00 179.01 177.09 2x1s n ARG 54 N -3.97 0.80 -2.76 2.33 5.12 -0.03 -4.92 116.66 113.23 2x1s n ARG 54 Ca -0.02 0.07 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 2x1s n ARG 54 Cb 0.50 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.40 2x1s n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x1s s LEU 55 N -5.78 3.94 0.00 0.55 2.96 0.57 -4.87 118.68 116.05 2x1s s LEU 55 Ca -0.20 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2x1s s LEU 55 Cb 0.06 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.43 2x1s s LEU 55 CO 0.47 -0.95 0.43 -1.54 -1.32 0.00 0.00 176.35 173.43 2x1s n SER 56 N 7.00 0.85 -4.68 3.68 3.41 -1.26 -4.83 113.62 117.79 2x1s n SER 56 Ca 0.08 -0.93 -0.42 0.00 -0.26 0.00 0.00 58.87 57.34 2x1s n SER 56 Cb 0.48 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 2x1s n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2x1s s HIS 57 N -0.15 2.31 -0.64 7.33 5.04 -1.26 -4.87 115.29 123.05 2x1s s HIS 57 Ca 0.00 0.28 0.24 0.00 -1.54 0.00 0.00 55.06 54.04 2x1s s HIS 57 Cb 0.00 -3.96 0.91 0.00 0.04 0.00 0.00 32.58 29.57 2x1s s HIS 57 CO 0.00 -3.88 1.73 -0.35 -2.34 0.00 0.00 174.74 169.90 2x1s n PRO 58 N 5.93 0.19 0.00 2.88 -0.04 -1.26 -1.36 135.00 141.34 2x1s n PRO 58 Ca 0.16 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 64.08 2x1s n PRO 58 Cb 0.41 -1.80 0.68 0.00 -0.04 0.00 0.00 33.50 32.76 2x1s n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x1s n LYS 59 N -2.14 1.35 -4.24 0.54 5.02 -1.26 -4.83 118.16 112.60 2x1s n LYS 59 Ca 0.04 -0.56 -0.35 0.00 -2.02 0.00 0.00 58.31 55.42 2x1s n LYS 59 Cb 0.30 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 2x1s n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1s s PHE 60 N -2.03 3.24 0.19 2.13 0.40 -0.47 -0.68 117.98 120.77 2x1s s PHE 60 Ca 0.41 0.24 0.10 0.00 -0.60 0.00 0.00 56.93 57.08 2x1s s PHE 60 Cb 0.21 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 2x1s s PHE 60 CO 0.36 0.52 -0.20 0.14 0.70 0.00 0.00 175.22 176.74 2x1s s VAL 61 N -0.98 2.08 0.15 -0.44 -7.23 0.17 -4.86 120.40 109.28 2x1s s VAL 61 Ca 0.16 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 58.18 2x1s s VAL 61 Cb -0.12 -2.02 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 2x1s s VAL 61 CO 0.05 -0.29 0.47 -0.63 -0.31 0.00 0.00 175.10 174.40 2x1s s ILE 62 N -2.07 5.01 0.00 -0.62 1.09 -1.26 -1.32 121.20 122.02 2x1s s ILE 62 Ca 0.20 0.47 0.04 0.00 -1.10 0.00 0.00 60.65 60.27 2x1s s ILE 62 Cb -0.06 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 2x1s s ILE 62 CO 0.09 0.13 -0.14 0.00 -0.10 0.00 0.00 174.94 174.92 2x1s s ALA 63 N -1.58 1.16 0.90 9.38 0.00 -0.17 -3.88 121.76 127.57 2x1s s ALA 63 Ca 0.40 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2x1s s ALA 63 Cb -0.13 -0.27 0.18 0.00 0.00 0.00 0.00 23.12 22.90 2x1s s ALA 63 CO 0.20 0.27 1.24 0.00 0.00 0.00 0.00 175.76 177.47 2x1s s ALA 64 N -0.45 2.60 -0.02 0.00 0.00 -0.68 -2.25 121.76 120.95 2x1s s ALA 64 Ca 0.05 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.69 2x1s s ALA 64 Cb -0.06 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.49 2x1s s ALA 64 CO -0.00 -2.19 -0.01 -0.65 0.00 0.00 0.00 175.76 172.91 2x1s s GLN 65 N -5.70 0.37 0.00 0.00 -0.21 -1.25 -0.90 119.66 111.97 2x1s s GLN 65 Ca 0.72 0.00 0.00 0.00 0.02 0.00 0.00 55.36 56.10 2x1s s GLN 65 Cb -0.04 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.49 2x1s s GLN 65 CO 0.51 -0.08 0.00 0.09 -2.12 0.00 0.00 175.29 173.69 2x1s n ASN 66 N 3.84 -0.94 -4.75 5.90 5.03 -0.39 -4.89 115.26 119.05 2x1s n ASN 66 Ca -0.23 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.80 2x1s n ASN 66 Cb 0.52 -1.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.27 2x1s n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x1s s ALA 67 N -2.68 3.76 -0.02 5.41 0.00 -1.26 -4.89 121.76 122.07 2x1s s ALA 67 Ca 0.00 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.55 2x1s s ALA 67 Cb 0.00 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 19.53 2x1s s ALA 67 CO 0.00 -0.96 0.97 0.41 0.00 0.00 0.00 175.76 176.18 2x1s n GLY 68 N 2.39 0.98 3.15 0.00 0.00 -1.26 -4.95 105.19 105.50 2x1s n GLY 68 Ca 0.09 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2x1s n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1s s ASN 69 N -1.23 2.69 0.24 1.61 3.84 -1.26 -5.00 114.94 115.83 2x1s s ASN 69 Ca 0.06 -0.48 -0.06 0.00 0.21 0.00 0.00 52.86 52.58 2x1s s ASN 69 Cb 0.05 -1.23 0.42 0.00 -0.55 0.00 0.00 41.25 39.94 2x1s s ASN 69 CO 0.01 0.11 1.67 0.00 -2.79 0.00 0.00 177.10 176.10 2x1s h ALA 70 N 6.86 0.86 -0.18 1.71 0.00 -1.99 -0.28 119.26 126.24 2x1s h ALA 70 Ca -0.24 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2x1s h ALA 70 Cb 1.22 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2x1s h ALA 70 CO 0.48 -0.36 -0.51 -0.44 0.00 0.00 0.00 179.25 178.41 2x1s h ASP 71 N 0.21 0.56 -0.41 0.00 3.32 -1.99 -1.91 116.42 116.20 2x1s h ASP 71 Ca 0.40 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2x1s h ASP 71 Cb 0.67 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2x1s h ASP 71 CO -0.53 0.97 0.12 0.00 -1.72 0.00 0.00 179.24 178.07 2x1s h ALA 72 N 1.04 0.54 -0.35 3.45 0.00 -1.68 -0.50 119.26 121.76 2x1s h ALA 72 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2x1s h ALA 72 Cb 1.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2x1s h ALA 72 CO 0.09 0.20 0.16 -0.07 0.00 0.00 0.00 179.25 179.63 2x1s h LEU 80 N 0.52 0.46 -0.82 0.00 3.38 -1.03 -1.18 115.31 116.64 2x1s h LEU 80 Ca 0.13 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2x1s h LEU 80 Cb 0.28 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2x1s h LEU 80 CO -0.00 0.47 0.49 0.00 0.09 0.00 0.00 178.44 179.49 2x1s h ALA 81 N 1.01 1.15 -0.33 1.53 0.00 -1.23 -0.95 119.26 120.44 2x1s h ALA 81 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2x1s h ALA 81 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2x1s h ALA 81 CO -0.01 0.18 0.03 1.03 0.00 0.00 0.00 179.25 180.47 2x1s h SER 82 N 0.86 0.54 -0.24 0.00 0.87 -0.73 -1.97 113.55 112.89 2x1s h SER 82 Ca 0.38 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2x1s h SER 82 Cb 0.26 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2x1s h SER 82 CO -0.21 0.68 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.61 2x1s h LEU 83 N 0.38 -0.35 -0.84 2.23 3.38 -0.77 -1.25 115.31 118.09 2x1s h LEU 83 Ca 0.10 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2x1s h LEU 83 Cb 0.39 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2x1s h LEU 83 CO 0.01 -0.13 0.53 0.11 0.09 0.00 0.00 178.44 179.04 2x1s h LYS 84 N -0.07 0.96 -0.62 1.13 1.79 -1.09 -1.11 116.57 117.56 2x1s h LYS 84 Ca 0.13 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2x1s h LYS 84 Cb 0.26 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 2x1s h LYS 84 CO -0.29 0.64 0.28 0.22 -1.08 0.00 0.00 179.45 179.22 2x1s h ASP 85 N 0.99 0.80 0.41 0.86 1.82 -0.82 -0.63 116.42 119.87 2x1s h ASP 85 Ca 0.35 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2x1s h ASP 85 Cb 0.09 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2x1s h ASP 85 CO -0.14 0.70 0.00 0.33 -1.61 0.00 0.00 179.24 178.51 2x1s n PHE 86 N -4.34 0.00 -0.14 0.28 7.35 -0.52 -4.88 117.46 115.22 2x1s n PHE 86 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 2x1s n PHE 86 Cb 0.14 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 39.72 2x1s n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1s n GLY 87 N 0.83 0.93 3.61 7.13 0.00 -0.24 -5.07 105.19 112.38 2x1s n GLY 87 Ca 0.13 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2x1s n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1s s VAL 88 N -2.00 5.06 -0.61 1.61 1.01 -0.50 -4.94 120.40 120.03 2x1s s VAL 88 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.88 2x1s s VAL 88 Cb 0.00 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2x1s s VAL 88 CO 0.00 0.05 0.66 0.59 0.00 0.00 0.00 175.10 176.40 2x1s n ASN 89 N 5.58 1.41 -4.44 3.32 4.13 -1.26 -3.63 115.26 120.37 2x1s n ASN 89 Ca -0.04 -1.21 -0.25 0.00 1.68 0.00 0.00 54.58 54.76 2x1s n ASN 89 Cb 0.50 -0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.63 2x1s n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2x1s s TRP 90 N -0.41 2.26 -0.19 3.10 0.52 -1.25 -0.48 118.94 122.48 2x1s s TRP 90 Ca 0.06 -0.36 -0.24 0.00 0.02 0.00 0.00 56.10 55.58 2x1s s TRP 90 Cb 0.04 -1.05 0.06 0.00 -1.15 0.00 0.00 33.47 31.37 2x1s s TRP 90 CO 0.06 0.59 0.65 -1.50 0.02 0.00 0.00 176.95 176.77 2x1s s ILE 91 N -2.11 0.00 -0.16 2.03 2.07 -0.71 -1.69 121.20 120.62 2x1s s ILE 91 Ca 0.25 -0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.40 2x1s s ILE 91 Cb -0.06 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 2x1s s ILE 91 CO 0.12 -0.01 0.08 -0.69 -1.91 0.00 0.00 174.94 172.52 2x1s s VAL 92 N -0.08 4.93 0.03 4.00 1.01 -0.07 -1.44 120.40 128.77 2x1s s VAL 92 Ca -0.03 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2x1s s VAL 92 Cb -0.04 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2x1s s VAL 92 CO 0.03 0.50 -0.09 -0.76 0.00 0.00 0.00 175.10 174.78 2x1s s LEU 93 N 0.01 2.16 -0.03 3.92 1.43 -0.56 -1.27 118.68 124.34 2x1s s LEU 93 Ca 0.07 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2x1s s LEU 93 Cb -0.12 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.76 2x1s s LEU 93 CO 0.01 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.14 2x1s n GLY 94 N 2.00 0.45 3.60 -3.19 0.00 -1.26 -1.31 105.19 105.49 2x1s n GLY 94 Ca -0.19 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2x1s n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1s n HIS 95 N -2.98 0.47 -0.33 1.61 -0.00 -1.26 -4.50 115.22 108.24 2x1s n HIS 95 Ca -0.00 0.38 -0.09 0.00 0.46 0.00 0.00 57.72 58.47 2x1s n HIS 95 Cb 0.02 -2.05 -0.08 0.00 -0.12 0.00 0.00 29.99 27.76 2x1s n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x1s n SER 96 N -1.84 -0.82 0.30 0.26 3.41 -1.26 -0.40 113.62 113.27 2x1s n SER 96 Ca 0.12 1.54 0.17 0.00 -0.26 0.00 0.00 58.87 60.45 2x1s n SER 96 Cb 0.50 -0.26 0.93 0.00 -0.26 0.00 0.00 64.21 65.12 2x1s n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x1s h GLU 97 N 0.00 0.00 -0.98 4.33 9.09 -1.97 0.07 114.58 125.12 2x1s h GLU 97 Ca 0.12 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.61 2x1s h GLU 97 Cb 0.32 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.35 2x1s h GLU 97 CO -0.73 0.04 0.63 0.00 0.05 0.00 0.00 179.01 179.00 2x1s h ARG 98 N 0.00 1.09 0.00 1.06 2.47 -1.04 -0.56 114.38 117.40 2x1s h ARG 98 Ca -0.00 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.56 2x1s h ARG 98 Cb 0.16 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 2x1s h ARG 98 CO 0.00 0.72 -0.55 0.00 0.56 0.00 0.00 179.97 180.70 2x1s h ARG 99 N 1.12 0.00 0.00 0.04 3.08 -1.02 0.03 114.38 117.63 2x1s h ARG 99 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2x1s h ARG 99 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2x1s h ARG 99 CO -0.18 0.92 -0.28 0.11 -1.07 0.00 0.00 179.97 179.47 2x1s h TRP 100 N -1.00 0.00 0.00 3.04 5.08 -1.43 -3.26 115.95 118.38 2x1s h TRP 100 Ca -0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.82 2x1s h TRP 100 Cb 1.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2x1s h TRP 100 CO 0.17 0.00 -0.32 0.98 -1.28 0.00 0.00 178.44 177.99 2x1s n TYR 101 N -2.56 0.00 0.21 0.12 9.36 -0.30 -4.80 117.16 119.19 2x1s n TYR 101 Ca 0.04 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.33 2x1s n TYR 101 Cb 0.48 -0.16 0.42 0.00 -0.63 0.00 0.00 39.34 39.45 2x1s n TYR 101 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x1s h TYR 102 N -0.32 0.00 0.00 2.98 0.05 -1.37 -3.48 116.97 114.83 2x1s h TYR 102 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2x1s h TYR 102 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2x1s h TYR 102 CO -0.14 0.30 0.00 0.41 -1.05 0.00 0.00 178.16 177.68 2x1s n GLY 103 N 0.07 0.83 3.67 3.88 0.00 -0.65 -5.01 105.19 107.98 2x1s n GLY 103 Ca -0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2x1s n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1s s GLU 104 N -0.57 4.24 0.84 1.61 2.02 -0.10 -4.99 118.70 121.75 2x1s s GLU 104 Ca 0.00 1.96 -0.12 0.00 0.02 0.00 0.00 54.97 56.83 2x1s s GLU 104 Cb 0.00 -3.74 0.12 0.00 0.10 0.00 0.00 34.13 30.61 2x1s s GLU 104 CO 0.00 -0.69 1.19 0.95 0.02 0.00 0.00 175.26 176.73 2x1s s THR 105 N 3.15 2.06 0.38 3.63 -4.23 -1.26 -4.29 115.64 115.07 2x1s s THR 105 Ca 0.64 -0.09 0.12 0.00 -1.18 0.00 0.00 61.69 61.18 2x1s s THR 105 Cb -0.30 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 70.91 2x1s s THR 105 CO 0.24 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 176.99 2x1s h ASN 106 N -1.14 0.55 0.52 3.99 2.35 -1.95 -1.85 115.58 118.04 2x1s h ASN 106 Ca -0.45 0.03 -0.27 0.00 -0.55 0.00 0.00 56.30 55.06 2x1s h ASN 106 Cb 1.29 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.59 2x1s h ASN 106 CO 0.53 0.28 -1.22 -0.33 -1.65 0.00 0.00 177.43 175.05 2x1s h GLU 107 N 0.58 0.34 -0.41 0.81 3.07 -1.92 -2.04 114.58 115.00 2x1s h GLU 107 Ca 0.42 -0.53 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2x1s h GLU 107 Cb 0.78 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 2x1s h GLU 107 CO -0.17 1.23 0.19 0.82 -1.40 0.00 0.00 179.01 179.68 2x1s h ILE 108 N 0.12 1.18 -0.52 3.13 2.04 -1.84 -0.73 117.51 120.89 2x1s h ILE 108 Ca -0.14 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2x1s h ILE 108 Cb 1.92 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 2x1s h ILE 108 CO 0.21 0.19 0.29 0.58 0.00 0.00 0.00 178.15 179.43 2x1s h VAL 109 N 0.53 1.17 -0.64 1.67 2.07 -1.38 -1.33 116.25 118.34 2x1s h VAL 109 Ca 0.14 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2x1s h VAL 109 Cb 0.13 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2x1s h VAL 109 CO -0.02 0.18 0.27 0.00 0.02 0.00 0.00 177.57 178.02 2x1s h ALA 110 N 1.13 1.27 -0.41 1.67 0.00 -1.18 -0.59 119.26 121.16 2x1s h ALA 110 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2x1s h ALA 110 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2x1s h ALA 110 CO -0.03 0.54 -0.17 -0.44 0.00 0.00 0.00 179.25 179.15 2x1s h ASP 111 N 0.91 0.85 -0.78 0.00 3.32 -0.85 -1.31 116.42 118.57 2x1s h ASP 111 Ca 0.22 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2x1s h ASP 111 Cb 0.16 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2x1s h ASP 111 CO -0.02 1.05 0.46 0.11 -1.72 0.00 0.00 179.24 179.12 2x1s h LYS 112 N 0.65 1.07 -0.14 3.56 1.57 -0.81 -0.67 116.57 121.80 2x1s h LYS 112 Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2x1s h LYS 112 Cb 0.72 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2x1s h LYS 112 CO 0.05 0.77 0.06 0.28 -0.57 0.00 0.00 179.45 180.04 2x1s h VAL 113 N 1.07 1.14 -0.69 0.50 2.07 -0.98 -1.32 116.25 118.04 2x1s h VAL 113 Ca 0.28 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2x1s h VAL 113 Cb -0.02 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2x1s h VAL 113 CO -0.05 0.13 0.43 0.00 0.02 0.00 0.00 177.57 178.10 2x1s h ALA 114 N 0.91 0.91 -0.37 1.67 0.00 -1.04 -0.98 119.26 120.36 2x1s h ALA 114 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2x1s h ALA 114 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2x1s h ALA 114 CO -0.00 0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.61 2x1s h ALA 115 N 1.30 0.48 -0.14 0.00 0.00 -0.99 -1.36 119.26 118.54 2x1s h ALA 115 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2x1s h ALA 115 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2x1s h ALA 115 CO -0.11 0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.30 2x1s h ALA 116 N 1.00 0.18 -0.77 0.00 0.00 -0.88 -0.35 119.26 118.44 2x1s h ALA 116 Ca 0.12 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2x1s h ALA 116 Cb 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2x1s h ALA 116 CO -0.01 -0.30 0.49 0.28 0.00 0.00 0.00 179.25 179.71 2x1s h VAL 117 N 0.15 1.12 -0.01 0.00 2.07 -1.11 -0.68 116.25 117.79 2x1s h VAL 117 Ca 0.05 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2x1s h VAL 117 Cb 0.04 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2x1s h VAL 117 CO -0.01 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.66 2x1s h ALA 118 N 1.32 1.81 -0.17 1.67 0.00 -0.79 -1.34 119.26 121.76 2x1s h ALA 118 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2x1s h ALA 118 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x1s h ALA 118 CO -0.11 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.71 2x1s n SER 119 N -4.41 1.24 0.00 0.00 7.64 -0.18 -4.91 113.62 113.00 2x1s n SER 119 Ca -0.03 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2x1s n SER 119 Cb 0.18 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2x1s n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1s n GLY 120 N 0.98 0.91 3.88 0.23 0.00 -0.51 -4.96 105.19 105.72 2x1s n GLY 120 Ca 0.13 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2x1s n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1s s PHE 121 N -2.00 3.53 0.04 1.61 0.40 -0.72 -4.94 117.98 115.91 2x1s s PHE 121 Ca 0.00 0.66 -0.28 0.00 -0.60 0.00 0.00 56.93 56.71 2x1s s PHE 121 Cb 0.00 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 2x1s s PHE 121 CO 0.00 0.48 0.89 -1.64 0.70 0.00 0.00 175.22 175.65 2x1s s MET 122 N -2.25 4.58 -0.17 0.44 -1.94 0.37 -4.36 119.30 115.96 2x1s s MET 122 Ca 0.36 1.28 0.01 0.00 -1.71 0.00 0.00 55.69 55.63 2x1s s MET 122 Cb -0.13 -3.41 0.01 0.00 2.01 0.00 0.00 34.83 33.31 2x1s s MET 122 CO 0.21 0.13 -0.17 0.08 -0.01 0.00 0.00 175.02 175.25 2x1s s VAL 123 N 0.40 2.36 -0.50 -6.03 1.01 0.55 -1.75 120.40 116.44 2x1s s VAL 123 Ca 0.45 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2x1s s VAL 123 Cb -0.21 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.22 2x1s s VAL 123 CO 0.26 0.52 0.69 -0.63 0.00 0.00 0.00 175.10 175.94 2x1s s ILE 124 N 1.08 4.77 -0.24 2.22 1.01 -0.52 0.12 121.20 129.63 2x1s s ILE 124 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2x1s s ILE 124 Cb -0.14 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 2x1s s ILE 124 CO -0.06 -0.83 0.15 0.00 0.00 0.00 0.00 174.94 174.21 2x1s s ALA 125 N 2.91 3.56 -0.13 9.38 0.00 0.12 -1.49 121.76 136.11 2x1s s ALA 125 Ca 0.19 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 2x1s s ALA 125 Cb -0.17 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 2x1s s ALA 125 CO 0.15 -0.23 0.20 0.00 0.00 0.00 0.00 175.76 175.88 2x1s s ILE 127 N -0.37 0.65 0.00 0.00 -4.36 -0.40 -4.60 121.20 112.13 2x1s s ILE 127 Ca 0.14 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 2x1s s ILE 127 Cb -0.12 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.73 2x1s s ILE 127 CO 0.04 -0.71 0.00 0.61 0.24 0.00 0.00 174.94 175.12 2x1s n GLY 128 N -0.12 3.23 3.95 6.27 0.00 -1.26 -1.35 105.19 115.91 2x1s n GLY 128 Ca -0.10 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2x1s n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1s s GLU 129 N -2.00 3.46 0.77 1.61 1.03 -1.26 -4.74 118.70 117.56 2x1s s GLU 129 Ca 0.00 -0.59 -0.08 0.00 0.03 0.00 0.00 54.97 54.33 2x1s s GLU 129 Cb 0.00 -2.90 0.10 0.00 -0.80 0.00 0.00 34.13 30.53 2x1s s GLU 129 CO 0.00 0.45 1.09 0.95 -1.33 0.00 0.00 175.26 176.42 2x1s s THR 130 N -1.88 2.17 0.15 1.83 -4.23 -1.26 -0.80 115.64 111.62 2x1s s THR 130 Ca 0.35 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.44 2x1s s THR 130 Cb -0.10 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.84 2x1s s THR 130 CO 0.29 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.29 2x1s h LEU 131 N -0.84 -0.41 -0.39 4.79 5.85 -1.97 -0.12 115.31 122.22 2x1s h LEU 131 Ca -0.43 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2x1s h LEU 131 Cb 1.30 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 2x1s h LEU 131 CO 0.54 -0.15 0.13 1.56 -0.34 0.00 0.00 178.44 180.18 2x1s h GLN 132 N -0.07 0.60 -0.70 1.25 7.50 -1.98 0.23 115.11 121.93 2x1s h GLN 132 Ca 0.15 -0.12 0.05 0.00 0.50 0.00 0.00 58.65 59.23 2x1s h GLN 132 Cb 0.29 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.68 2x1s h GLN 132 CO -0.34 0.59 0.41 0.93 -1.50 0.00 0.00 178.83 178.92 2x1s h GLU 133 N 0.48 0.75 0.27 1.46 5.08 -1.87 0.07 114.58 120.82 2x1s h GLU 133 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2x1s h GLU 133 Cb 0.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2x1s h GLU 133 CO -0.01 0.49 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.28 2x1s h ARG 134 N 0.77 -0.35 -0.56 2.33 9.65 -0.67 0.15 114.38 125.69 2x1s h ARG 134 Ca 0.31 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 2x1s h ARG 134 Cb 0.15 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 2x1s h ARG 134 CO -0.16 -0.17 0.32 0.93 2.80 0.00 0.00 179.97 183.68 2x1s h GLU 135 N -0.44 0.77 -0.20 0.20 5.08 -0.60 -1.30 114.58 118.08 2x1s h GLU 135 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2x1s h GLU 135 Cb 0.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2x1s h GLU 135 CO 0.06 0.56 0.00 -1.13 -1.00 0.00 0.00 179.01 177.50 2x1s n SER 136 N -4.40 1.17 -0.50 1.42 3.41 -0.02 -4.91 113.62 109.80 2x1s n SER 136 Ca 0.05 -1.93 -0.06 0.00 -0.26 0.00 0.00 58.87 56.67 2x1s n SER 136 Cb 0.09 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2x1s n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1s n GLY 137 N 0.88 0.87 1.72 5.00 0.00 -0.49 -4.92 105.19 108.25 2x1s n GLY 137 Ca 0.09 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.42 2x1s n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1s n ARG 138 N -2.80 4.51 -0.10 1.61 1.74 0.49 -4.62 116.66 117.50 2x1s n ARG 138 Ca -0.06 -3.09 -0.06 0.00 -0.77 0.00 0.00 57.85 53.87 2x1s n ARG 138 Cb 0.22 -2.17 0.01 0.00 -1.02 0.00 0.00 32.46 29.50 2x1s n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1s h THR 139 N 3.70 0.71 0.14 0.55 2.02 -1.83 -1.90 112.91 116.30 2x1s h THR 139 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2x1s h THR 139 Cb 1.85 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2x1s h THR 139 CO 0.43 0.01 -0.07 0.00 0.37 0.00 0.00 175.52 176.26 2x1s h ALA 140 N 1.32 -0.19 -0.73 6.16 0.00 -1.94 -0.92 119.26 122.96 2x1s h ALA 140 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2x1s h ALA 140 Cb 0.24 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2x1s h ALA 140 CO -0.31 -0.52 0.47 0.28 0.00 0.00 0.00 179.25 179.17 2x1s h VAL 141 N -0.36 1.14 0.47 0.00 2.07 -1.88 -0.51 116.25 117.17 2x1s h VAL 141 Ca -0.02 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2x1s h VAL 141 Cb 0.29 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2x1s h VAL 141 CO 0.03 0.17 -0.22 0.58 0.02 0.00 0.00 177.57 178.15 2x1s h VAL 142 N 0.94 0.46 -0.84 2.57 2.07 -1.22 -1.37 116.25 118.86 2x1s h VAL 142 Ca 0.28 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2x1s h VAL 142 Cb -0.04 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2x1s h VAL 142 CO -0.09 0.06 0.54 0.58 0.02 0.00 0.00 177.57 178.68 2x1s h VAL 143 N -0.89 1.14 -0.17 2.57 2.07 -1.13 -1.18 116.25 118.66 2x1s h VAL 143 Ca -0.06 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 2x1s h VAL 143 Cb 0.58 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2x1s h VAL 143 CO 0.11 0.19 -0.53 -0.07 0.02 0.00 0.00 177.57 177.29 2x1s h LEU 144 N 1.05 0.53 -0.67 2.57 3.38 -1.12 -2.00 115.31 119.06 2x1s h LEU 144 Ca 0.33 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2x1s h LEU 144 Cb -0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2x1s h LEU 144 CO -0.11 0.96 0.25 0.74 0.09 0.00 0.00 178.44 180.37 2x1s h THR 145 N 0.38 1.25 -0.24 0.22 2.02 -0.93 -0.16 112.91 115.45 2x1s h THR 145 Ca 0.01 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.41 2x1s h THR 145 Cb 1.05 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2x1s h THR 145 CO 0.10 0.31 0.13 1.56 0.37 0.00 0.00 175.52 177.99 2x1s h GLN 146 N 0.96 0.27 -0.01 6.66 4.20 -1.01 -2.59 115.11 123.60 2x1s h GLN 146 Ca 0.22 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 2x1s h GLN 146 Cb 0.24 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2x1s h GLN 146 CO -0.01 0.18 -0.71 0.97 -0.67 0.00 0.00 178.83 178.59 2x1s h ILE 147 N 0.28 1.48 -0.51 2.54 2.10 -1.24 -3.02 117.51 119.14 2x1s h ILE 147 Ca 0.09 -2.37 -0.03 0.00 1.08 0.00 0.00 64.86 63.64 2x1s h ILE 147 Cb 0.00 2.27 -0.02 0.00 -1.09 0.00 0.00 36.82 37.98 2x1s h ILE 147 CO -0.05 0.68 0.20 0.00 -1.08 0.00 0.00 178.15 177.90 2x1s h ALA 148 N 1.24 1.39 -0.42 0.18 0.00 -0.92 0.10 119.26 120.82 2x1s h ALA 148 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2x1s h ALA 148 Cb 1.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2x1s h ALA 148 CO 0.10 0.46 0.18 0.00 0.00 0.00 0.00 179.25 179.99 2x1s h ALA 149 N 1.49 0.55 -0.36 0.00 0.00 -1.37 -0.78 119.26 118.79 2x1s h ALA 149 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x1s h ALA 149 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2x1s h ALA 149 CO -0.02 0.14 0.23 0.82 0.00 0.00 0.00 179.25 180.42 2x1s h ILE 150 N 0.54 1.11 0.00 0.00 2.04 -1.26 -2.79 117.51 117.15 2x1s h ILE 150 Ca 0.14 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 2x1s h ILE 150 Cb 0.16 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2x1s h ILE 150 CO -0.01 0.10 -0.24 0.00 0.00 0.00 0.00 178.15 178.00 2x1s h ALA 151 N 1.11 1.37 0.00 1.87 0.00 -0.57 -2.59 119.26 120.46 2x1s h ALA 151 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2x1s h ALA 151 Cb -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2x1s h ALA 151 CO -0.03 0.30 -0.14 -0.22 0.00 0.00 0.00 179.25 179.16 2x1s h LYS 152 N 0.00 0.00 -0.56 0.00 3.64 -0.85 -2.51 116.57 116.28 2x1s h LYS 152 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x1s h LYS 152 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2x1s h LYS 152 CO 0.03 0.14 0.00 1.63 -2.27 0.00 0.00 179.45 178.98 2x1s n LYS 153 N -3.92 2.62 -4.40 1.90 4.76 -0.98 -4.94 118.16 113.20 2x1s n LYS 153 Ca -0.02 -2.48 -0.25 0.00 -2.87 0.00 0.00 58.31 52.69 2x1s n LYS 153 Cb 0.23 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 2x1s n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1s s LEU 154 N -1.24 2.44 0.34 -0.35 1.43 -0.95 -4.77 118.68 115.58 2x1s s LEU 154 Ca 0.44 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2x1s s LEU 154 Cb 0.24 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2x1s s LEU 154 CO 0.32 0.07 0.40 -1.59 0.23 0.00 0.00 176.35 175.78 2x1s s LYS 155 N -2.74 2.94 0.22 1.70 -2.85 -1.26 -4.97 119.74 112.78 2x1s s LYS 155 Ca 0.19 -1.14 -0.09 0.00 -1.00 0.00 0.00 55.97 53.94 2x1s s LYS 155 Cb -0.07 -2.67 0.32 0.00 -2.06 0.00 0.00 37.83 33.35 2x1s s LYS 155 CO 0.09 0.06 1.72 -0.22 0.10 0.00 0.00 175.35 177.10 2x1s h LYS 156 N 1.02 0.33 0.00 1.78 3.64 -1.96 -0.66 116.57 120.73 2x1s h LYS 156 Ca -0.45 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2x1s h LYS 156 Cb 1.26 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2x1s h LYS 156 CO 0.55 0.22 -0.00 0.00 -2.27 0.00 0.00 179.45 177.94 2x1s h ALA 157 N 1.47 1.28 0.00 5.00 0.00 -2.01 -2.47 119.26 122.53 2x1s h ALA 157 Ca 0.33 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2x1s h ALA 157 Cb 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2x1s h ALA 157 CO -0.37 0.00 -0.15 -0.44 0.00 0.00 0.00 179.25 178.29 2x1s h ASP 158 N 0.00 0.00 0.73 0.00 3.32 -1.51 -3.06 116.42 115.90 2x1s h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x1s h ASP 158 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2x1s h ASP 158 CO 0.00 0.15 0.00 -0.50 -1.72 0.00 0.00 179.24 177.17 2x1s h TRP 159 N 0.00 0.00 -0.05 4.55 4.06 -1.58 0.40 115.95 123.32 2x1s h TRP 159 Ca -0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2x1s h TRP 159 Cb 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.57 2x1s h TRP 159 CO 0.00 0.00 0.08 0.00 -3.56 0.00 0.00 178.44 174.96 2x1s h ALA 160 N 2.10 1.47 -0.16 1.49 0.00 -1.77 -2.03 119.26 120.35 2x1s h ALA 160 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1s h ALA 160 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2x1s h ALA 160 CO 0.00 -0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.77 2x1s n LYS 161 N -3.59 1.93 -4.41 0.00 4.76 0.13 -4.98 118.16 112.00 2x1s n LYS 161 Ca -0.02 -1.84 -0.32 0.00 -2.87 0.00 0.00 58.31 53.26 2x1s n LYS 161 Cb 0.17 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 2x1s n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1s s VAL 162 N -1.45 3.80 -0.04 -0.18 1.01 -0.77 -0.33 120.40 122.44 2x1s s VAL 162 Ca 0.27 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2x1s s VAL 162 Cb 0.17 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2x1s s VAL 162 CO 0.25 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.99 2x1s s VAL 163 N -1.02 0.63 -0.18 2.92 1.01 0.12 -4.63 120.40 119.25 2x1s s VAL 163 Ca 0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2x1s s VAL 163 Cb -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2x1s s VAL 163 CO 0.08 0.23 0.17 -0.63 0.00 0.00 0.00 175.10 174.95 2x1s s ILE 164 N 0.64 5.39 -0.30 2.22 -1.09 -0.34 0.12 121.20 127.84 2x1s s ILE 164 Ca -0.09 0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.57 2x1s s ILE 164 Cb -0.12 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2x1s s ILE 164 CO 0.01 0.45 0.05 0.00 -1.23 0.00 0.00 174.94 174.22 2x1s s ALA 165 N 0.21 2.96 -0.25 9.38 0.00 0.19 -0.15 121.76 134.10 2x1s s ALA 165 Ca 0.11 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 2x1s s ALA 165 Cb -0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 2x1s s ALA 165 CO 0.00 -1.09 0.46 -0.47 0.00 0.00 0.00 175.76 174.66 2x1s s TYR 166 N 1.40 3.28 -0.16 0.00 5.04 0.81 -1.27 117.35 126.45 2x1s s TYR 166 Ca -0.00 0.59 -0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2x1s s TYR 166 Cb -0.18 -2.65 0.05 0.00 0.35 0.00 0.00 41.96 39.53 2x1s s TYR 166 CO 0.01 -0.22 0.05 -1.21 -1.34 0.00 0.00 175.55 172.84 2x1s s GLU 167 N 2.06 0.42 0.10 4.97 2.02 -0.46 -1.60 118.70 126.21 2x1s s GLU 167 Ca 0.20 -0.18 -0.31 0.00 0.02 0.00 0.00 54.97 54.70 2x1s s GLU 167 Cb -0.16 -1.73 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 2x1s s GLU 167 CO 0.09 -0.57 1.60 -2.14 0.02 0.00 0.00 175.26 174.26 2x1s s PRO 168 N 1.98 4.21 0.45 0.39 0.02 -1.25 -4.17 135.00 136.64 2x1s s PRO 168 Ca 0.01 2.31 0.14 0.00 0.02 0.00 0.00 61.00 63.48 2x1s s PRO 168 Cb -0.16 -3.43 1.06 0.00 0.02 0.00 0.00 34.50 32.00 2x1s s PRO 168 CO -0.07 -0.67 2.03 0.28 -0.33 0.00 0.00 177.00 178.24 2x1s h VAL 169 N 4.51 0.95 0.00 3.83 2.07 -1.26 0.79 116.25 127.14 2x1s h VAL 169 Ca -0.42 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2x1s h VAL 169 Cb 1.20 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2x1s h VAL 169 CO 0.92 0.06 0.00 -2.67 0.02 0.00 0.00 177.57 175.90 2x1s n TRP 170 N -4.47 0.00 0.77 1.57 4.27 -1.26 -2.52 117.44 115.80 2x1s n TRP 170 Ca 0.06 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.75 2x1s n TRP 170 Cb 0.27 -0.39 -0.09 0.00 -1.36 0.00 0.00 31.31 29.74 2x1s n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1s n ALA 171 N -1.39 4.08 -2.60 -1.67 0.00 0.26 -4.64 120.51 114.56 2x1s n ALA 171 Ca 0.06 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 2x1s n ALA 171 Cb 0.17 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 2x1s n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1s s ILE 172 N -2.51 4.24 0.00 0.00 1.01 -1.05 -1.71 121.20 121.18 2x1s s ILE 172 Ca 0.06 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2x1s s ILE 172 Cb 0.12 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 38.01 2x1s s ILE 172 CO 0.66 -0.98 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2x1s n GLY 173 N 4.83 0.42 0.01 6.18 0.00 -1.26 -4.83 105.19 110.54 2x1s n GLY 173 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2x1s n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1s n THR 174 N -2.45 0.02 -0.93 2.61 -2.24 -1.25 -4.96 114.28 105.08 2x1s n THR 174 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2x1s n THR 174 Cb 0.12 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2x1s n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1s n GLY 175 N 1.42 0.65 3.15 3.38 0.00 -1.26 -5.00 105.19 107.53 2x1s n GLY 175 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2x1s n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1s s LYS 176 N -0.07 2.28 0.41 1.61 2.20 -1.26 -5.03 119.74 119.89 2x1s s LYS 176 Ca 0.00 -1.91 -0.18 0.00 -0.36 0.00 0.00 55.97 53.52 2x1s s LYS 176 Cb 0.00 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.48 2x1s s LYS 176 CO 0.00 -1.14 0.89 0.54 -0.36 0.00 0.00 175.35 175.28 2x1s s VAL 177 N 1.04 4.52 0.49 4.02 0.11 -1.26 -4.11 120.40 125.20 2x1s s VAL 177 Ca 0.09 1.24 -0.22 0.00 -2.93 0.00 0.00 61.98 60.16 2x1s s VAL 177 Cb -0.23 -3.63 -0.07 0.00 -1.53 0.00 0.00 36.38 30.92 2x1s s VAL 177 CO -0.03 -0.36 1.18 0.00 -3.33 0.00 0.00 175.10 172.56 2x1s s ALA 178 N -2.21 2.88 0.83 1.54 0.00 -1.26 -5.02 121.76 118.52 2x1s s ALA 178 Ca 0.59 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 2x1s s ALA 178 Cb -0.10 -3.40 0.09 0.00 0.00 0.00 0.00 23.12 19.72 2x1s s ALA 178 CO 0.18 -0.76 1.09 0.95 0.00 0.00 0.00 175.76 177.22 2x1s s THR 179 N -1.57 2.98 0.42 0.00 -4.23 -1.26 -4.79 115.64 107.19 2x1s s THR 179 Ca 0.67 0.32 0.12 0.00 -1.18 0.00 0.00 61.69 61.62 2x1s s THR 179 Cb -0.29 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.09 2x1s s THR 179 CO 0.34 -0.42 2.00 -0.65 -0.54 0.00 0.00 174.62 175.35 2x1s h PRO 180 N -1.35 0.44 -0.35 3.99 0.11 -1.95 -1.11 132.00 131.78 2x1s h PRO 180 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2x1s h PRO 180 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2x1s h PRO 180 CO 0.52 0.29 -0.13 1.96 -0.21 0.00 0.00 178.00 180.43 2x1s h GLN 181 N 0.46 0.72 -0.24 1.05 7.50 -1.99 -1.05 115.11 121.56 2x1s h GLN 181 Ca 0.25 -0.30 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 2x1s h GLN 181 Cb 0.40 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 2x1s h GLN 181 CO -0.07 0.90 0.13 1.96 -1.50 0.00 0.00 178.83 180.25 2x1s h GLN 182 N 0.50 0.33 -0.07 1.46 4.20 -1.75 -0.66 115.11 119.13 2x1s h GLN 182 Ca 0.08 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2x1s h GLN 182 Cb 0.66 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2x1s h GLN 182 CO 0.04 0.30 0.04 0.00 -0.67 0.00 0.00 178.83 178.55 2x1s h ALA 183 N 1.01 0.09 -0.81 3.87 0.00 -1.20 -2.23 119.26 120.00 2x1s h ALA 183 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2x1s h ALA 183 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2x1s h ALA 183 CO -0.01 -0.38 0.54 0.37 0.00 0.00 0.00 179.25 179.77 2x1s h GLN 184 N 0.04 1.06 -0.76 0.00 5.75 -1.11 -0.54 115.11 119.55 2x1s h GLN 184 Ca 0.03 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2x1s h GLN 184 Cb 0.07 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.34 2x1s h GLN 184 CO -0.00 0.70 0.39 1.49 -2.65 0.00 0.00 178.83 178.76 2x1s h GLU 185 N 1.10 1.07 -0.16 1.69 4.81 -0.99 0.17 114.58 122.27 2x1s h GLU 185 Ca 0.30 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2x1s h GLU 185 Cb -0.13 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.05 2x1s h GLU 185 CO -0.06 0.81 -0.05 0.00 -0.73 0.00 0.00 179.01 178.97 2x1s h ALA 186 N 1.20 0.22 -0.70 2.92 0.00 -0.97 -2.25 119.26 119.67 2x1s h ALA 186 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2x1s h ALA 186 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2x1s h ALA 186 CO -0.04 -0.01 0.32 0.45 0.00 0.00 0.00 179.25 179.97 2x1s h HIS 187 N -0.00 1.02 -0.62 0.00 3.86 -0.94 -1.79 115.15 116.68 2x1s h HIS 187 Ca 0.04 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 2x1s h HIS 187 Cb 0.50 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 2x1s h HIS 187 CO 0.06 0.77 0.06 0.00 0.86 0.00 0.00 177.93 179.68 2x1s h ALA 188 N 1.15 0.94 -0.85 2.45 0.00 -0.95 0.28 119.26 122.28 2x1s h ALA 188 Ca 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2x1s h ALA 188 Cb 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2x1s h ALA 188 CO -0.03 0.65 0.44 1.25 0.00 0.00 0.00 179.25 181.56 2x1s h LEU 189 N 0.96 1.08 -0.10 0.00 6.46 -1.22 0.28 115.31 122.79 2x1s h LEU 189 Ca 0.18 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2x1s h LEU 189 Cb 0.47 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2x1s h LEU 189 CO 0.02 0.89 -0.09 0.40 -0.62 0.00 0.00 178.44 179.04 2x1s h ILE 190 N 1.19 1.35 -0.75 4.05 2.04 -0.89 -2.66 117.51 121.85 2x1s h ILE 190 Ca 0.29 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 2x1s h ILE 190 Cb 0.07 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2x1s h ILE 190 CO -0.04 0.35 0.26 -0.09 0.00 0.00 0.00 178.15 178.62 2x1s h ARG 191 N -0.17 1.14 -0.80 2.37 2.43 -0.80 -1.34 114.38 117.20 2x1s h ARG 191 Ca 0.02 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2x1s h ARG 191 Cb 0.59 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2x1s h ARG 191 CO 0.02 0.95 0.43 1.03 -1.51 0.00 0.00 179.97 180.89 2x1s h SER 192 N 1.10 1.00 -0.45 -3.80 0.87 -0.97 0.14 113.55 111.44 2x1s h SER 192 Ca 0.24 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 2x1s h SER 192 Cb 0.26 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2x1s h SER 192 CO -0.01 0.81 -0.07 -0.25 -0.53 0.00 0.00 176.83 176.78 2x1s h TRP 193 N 1.12 0.94 -0.45 2.24 7.01 -1.09 -1.74 115.95 123.99 2x1s h TRP 193 Ca 0.28 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 2x1s h TRP 193 Cb 0.04 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 2x1s h TRP 193 CO 0.01 0.93 0.17 0.28 -2.79 0.00 0.00 178.44 177.04 2x1s h VAL 194 N 0.69 1.21 -0.32 2.65 2.07 -0.87 0.71 116.25 122.37 2x1s h VAL 194 Ca 0.12 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2x1s h VAL 194 Cb 0.60 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2x1s h VAL 194 CO 0.04 0.24 0.09 -1.28 0.02 0.00 0.00 177.57 176.68 2x1s h SER 195 N 0.58 0.07 0.62 0.57 0.87 -0.63 0.32 113.55 115.95 2x1s h SER 195 Ca 0.15 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.52 2x1s h SER 195 Cb 0.20 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2x1s h SER 195 CO -0.01 0.08 -1.02 0.77 -0.53 0.00 0.00 176.83 176.12 2x1s h SER 196 N 0.22 0.32 0.26 6.23 4.64 -1.13 -2.26 113.55 121.83 2x1s h SER 196 Ca 0.15 -0.29 -0.33 0.00 -0.47 0.00 0.00 61.79 60.85 2x1s h SER 196 Cb 0.14 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 2x1s h SER 196 CO -0.17 1.15 -2.01 0.29 -0.87 0.00 0.00 176.83 175.22 2x1s n LYS 197 N -3.59 0.66 -0.08 4.77 4.76 0.22 -4.66 118.16 120.25 2x1s n LYS 197 Ca -0.05 0.18 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 2x1s n LYS 197 Cb 0.90 -1.68 -0.07 0.00 -1.84 0.00 0.00 35.03 32.34 2x1s n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x1s n ILE 198 N -2.99 0.89 0.00 -0.18 2.08 0.97 -5.06 119.36 115.06 2x1s n ILE 198 Ca -0.25 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.75 2x1s n ILE 198 Cb 1.09 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 2x1s n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1s n GLY 199 N 2.52 4.57 0.26 7.39 0.00 -0.28 -4.88 105.19 114.78 2x1s n GLY 199 Ca -0.29 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 44.95 2x1s n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1s h ALA 200 N 0.00 1.11 -0.10 4.61 0.00 -1.79 -0.86 119.26 122.23 2x1s h ALA 200 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2x1s h ALA 200 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x1s h ALA 200 CO 0.00 0.13 -0.19 0.38 0.00 0.00 0.00 179.25 179.57 2x1s h ASP 201 N 0.00 0.35 -0.36 0.00 2.03 -1.92 -2.24 116.42 114.27 2x1s h ASP 201 Ca -0.00 -0.55 -0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2x1s h ASP 201 Cb 0.45 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 2x1s h ASP 201 CO 0.01 0.84 0.22 0.58 -1.03 0.00 0.00 179.24 179.86 2x1s h VAL 202 N -0.13 1.12 -0.78 4.15 2.07 -1.83 -2.98 116.25 117.88 2x1s h VAL 202 Ca 0.00 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.32 2x1s h VAL 202 Cb 0.78 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 2x1s h VAL 202 CO 0.04 0.12 0.44 0.00 0.02 0.00 0.00 177.57 178.20 2x1s h ALA 203 N 1.09 1.08 0.00 1.67 0.00 -1.16 -1.67 119.26 120.28 2x1s h ALA 203 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2x1s h ALA 203 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2x1s h ALA 203 CO -0.02 0.09 -0.20 0.78 0.00 0.00 0.00 179.25 179.90 2x1s h GLY 204 N 0.76 0.00 0.38 0.00 0.00 -1.26 -2.91 103.07 100.05 2x1s h GLY 204 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2x1s h GLY 204 CO -0.23 0.00 -1.24 1.18 0.00 0.00 0.00 176.54 176.26 2x1s n GLU 205 N -3.47 0.34 -2.13 4.80 -0.58 -0.93 -4.54 120.64 114.13 2x1s n GLU 205 Ca -0.01 -0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.27 2x1s n GLU 205 Cb 0.37 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 2x1s n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x1s s LEU 206 N -3.98 4.34 -0.18 -4.62 2.96 -0.67 -4.85 118.68 111.67 2x1s s LEU 206 Ca 0.02 2.26 -0.26 0.00 -0.22 0.00 0.00 54.13 55.93 2x1s s LEU 206 Cb 0.14 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 2x1s s LEU 206 CO 0.84 -0.75 0.86 -0.13 -1.32 0.00 0.00 176.35 175.85 2x1s s ARG 207 N 2.13 4.29 -0.25 1.98 3.00 -1.26 -4.94 118.95 123.90 2x1s s ARG 207 Ca 0.67 1.05 -0.02 0.00 0.00 0.00 0.00 55.73 57.43 2x1s s ARG 207 Cb -0.35 -3.59 0.02 0.00 0.00 0.00 0.00 34.95 31.04 2x1s s ARG 207 CO 0.29 -0.37 -0.05 0.42 0.00 0.00 0.00 175.30 175.59 2x1s s ILE 208 N 2.31 3.00 0.00 1.52 1.01 -1.26 -1.20 121.20 126.58 2x1s s ILE 208 Ca 0.39 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2x1s s ILE 208 Cb -0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 2x1s s ILE 208 CO 0.12 0.21 0.17 -0.76 0.00 0.00 0.00 174.94 174.68 2x1s s LEU 209 N 1.35 4.31 -0.10 2.97 1.43 0.79 -1.36 118.68 128.07 2x1s s LEU 209 Ca 0.01 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2x1s s LEU 209 Cb -0.16 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2x1s s LEU 209 CO -0.04 0.25 0.15 -0.47 0.23 0.00 0.00 176.35 176.47 2x1s s TYR 210 N -1.34 3.59 0.01 0.29 5.04 -0.31 -0.14 117.35 124.50 2x1s s TYR 210 Ca 0.28 0.51 -0.06 0.00 -2.44 0.00 0.00 57.07 55.36 2x1s s TYR 210 Cb -0.13 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.25 2x1s s TYR 210 CO 0.20 0.72 0.11 0.20 -1.34 0.00 0.00 175.55 175.43 2x1s s GLY 211 N -1.19 0.09 0.00 8.97 0.00 -0.63 -1.37 107.32 113.19 2x1s s GLY 211 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.66 2x1s s GLY 211 CO 0.07 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.41 2x1s n GLY 212 N 1.43 1.67 2.32 0.20 0.00 -1.26 -3.97 105.19 105.58 2x1s n GLY 212 Ca -0.23 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2x1s n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1s n SER 213 N 0.00 -4.45 -4.76 1.61 7.64 -0.69 -4.32 113.62 108.65 2x1s n SER 213 Ca 0.00 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2x1s n SER 213 Cb 0.00 -3.42 -0.02 0.00 -1.01 0.00 0.00 64.21 59.75 2x1s n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1s s VAL 214 N -2.62 2.79 0.31 0.44 1.01 -1.26 -4.61 120.40 116.45 2x1s s VAL 214 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2x1s s VAL 214 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2x1s s VAL 214 CO 0.00 0.15 0.29 0.54 0.00 0.00 0.00 175.10 176.08 2x1s s ASN 215 N -0.17 1.21 0.35 3.32 2.20 -1.26 -4.90 114.94 115.69 2x1s s ASN 215 Ca 0.52 -1.62 0.08 0.00 -0.94 0.00 0.00 52.86 50.90 2x1s s ASN 215 Cb -0.40 0.54 0.78 0.00 -2.00 0.00 0.00 41.25 40.18 2x1s s ASN 215 CO 0.48 -1.06 1.88 1.23 -2.94 0.00 0.00 177.10 176.69 2x1s h GLY 216 N 2.23 1.19 1.00 0.45 0.00 -1.90 -2.05 103.07 103.98 2x1s h GLY 216 Ca -0.28 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.57 2x1s h GLY 216 CO 0.40 0.12 -0.60 0.07 0.00 0.00 0.00 176.54 176.54 2x1s h LYS 217 N 0.73 0.64 0.00 4.80 5.09 -1.96 -3.37 116.57 122.51 2x1s h LYS 217 Ca 0.43 -0.51 0.00 0.00 0.09 0.00 0.00 60.65 60.65 2x1s h LYS 217 Cb 0.62 0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.05 2x1s h LYS 217 CO -0.19 1.13 -1.04 0.27 -2.09 0.00 0.00 179.45 177.54 2x1s n ASN 218 N -4.12 0.81 -0.11 7.07 0.23 -1.05 -4.54 115.26 113.55 2x1s n ASN 218 Ca -0.08 -0.75 -0.10 0.00 -0.53 0.00 0.00 54.58 53.13 2x1s n ASN 218 Cb 0.65 0.99 -0.02 0.00 -2.08 0.00 0.00 39.78 39.32 2x1s n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x1s h ALA 219 N 2.87 0.44 -0.31 -2.53 0.00 -1.54 -2.95 119.26 115.23 2x1s h ALA 219 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2x1s h ALA 219 Cb 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2x1s h ALA 219 CO 0.00 0.04 -0.13 -0.09 0.00 0.00 0.00 179.25 179.07 2x1s h ARG 220 N 0.40 0.54 -0.46 0.00 2.43 -1.80 -0.50 114.38 114.99 2x1s h ARG 220 Ca 0.11 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2x1s h ARG 220 Cb 0.19 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2x1s h ARG 220 CO -0.01 0.66 0.21 1.15 -1.51 0.00 0.00 179.97 180.48 2x1s h THR 221 N 0.50 1.19 -0.81 0.20 2.02 -1.84 -2.69 112.91 111.48 2x1s h THR 221 Ca 0.09 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2x1s h THR 221 Cb 0.52 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2x1s h THR 221 CO 0.03 0.21 0.46 -0.07 0.37 0.00 0.00 175.52 176.52 2x1s h LEU 222 N 0.61 0.99 -1.97 2.58 3.38 -1.20 -2.55 115.31 117.15 2x1s h LEU 222 Ca 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2x1s h LEU 222 Cb 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2x1s h LEU 222 CO -0.02 0.79 -0.09 0.22 0.09 0.00 0.00 178.44 179.43 2x1s h TYR 223 N 1.11 0.00 0.00 1.13 3.20 -0.86 -1.98 116.97 119.58 2x1s h TYR 223 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2x1s h TYR 223 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2x1s h TYR 223 CO 0.00 0.09 0.00 1.04 -1.64 0.00 0.00 178.16 177.65 2x1s n GLN 224 N -3.51 0.17 -2.54 1.82 1.13 -0.96 -4.76 117.38 108.74 2x1s n GLN 224 Ca -0.02 0.49 -0.35 0.00 -1.94 0.00 0.00 57.00 55.19 2x1s n GLN 224 Cb 0.23 -1.88 -0.04 0.00 0.11 0.00 0.00 30.24 28.66 2x1s n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2x1s s GLN 225 N -3.38 3.91 0.26 -1.09 -1.52 -0.75 -4.93 119.66 112.17 2x1s s GLN 225 Ca 0.02 1.42 -0.01 0.00 -1.95 0.00 0.00 55.36 54.83 2x1s s GLN 225 Cb 0.08 -2.24 0.52 0.00 -0.22 0.00 0.00 33.01 31.16 2x1s s GLN 225 CO 0.32 -0.35 1.75 -0.09 -0.25 0.00 0.00 175.29 176.67 2x1s h ARG 226 N 1.85 0.57 -0.36 2.91 2.43 -1.90 -2.95 114.38 116.94 2x1s h ARG 226 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2x1s h ARG 226 Cb 1.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2x1s h ARG 226 CO 0.60 0.38 0.00 -0.25 -1.51 0.00 0.00 179.97 179.19 2x1s n ASP 227 N -4.90 3.82 -4.65 -3.80 9.92 -1.26 -4.92 116.55 110.76 2x1s n ASP 227 Ca 0.17 -2.61 -0.38 0.00 -0.53 0.00 0.00 54.79 51.43 2x1s n ASP 227 Cb 0.44 -0.46 -0.08 0.00 -0.64 0.00 0.00 41.12 40.38 2x1s n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x1s s VAL 228 N -2.11 5.21 -0.17 2.53 1.01 -1.12 -4.64 120.40 121.11 2x1s s VAL 228 Ca 0.38 0.60 0.17 0.00 0.00 0.00 0.00 61.98 63.13 2x1s s VAL 228 Cb 0.28 -3.69 0.36 0.00 0.00 0.00 0.00 36.38 33.33 2x1s s VAL 228 CO 0.14 0.24 1.25 0.59 0.00 0.00 0.00 175.10 177.31 2x1s n ASN 229 N 4.66 2.92 0.00 3.32 4.13 -0.46 -4.86 115.26 124.97 2x1s n ASN 229 Ca -0.09 -2.95 0.00 0.00 1.68 0.00 0.00 54.58 53.22 2x1s n ASN 229 Cb 0.51 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2x1s n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1s n GLY 230 N -0.96 0.85 3.10 7.41 0.00 -1.26 -1.54 105.19 112.79 2x1s n GLY 230 Ca 0.17 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 2x1s n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1s s PHE 231 N -2.77 0.12 -0.13 1.61 0.08 -0.56 -1.17 117.98 115.16 2x1s s PHE 231 Ca 0.00 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.76 2x1s s PHE 231 Cb 0.00 -0.10 -0.00 0.00 -0.57 0.00 0.00 43.02 42.35 2x1s s PHE 231 CO 0.00 -0.31 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.46 2x1s s LEU 232 N -1.66 2.33 0.32 -0.37 2.96 -0.47 -0.77 118.68 121.03 2x1s s LEU 232 Ca -0.12 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2x1s s LEU 232 Cb -0.06 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2x1s s LEU 232 CO -0.01 0.11 0.40 0.00 -1.32 0.00 0.00 176.35 175.54 2x1s s ALA 233 N 0.63 1.00 0.67 5.97 0.00 -0.17 -4.00 121.76 125.86 2x1s s ALA 233 Ca -0.10 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 2x1s s ALA 233 Cb -0.16 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.20 2x1s s ALA 233 CO 0.03 -0.75 1.05 0.20 0.00 0.00 0.00 175.76 176.29 2x1s s GLY 234 N -3.25 1.69 -0.81 0.00 0.00 -1.26 0.22 107.32 103.90 2x1s s GLY 234 Ca 0.33 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.84 2x1s s GLY 234 CO 0.21 0.34 1.32 -2.27 0.00 0.00 0.00 173.10 172.69 2x1s s LEU 238 N -5.38 3.29 0.09 0.66 2.96 -1.24 -4.58 118.68 114.48 2x1s s LEU 238 Ca 0.57 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.65 2x1s s LEU 238 Cb -0.13 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.01 2x1s s LEU 238 CO 0.54 -1.74 0.23 -0.54 -1.32 0.00 0.00 176.35 173.52 2x1s s LYS 239 N 5.49 0.88 0.46 1.98 1.02 -1.26 -5.05 119.74 123.26 2x1s s LYS 239 Ca 0.38 -0.89 0.21 0.00 0.02 0.00 0.00 55.97 55.69 2x1s s LYS 239 Cb -0.06 0.36 1.20 0.00 -0.52 0.00 0.00 37.83 38.82 2x1s s LYS 239 CO 0.08 -0.29 1.88 -1.35 -0.92 0.00 0.00 175.35 174.75 2x1s h PRO 240 N 2.71 0.27 0.00 -1.68 0.11 -1.97 -0.67 132.00 130.77 2x1s h PRO 240 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2x1s h PRO 240 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2x1s h PRO 240 CO 0.54 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.66 2x1s n GLU 241 N -4.44 0.02 -0.08 1.05 0.28 -1.26 -2.84 120.64 113.37 2x1s n GLU 241 Ca 0.18 0.15 0.21 0.00 -0.16 0.00 0.00 57.16 57.53 2x1s n GLU 241 Cb 0.75 -1.52 0.65 0.00 1.43 0.00 0.00 31.44 32.74 2x1s n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2x1s h PHE 242 N 0.00 0.13 -0.91 -1.84 3.57 -1.40 0.38 116.94 116.87 2x1s h PHE 242 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2x1s h PHE 242 Cb 0.38 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 2x1s h PHE 242 CO 0.00 0.05 0.58 0.28 -2.23 0.00 0.00 178.31 176.99 2x1s h VAL 243 N 0.11 1.11 0.00 1.41 2.07 -1.72 0.19 116.25 119.42 2x1s h VAL 243 Ca 0.32 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 2x1s h VAL 243 Cb 1.11 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2x1s h VAL 243 CO -0.04 0.20 -0.53 0.44 0.02 0.00 0.00 177.57 177.66 2x1s h ASP 244 N 1.10 0.00 -0.39 0.57 3.32 -1.17 -2.16 116.42 117.69 2x1s h ASP 244 Ca 0.38 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.33 2x1s h ASP 244 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2x1s h ASP 244 CO -0.14 0.53 -0.13 0.40 -1.72 0.00 0.00 179.24 178.18 2x1s h ILE 245 N 0.00 1.28 -0.55 0.35 2.04 -0.73 -1.64 117.51 118.25 2x1s h ILE 245 Ca -0.01 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.66 2x1s h ILE 245 Cb 1.05 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2x1s h ILE 245 CO 0.07 0.41 0.28 0.40 0.00 0.00 0.00 178.15 179.32 2x1s h ILE 246 N 0.59 0.95 0.00 -0.67 2.04 -0.48 -2.46 117.51 117.49 2x1s h ILE 246 Ca 0.10 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2x1s h ILE 246 Cb 0.67 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2x1s h ILE 246 CO 0.05 0.10 -0.16 0.11 0.00 0.00 0.00 178.15 178.24 2x1s h LYS 247 N 0.54 0.00 0.00 2.37 1.57 -1.18 -2.50 116.57 117.36 2x1s h LYS 247 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2x1s h LYS 247 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2x1s h LYS 247 CO -0.17 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 2x1s n ALA 248 N -2.33 1.98 -1.32 3.86 0.00 -0.64 -4.14 120.51 117.93 2x1s n ALA 248 Ca -0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2x1s n ALA 248 Cb 0.27 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 2x1s n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1s n THR 249 N -1.48 3.79 -1.38 0.00 -2.24 -0.94 -4.48 114.28 107.54 2x1s n THR 249 Ca 0.06 -2.49 0.00 0.00 -2.27 0.00 0.00 64.05 59.35 2x1s n THR 249 Cb 0.24 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 2x1s n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50