#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3n n THR 58 N 0.00 0.65 -0.22 1.55 -1.04 -1.26 -2.64 114.28 111.32 2h3n n THR 58 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2h3n n THR 58 Cb 0.00 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 2h3n n THR 58 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2h3n n HIS 59 N 2.74 0.00 -2.52 -1.42 -0.00 -1.26 -4.99 115.22 107.77 2h3n n HIS 59 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.42 2h3n n HIS 59 Cb 0.35 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.99 30.03 2h3n n HIS 59 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2h3n s VAL 60 N -2.70 4.04 -0.07 1.59 1.01 -1.08 -5.01 120.40 118.17 2h3n s VAL 60 Ca 0.00 1.64 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 2h3n s VAL 60 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2h3n s VAL 60 CO 0.00 0.23 0.62 -0.36 0.00 0.00 0.00 175.10 175.59 2h3n s PHE 61 N 0.23 3.58 0.59 5.22 0.40 -1.26 -5.06 117.98 121.69 2h3n s PHE 61 Ca 0.52 1.15 -0.14 0.00 -0.60 0.00 0.00 56.93 57.86 2h3n s PHE 61 Cb -0.28 -2.70 -0.05 0.00 0.51 0.00 0.00 43.02 40.50 2h3n s PHE 61 CO 0.32 0.16 1.03 0.20 0.70 0.00 0.00 175.22 177.63 2h3n s GLY 62 N 0.55 1.92 0.59 4.36 0.00 -1.26 -4.97 107.32 108.51 2h3n s GLY 62 Ca 0.33 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 45.02 2h3n s GLY 62 CO 0.16 0.44 0.96 -1.14 0.00 0.00 0.00 173.10 173.52 2h3n n SER 63 N -2.22 0.78 -2.26 1.64 3.41 -1.26 -4.95 113.62 108.75 2h3n n SER 63 Ca 0.07 0.81 -0.03 0.00 -0.26 0.00 0.00 58.87 59.47 2h3n n SER 63 Cb 0.54 -1.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.12 2h3n n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h3n n GLY 64 N 1.29 0.07 2.78 5.00 0.00 -1.26 -5.11 105.19 107.96 2h3n n GLY 64 Ca 0.13 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 2h3n n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h3n s THR 65 N -0.56 0.32 -0.09 2.61 2.01 -1.26 -5.13 115.64 113.54 2h3n s THR 65 Ca 0.08 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 2h3n s THR 65 Cb -0.00 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 2h3n s THR 65 CO 0.05 0.23 0.92 -1.58 -0.69 0.00 0.00 174.62 173.55 2h3n s GLN 66 N 1.70 4.43 -0.16 4.92 2.00 -1.26 -5.04 119.66 126.25 2h3n s GLN 66 Ca 0.01 1.24 -0.06 0.00 -2.00 0.00 0.00 55.36 54.55 2h3n s GLN 66 Cb -0.13 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.13 2h3n s GLN 66 CO -0.04 -0.21 0.04 -1.17 -0.50 0.00 0.00 175.29 173.42 2h3n s LEU 67 N 1.65 3.72 -0.11 3.68 2.96 -1.26 -5.09 118.68 124.22 2h3n s LEU 67 Ca 0.45 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2h3n s LEU 67 Cb -0.18 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.60 2h3n s LEU 67 CO 0.19 0.23 -0.22 0.42 -1.32 0.00 0.00 176.35 175.64 2h3n s THR 68 N 0.05 1.98 -0.55 3.68 -4.23 -1.26 -5.08 115.64 110.22 2h3n s THR 68 Ca 0.04 -0.95 -0.22 0.00 -1.18 0.00 0.00 61.69 59.38 2h3n s THR 68 Cb -0.12 -1.73 0.05 0.00 1.34 0.00 0.00 72.50 72.04 2h3n s THR 68 CO 0.01 0.54 0.84 -0.69 -0.54 0.00 0.00 174.62 174.78 2h3n s VAL 69 N 0.58 4.54 0.94 2.29 1.01 -1.26 -5.03 120.40 123.47 2h3n s VAL 69 Ca -0.13 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 2h3n s VAL 69 Cb -0.17 -4.48 0.15 0.00 0.00 0.00 0.00 36.38 31.88 2h3n s VAL 69 CO 0.04 -1.07 1.09 -0.76 0.00 0.00 0.00 175.10 174.40 2h3n s LEU 70 N 3.53 2.01 -0.89 3.92 1.43 -1.26 -4.16 118.68 123.25 2h3n s LEU 70 Ca 0.24 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2h3n s LEU 70 Cb -0.15 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.32 2h3n s LEU 70 CO 0.15 -2.88 0.00 -0.24 0.23 0.00 0.00 176.35 173.61 2h3n n SER 71 N -4.04 -4.49 -4.76 2.29 2.88 -1.26 -4.99 113.62 99.24 2h3n n SER 71 Ca 0.06 0.21 -0.40 0.00 -1.33 0.00 0.00 58.87 57.42 2h3n n SER 71 Cb 0.56 -2.73 -0.04 0.00 -0.75 0.00 0.00 64.21 61.24 2h3n n SER 71 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2h3n s GLN 72 N -2.46 4.50 0.23 -1.46 -0.21 -1.26 -4.97 119.66 114.03 2h3n s GLN 72 Ca 0.00 1.79 -0.31 0.00 0.02 0.00 0.00 55.36 56.87 2h3n s GLN 72 Cb 0.00 -3.04 -0.10 0.00 1.00 0.00 0.00 33.01 30.87 2h3n s GLN 72 CO 0.00 0.09 1.52 -2.14 -2.12 0.00 0.00 175.29 172.64 2h3n s PRO 73 N -1.70 4.22 0.38 2.91 0.02 -1.26 -5.00 135.00 134.56 2h3n s PRO 73 Ca 0.48 2.38 -0.18 0.00 0.02 0.00 0.00 61.00 63.71 2h3n s PRO 73 Cb -0.31 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.01 2h3n s PRO 73 CO 0.40 -0.54 0.85 0.15 -0.33 0.00 0.00 177.00 177.53 2h3n s LYS 74 N 0.18 4.10 -0.08 5.54 1.02 -1.26 -4.80 119.74 124.44 2h3n s LYS 74 Ca 0.64 0.88 -0.03 0.00 0.02 0.00 0.00 55.97 57.48 2h3n s LYS 74 Cb -0.44 -2.30 0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2h3n s LYS 74 CO 0.39 0.05 0.15 0.00 -0.92 0.00 0.00 175.35 175.03 2h3n s ALA 75 N -2.11 -0.18 0.20 5.17 0.00 -0.14 -4.88 121.76 119.81 2h3n s ALA 75 Ca 0.58 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 2h3n s ALA 75 Cb -0.10 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 2h3n s ALA 75 CO 0.16 -0.44 1.31 0.99 0.00 0.00 0.00 175.76 177.78 2h3n s THR 76 N 1.95 3.19 0.50 0.00 2.01 -1.26 -1.64 115.64 120.39 2h3n s THR 76 Ca -0.01 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 62.76 2h3n s THR 76 Cb -0.12 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 2h3n s THR 76 CO -0.06 0.15 1.28 -2.16 -0.69 0.00 0.00 174.62 173.14 2h3n s PRO 77 N -0.18 3.46 0.09 4.92 0.04 -1.26 -4.69 135.00 137.38 2h3n s PRO 77 Ca 0.56 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.45 2h3n s PRO 77 Cb -0.37 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 2h3n s PRO 77 CO 0.39 -0.87 0.62 -1.12 0.04 0.00 0.00 177.00 176.05 2h3n s SER 78 N -1.09 7.14 -0.15 6.66 0.01 -0.75 -4.90 113.70 120.62 2h3n s SER 78 Ca 0.67 1.35 0.02 0.00 1.31 0.00 0.00 55.95 59.30 2h3n s SER 78 Cb -0.36 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.49 2h3n s SER 78 CO 0.43 0.25 -0.21 -0.69 0.41 0.00 0.00 173.24 173.43 2h3n s VAL 79 N -1.07 2.02 -0.17 3.43 1.01 -1.26 -2.22 120.40 122.14 2h3n s VAL 79 Ca 0.31 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2h3n s VAL 79 Cb -0.20 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2h3n s VAL 79 CO 0.21 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.81 2h3n s THR 80 N 1.02 1.72 -0.17 3.92 2.01 0.48 -4.98 115.64 119.64 2h3n s THR 80 Ca -0.02 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 2h3n s THR 80 Cb -0.14 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2h3n s THR 80 CO -0.06 0.42 0.07 -0.22 -0.69 0.00 0.00 174.62 174.13 2h3n s LEU 81 N 1.41 3.86 -0.08 4.42 2.96 -1.26 0.05 118.68 130.03 2h3n s LEU 81 Ca 0.04 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 2h3n s LEU 81 Cb -0.14 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2h3n s LEU 81 CO -0.11 0.20 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.60 2h3n s PHE 82 N 0.20 2.68 0.69 5.38 0.08 0.66 -5.00 117.98 122.66 2h3n s PHE 82 Ca 0.05 -0.51 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 2h3n s PHE 82 Cb -0.12 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2h3n s PHE 82 CO 0.00 -0.08 0.99 -1.25 -0.10 0.00 0.00 175.22 174.78 2h3n s PRO 83 N -0.14 2.23 0.22 0.24 0.04 -1.26 -2.01 135.00 134.32 2h3n s PRO 83 Ca -0.02 -0.30 -0.32 0.00 0.04 0.00 0.00 61.00 60.41 2h3n s PRO 83 Cb -0.14 -2.20 -0.14 0.00 0.04 0.00 0.00 34.50 32.07 2h3n s PRO 83 CO 0.04 -1.19 1.33 -2.30 0.04 0.00 0.00 177.00 174.91 2h3n n PRO 84 N -2.87 1.77 -1.76 0.56 -0.02 -1.20 -4.84 135.00 126.63 2h3n n PRO 84 Ca 0.08 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 2h3n n PRO 84 Cb 0.60 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.90 2h3n n PRO 84 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2h3n s SER 85 N 0.18 5.09 0.15 2.55 1.04 -1.26 -4.84 113.70 116.60 2h3n s SER 85 Ca 0.69 2.02 -0.16 0.00 0.48 0.00 0.00 55.95 58.98 2h3n s SER 85 Cb -0.71 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 62.87 2h3n s SER 85 CO 0.51 -1.64 1.79 -1.28 0.98 0.00 0.00 173.24 173.59 2h3n h SER 86 N 0.05 0.50 -0.92 7.02 0.87 -1.97 0.17 113.55 119.28 2h3n h SER 86 Ca -0.47 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.05 2h3n h SER 86 Cb 1.25 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 2h3n h SER 86 CO 0.54 0.40 0.59 -0.33 -0.53 0.00 0.00 176.83 177.50 2h3n h GLU 87 N 0.55 1.22 0.14 2.24 3.07 -1.98 0.09 114.58 119.91 2h3n h GLU 87 Ca 0.15 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2h3n h GLU 87 Cb -0.01 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.63 2h3n h GLU 87 CO -0.03 0.82 -0.07 1.49 -1.40 0.00 0.00 179.01 179.82 2h3n h GLU 88 N 1.25 -0.18 -0.87 2.33 4.81 -1.68 -2.92 114.58 117.32 2h3n h GLU 88 Ca 0.33 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2h3n h GLU 88 Cb -0.12 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2h3n h GLU 88 CO -0.07 -0.04 0.48 -0.07 -0.73 0.00 0.00 179.01 178.58 2h3n h LEU 89 N -0.29 1.09 -0.31 1.64 3.38 -0.49 -0.84 115.31 119.50 2h3n h LEU 89 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2h3n h LEU 89 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2h3n h LEU 89 CO 0.03 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.43 2h3n n GLN 90 N -4.34 0.05 -0.49 1.13 6.02 -0.02 -0.73 117.38 119.00 2h3n n GLN 90 Ca 0.09 0.40 0.08 0.00 -0.01 0.00 0.00 57.00 57.56 2h3n n GLN 90 Cb 0.10 -1.63 0.28 0.00 1.02 0.00 0.00 30.24 30.01 2h3n n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h3n n ALA 91 N -1.59 3.09 -3.56 -1.58 0.00 -0.40 -4.96 120.51 111.52 2h3n n ALA 91 Ca 0.02 -2.28 -0.22 0.00 0.00 0.00 0.00 53.44 50.96 2h3n n ALA 91 Cb 0.12 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 18.86 2h3n n ALA 91 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2h3n n ASN 92 N -0.40 -3.73 -3.75 0.00 5.15 0.09 -5.00 115.26 107.63 2h3n n ASN 92 Ca 0.22 -0.83 -0.13 0.00 -0.60 0.00 0.00 54.58 53.23 2h3n n ASN 92 Cb 0.93 -4.24 -0.09 0.00 -0.53 0.00 0.00 39.78 35.85 2h3n n ASN 92 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2h3n s LYS 93 N -5.53 0.62 -0.11 1.20 2.20 -0.73 -4.76 119.74 112.63 2h3n s LYS 93 Ca 0.25 -0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.77 2h3n s LYS 93 Cb -0.06 0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 2h3n s LYS 93 CO 0.80 -0.16 0.28 0.00 -0.36 0.00 0.00 175.35 175.91 2h3n s ALA 94 N -0.97 -0.66 -0.08 3.13 0.00 -1.20 -2.69 121.76 119.28 2h3n s ALA 94 Ca -0.10 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 2h3n s ALA 94 Cb -0.04 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.49 2h3n s ALA 94 CO 0.04 -0.19 0.20 0.99 0.00 0.00 0.00 175.76 176.80 2h3n s THR 95 N 0.98 -0.03 -0.10 0.00 2.01 -1.26 -1.22 115.64 116.01 2h3n s THR 95 Ca -0.07 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2h3n s THR 95 Cb -0.08 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2h3n s THR 95 CO -0.07 0.04 0.05 -0.76 -0.69 0.00 0.00 174.62 173.20 2h3n s LEU 96 N 0.85 3.88 -0.06 4.42 1.02 0.09 -3.24 118.68 125.64 2h3n s LEU 96 Ca -0.06 0.26 0.03 0.00 0.02 0.00 0.00 54.13 54.37 2h3n s LEU 96 Cb -0.08 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.23 2h3n s LEU 96 CO -0.05 0.38 -0.13 -0.69 0.02 0.00 0.00 176.35 175.88 2h3n s VAL 97 N -0.89 1.19 -0.34 -1.59 1.01 -0.85 -0.96 120.40 117.97 2h3n s VAL 97 Ca 0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2h3n s VAL 97 Cb -0.12 -1.07 0.06 0.00 0.00 0.00 0.00 36.38 35.26 2h3n s VAL 97 CO 0.03 0.36 0.08 0.00 0.00 0.00 0.00 175.10 175.57 2h3n s LEU 99 N 1.27 4.16 -0.16 0.00 2.96 0.11 -1.36 118.68 125.66 2h3n s LEU 99 Ca -0.01 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2h3n s LEU 99 Cb -0.21 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.19 2h3n s LEU 99 CO -0.01 0.02 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.83 2h3n s MET 100 N 0.99 2.68 0.14 1.98 -1.94 0.01 -0.39 119.30 122.77 2h3n s MET 100 Ca 0.14 -0.71 -0.01 0.00 -1.71 0.00 0.00 55.69 53.40 2h3n s MET 100 Cb -0.14 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 2h3n s MET 100 CO 0.05 -0.20 0.05 0.54 -0.01 0.00 0.00 175.02 175.46 2h3n s ASN 101 N 1.32 0.40 -1.10 3.03 2.20 -0.94 -0.23 114.94 119.61 2h3n s ASN 101 Ca 0.04 -1.21 -0.02 0.00 -0.94 0.00 0.00 52.86 50.72 2h3n s ASN 101 Cb -0.13 0.28 -0.02 0.00 -2.00 0.00 0.00 41.25 39.37 2h3n s ASN 101 CO -0.11 -0.72 0.94 0.47 -2.94 0.00 0.00 177.10 174.74 2h3n n ASP 102 N -0.12 -3.59 -4.24 3.54 8.00 0.10 -1.81 116.55 118.43 2h3n n ASP 102 Ca -0.05 -0.63 -0.24 0.00 0.71 0.00 0.00 54.79 54.59 2h3n n ASP 102 Cb 0.64 -4.99 -0.13 0.00 -0.02 0.00 0.00 41.12 36.62 2h3n n ASP 102 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2h3n s PHE 103 N -3.36 1.67 -0.14 1.24 -0.71 -0.99 -4.41 117.98 111.28 2h3n s PHE 103 Ca 0.15 -0.39 -0.10 0.00 -1.04 0.00 0.00 56.93 55.55 2h3n s PHE 103 Cb -0.02 -0.96 0.05 0.00 -1.21 0.00 0.00 43.02 40.87 2h3n s PHE 103 CO 0.71 0.12 0.36 -0.47 -1.34 0.00 0.00 175.22 174.60 2h3n s TYR 104 N -0.97 -0.47 1.38 3.49 6.14 -0.65 -0.99 117.35 125.28 2h3n s TYR 104 Ca 0.05 1.07 -0.21 0.00 0.64 0.00 0.00 57.07 58.63 2h3n s TYR 104 Cb -0.09 0.17 0.35 0.00 0.42 0.00 0.00 41.96 42.82 2h3n s TYR 104 CO 0.03 -0.26 0.95 -2.14 0.64 0.00 0.00 175.55 174.76 2h3n s PRO 105 N 0.83 -2.59 -0.36 4.97 0.02 -1.26 -0.97 135.00 135.64 2h3n s PRO 105 Ca -0.05 0.27 0.00 0.00 0.02 0.00 0.00 61.00 61.24 2h3n s PRO 105 Cb -0.06 -1.41 0.34 0.00 0.02 0.00 0.00 34.50 33.39 2h3n s PRO 105 CO -0.06 -4.69 1.85 0.41 -0.33 0.00 0.00 177.00 174.18 2h3n n GLY 106 N 1.29 4.20 3.14 0.52 0.00 -1.26 -4.88 105.19 108.19 2h3n n GLY 106 Ca 0.11 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 2h3n n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h3n s ILE 107 N -2.64 1.83 0.26 -0.61 1.01 -1.26 -4.84 121.20 114.95 2h3n s ILE 107 Ca 0.39 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2h3n s ILE 107 Cb 0.31 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 41.19 2h3n s ILE 107 CO 0.02 0.51 0.68 -1.48 0.00 0.00 0.00 174.94 174.68 2h3n s LEU 108 N 0.73 -0.27 0.06 2.97 0.05 -1.26 -4.58 118.68 116.38 2h3n s LEU 108 Ca -0.11 -0.53 0.04 0.00 0.05 0.00 0.00 54.13 53.59 2h3n s LEU 108 Cb -0.16 2.65 -0.03 0.00 -2.05 0.00 0.00 46.19 46.60 2h3n s LEU 108 CO 0.01 -1.27 -0.12 0.42 -0.55 0.00 0.00 176.35 174.84 2h3n s THR 109 N -3.90 0.90 -0.01 5.48 -4.23 -0.88 -4.99 115.64 108.01 2h3n s THR 109 Ca 0.10 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 2h3n s THR 109 Cb -0.05 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 2h3n s THR 109 CO 0.04 -0.27 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.01 2h3n s VAL 110 N -1.29 1.16 -0.11 2.29 1.01 -1.26 -0.50 120.40 121.70 2h3n s VAL 110 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2h3n s VAL 110 Cb -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.32 2h3n s VAL 110 CO 0.02 0.30 -0.12 -0.89 0.00 0.00 0.00 175.10 174.40 2h3n s THR 111 N -0.40 1.27 0.05 3.92 2.01 0.05 -4.96 115.64 117.58 2h3n s THR 111 Ca 0.05 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 2h3n s THR 111 Cb -0.06 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.19 2h3n s THR 111 CO -0.00 0.40 0.42 0.26 -0.69 0.00 0.00 174.62 175.01 2h3n s TRP 112 N 1.26 3.66 0.04 4.92 0.52 -1.26 -0.78 118.94 127.29 2h3n s TRP 112 Ca -0.02 0.92 0.05 0.00 0.02 0.00 0.00 56.10 57.07 2h3n s TRP 112 Cb -0.14 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 2h3n s TRP 112 CO -0.04 0.57 -0.13 0.15 0.02 0.00 0.00 176.95 177.51 2h3n s LYS 113 N -1.52 0.88 -0.23 4.98 1.02 -0.54 0.04 119.74 124.37 2h3n s LYS 113 Ca 0.29 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.55 2h3n s LYS 113 Cb -0.15 -0.87 0.05 0.00 -0.52 0.00 0.00 37.83 36.33 2h3n s LYS 113 CO 0.16 0.21 -0.14 0.00 -0.92 0.00 0.00 175.35 174.67 2h3n s ALA 114 N -0.89 2.45 -1.45 5.17 0.00 0.58 0.15 121.76 127.76 2h3n s ALA 114 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.31 2h3n s ALA 114 Cb -0.08 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.63 2h3n s ALA 114 CO 0.01 -0.92 0.92 -0.25 0.00 0.00 0.00 175.76 175.52 2h3n n ASP 115 N 4.51 -5.63 0.00 0.00 8.00 0.42 -1.54 116.55 122.31 2h3n n ASP 115 Ca -0.16 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2h3n n ASP 115 Cb 0.45 -4.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 2h3n n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h3n n GLY 116 N -1.72 2.00 3.61 0.44 0.00 -1.26 -5.02 105.19 103.24 2h3n n GLY 116 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2h3n n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h3n s THR 117 N -2.95 5.08 0.49 2.61 2.01 -0.59 -5.00 115.64 117.29 2h3n s THR 117 Ca 0.00 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 2h3n s THR 117 Cb 0.00 -3.36 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 2h3n s THR 117 CO 0.00 0.35 1.19 -2.65 -0.69 0.00 0.00 174.62 172.82 2h3n n PRO 118 N 4.34 1.56 -3.74 4.92 -0.02 -1.26 -0.31 135.00 140.49 2h3n n PRO 118 Ca -0.15 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.68 2h3n n PRO 118 Cb 0.52 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2h3n n PRO 118 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2h3n s ILE 119 N -1.30 3.34 0.00 4.25 1.01 0.11 -4.82 121.20 123.78 2h3n s ILE 119 Ca 0.67 -1.35 0.09 0.00 0.00 0.00 0.00 60.65 60.05 2h3n s ILE 119 Cb -0.47 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.00 2h3n s ILE 119 CO 0.53 -0.13 0.97 0.41 0.00 0.00 0.00 174.94 176.72 2h3n n THR 120 N -1.42 0.00 -3.59 2.92 -1.04 -1.26 -4.75 114.28 105.13 2h3n n THR 120 Ca -0.00 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.05 61.56 2h3n n THR 120 Cb 0.60 0.58 -0.06 0.00 -1.82 0.00 0.00 70.33 69.63 2h3n n THR 120 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2h3n s GLN 121 N 0.00 0.63 0.00 -2.82 0.74 -1.26 -4.92 119.66 112.03 2h3n s GLN 121 Ca 0.11 0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.87 2h3n s GLN 121 Cb 0.13 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.54 2h3n s GLN 121 CO -0.06 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2h3n n GLY 122 N 1.32 1.08 3.69 2.59 0.00 -1.26 -4.93 105.19 107.68 2h3n n GLY 122 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2h3n n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h3n s VAL 123 N -3.16 5.14 0.19 1.61 1.01 -1.26 -3.17 120.40 120.76 2h3n s VAL 123 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 61.98 62.96 2h3n s VAL 123 Cb 0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2h3n s VAL 123 CO 0.00 0.25 0.05 -1.61 0.00 0.00 0.00 175.10 173.79 2h3n s GLU 124 N 1.16 1.15 -0.23 2.72 0.41 -1.02 -5.02 118.70 117.86 2h3n s GLU 124 Ca 0.25 -1.58 -0.11 0.00 -0.41 0.00 0.00 54.97 53.12 2h3n s GLU 124 Cb -0.15 -0.09 0.08 0.00 -1.78 0.00 0.00 34.13 32.18 2h3n s GLU 124 CO 0.10 -0.23 0.54 1.41 -0.49 0.00 0.00 175.26 176.59 2h3n s MET 125 N -4.00 0.52 0.63 1.61 1.75 -1.26 -1.69 119.30 116.86 2h3n s MET 125 Ca 0.29 1.06 -0.16 0.00 -1.25 0.00 0.00 55.69 55.62 2h3n s MET 125 Cb 0.07 0.19 -0.01 0.00 2.84 0.00 0.00 34.83 37.91 2h3n s MET 125 CO 0.07 -0.17 1.14 0.95 -0.65 0.00 0.00 175.02 176.35 2h3n s THR 126 N 1.83 3.05 0.26 10.11 -4.23 0.45 -4.98 115.64 122.13 2h3n s THR 126 Ca -0.08 0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 60.68 2h3n s THR 126 Cb -0.08 -3.11 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 2h3n s THR 126 CO -0.16 -0.24 1.17 -0.89 -0.54 0.00 0.00 174.62 173.95 2h3n s THR 127 N -2.08 3.37 0.16 3.99 2.01 -1.26 -4.33 115.64 117.51 2h3n s THR 127 Ca 0.70 1.30 -0.31 0.00 0.31 0.00 0.00 61.69 63.69 2h3n s THR 127 Cb -0.23 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 2h3n s THR 127 CO 0.37 0.28 1.75 -2.84 -0.69 0.00 0.00 174.62 173.49 2h3n s PRO 128 N -1.10 4.14 -0.03 4.92 0.02 -1.26 -4.77 135.00 136.92 2h3n s PRO 128 Ca 0.48 2.56 0.03 0.00 0.02 0.00 0.00 61.00 64.10 2h3n s PRO 128 Cb -0.34 -3.33 -0.00 0.00 0.02 0.00 0.00 34.50 30.86 2h3n s PRO 128 CO 0.42 -0.77 -0.13 -1.54 -0.33 0.00 0.00 177.00 174.65 2h3n s SER 129 N 1.88 1.61 0.03 2.53 1.04 -0.60 -4.92 113.70 115.27 2h3n s SER 129 Ca 0.77 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.64 2h3n s SER 129 Cb -0.47 -0.42 -0.07 0.00 0.10 0.00 0.00 66.02 65.16 2h3n s SER 129 CO 0.34 0.11 1.48 -0.75 0.98 0.00 0.00 173.24 175.40 2h3n s LYS 130 N 0.10 4.26 0.76 4.02 2.20 -1.26 -2.43 119.74 127.38 2h3n s LYS 130 Ca -0.03 2.10 -0.03 0.00 -0.36 0.00 0.00 55.97 57.65 2h3n s LYS 130 Cb -0.09 -3.55 0.14 0.00 -1.51 0.00 0.00 37.83 32.81 2h3n s LYS 130 CO 0.01 -0.62 1.04 -0.65 -0.36 0.00 0.00 175.35 174.77 2h3n s GLN 131 N 2.38 1.52 0.47 4.03 -0.21 0.14 -4.94 119.66 123.05 2h3n s GLN 131 Ca 0.67 -1.06 0.15 0.00 0.02 0.00 0.00 55.36 55.15 2h3n s GLN 131 Cb -0.35 -2.27 1.14 0.00 1.00 0.00 0.00 33.01 32.53 2h3n s GLN 131 CO 0.29 -1.59 2.05 0.66 -2.12 0.00 0.00 175.29 174.58 2h3n h SER 132 N -0.68 0.21 -0.12 5.90 4.64 -1.95 -0.84 113.55 120.71 2h3n h SER 132 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2h3n h SER 132 Cb 1.26 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2h3n h SER 132 CO 0.39 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 2h3n n ASN 133 N -4.47 0.93 0.00 4.97 2.04 -1.26 -4.87 115.26 112.59 2h3n n ASN 133 Ca 0.05 -2.04 0.00 0.00 -0.44 0.00 0.00 54.58 52.15 2h3n n ASN 133 Cb 0.28 -0.18 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 2h3n n ASN 133 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2h3n n ASN 134 N -0.08 -2.61 -4.83 0.53 3.02 -0.32 -4.99 115.26 105.97 2h3n n ASN 134 Ca 0.04 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.38 2h3n n ASN 134 Cb 0.17 -1.79 -0.04 0.00 -0.61 0.00 0.00 39.78 37.51 2h3n n ASN 134 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2h3n s LYS 135 N -0.85 2.70 0.48 3.52 1.02 -1.26 -4.82 119.74 120.54 2h3n s LYS 135 Ca 0.00 -1.30 0.04 0.00 0.02 0.00 0.00 55.97 54.73 2h3n s LYS 135 Cb 0.00 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2h3n s LYS 135 CO 0.00 0.13 0.67 0.71 -0.92 0.00 0.00 175.35 175.94 2h3n s TYR 136 N -2.30 2.89 0.06 3.18 1.51 -0.16 -0.69 117.35 121.85 2h3n s TYR 136 Ca 0.39 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 56.18 2h3n s TYR 136 Cb -0.06 -2.53 0.02 0.00 -0.11 0.00 0.00 41.96 39.29 2h3n s TYR 136 CO 0.26 -0.60 0.30 0.00 -1.11 0.00 0.00 175.55 174.39 2h3n s ALA 137 N -2.55 -0.65 0.05 3.71 0.00 -1.02 0.00 121.76 121.30 2h3n s ALA 137 Ca 0.55 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 2h3n s ALA 137 Cb -0.10 0.39 0.09 0.00 0.00 0.00 0.00 23.12 23.50 2h3n s ALA 137 CO 0.36 -0.45 1.01 0.00 0.00 0.00 0.00 175.76 176.67 2h3n s ALA 138 N -2.88 -1.83 -0.01 0.00 0.00 0.68 -1.56 121.76 116.15 2h3n s ALA 138 Ca -0.03 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 2h3n s ALA 138 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2h3n s ALA 138 CO -0.05 -0.90 0.13 -1.54 0.00 0.00 0.00 175.76 173.40 2h3n s SER 139 N -2.74 0.01 0.06 0.00 1.04 -1.26 -0.81 113.70 110.00 2h3n s SER 139 Ca 0.10 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.45 2h3n s SER 139 Cb -0.00 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2h3n s SER 139 CO -0.03 -0.31 -0.19 -0.55 0.98 0.00 0.00 173.24 173.14 2h3n s SER 140 N -1.16 2.28 0.07 7.02 0.15 -0.46 -0.41 113.70 121.20 2h3n s SER 140 Ca -0.12 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2h3n s SER 140 Cb -0.07 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 2h3n s SER 140 CO 0.01 0.09 -0.04 -0.72 1.20 0.00 0.00 173.24 173.78 2h3n s TYR 141 N -0.93 0.70 -0.11 3.44 1.13 -0.68 -0.07 117.35 120.83 2h3n s TYR 141 Ca 0.05 -1.00 -0.01 0.00 -1.41 0.00 0.00 57.07 54.70 2h3n s TYR 141 Cb -0.09 -0.45 0.03 0.00 -1.10 0.00 0.00 41.96 40.35 2h3n s TYR 141 CO 0.02 -0.28 -0.04 -1.17 -2.51 0.00 0.00 175.55 171.57 2h3n s LEU 142 N -2.98 1.03 -0.13 -3.49 2.96 -0.14 -2.44 118.68 113.49 2h3n s LEU 142 Ca 0.10 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.53 2h3n s LEU 142 Cb 0.07 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 2h3n s LEU 142 CO -0.07 -0.16 0.49 -0.55 -1.32 0.00 0.00 176.35 174.74 2h3n s SER 143 N 1.80 6.67 0.28 3.68 0.15 -1.19 -0.73 113.70 124.36 2h3n s SER 143 Ca 0.04 0.80 0.02 0.00 0.70 0.00 0.00 55.95 57.52 2h3n s SER 143 Cb -0.13 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2h3n s SER 143 CO -0.07 -0.03 0.11 -0.76 1.20 0.00 0.00 173.24 173.68 2h3n s LEU 144 N 0.80 1.72 0.27 3.45 1.43 -0.36 -4.89 118.68 121.09 2h3n s LEU 144 Ca 0.26 -1.44 0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2h3n s LEU 144 Cb -0.15 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 2h3n s LEU 144 CO 0.10 -0.76 0.45 0.42 0.23 0.00 0.00 176.35 176.79 2h3n s THR 145 N -3.65 5.18 0.52 5.49 -4.23 -1.26 -3.26 115.64 114.43 2h3n s THR 145 Ca 0.36 -0.56 0.19 0.00 -1.18 0.00 0.00 61.69 60.51 2h3n s THR 145 Cb 0.07 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.40 2h3n s THR 145 CO 0.15 -0.37 2.11 -0.65 -0.54 0.00 0.00 174.62 175.32 2h3n h PRO 146 N 1.29 0.00 -0.01 3.99 0.11 -1.86 -0.83 132.00 134.69 2h3n h PRO 146 Ca -0.50 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2h3n h PRO 146 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2h3n h PRO 146 CO 0.64 0.00 -0.77 0.93 -0.21 0.00 0.00 178.00 178.59 2h3n h GLU 147 N 0.00 0.08 -0.14 1.05 3.07 -1.98 -2.78 114.58 113.88 2h3n h GLU 147 Ca 0.07 -0.07 -0.22 0.00 -0.50 0.00 0.00 59.36 58.63 2h3n h GLU 147 Cb 0.28 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2h3n h GLU 147 CO -0.00 0.81 -0.78 1.96 -1.40 0.00 0.00 179.01 179.60 2h3n h GLN 148 N 0.05 0.76 0.00 2.33 4.20 -1.57 -0.97 115.11 119.89 2h3n h GLN 148 Ca -0.02 -0.62 -0.05 0.00 0.06 0.00 0.00 58.65 58.03 2h3n h GLN 148 Cb 1.35 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 2h3n h GLN 148 CO 0.11 1.23 -0.22 2.35 -0.67 0.00 0.00 178.83 181.62 2h3n h TRP 149 N 0.51 0.00 -0.01 2.96 2.91 -1.26 -2.65 115.95 118.42 2h3n h TRP 149 Ca -0.05 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.97 2h3n h TRP 149 Cb 1.40 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.05 2h3n h TRP 149 CO 0.08 0.22 -0.69 0.54 -1.03 0.00 0.00 178.44 177.57 2h3n n ARG 150 N -4.10 0.56 0.16 2.65 1.74 -1.05 -4.21 116.66 112.42 2h3n n ARG 150 Ca -0.02 -0.45 0.05 0.00 -0.77 0.00 0.00 57.85 56.66 2h3n n ARG 150 Cb 0.29 -1.49 0.12 0.00 -1.02 0.00 0.00 32.46 30.36 2h3n n ARG 150 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2h3n h SER 151 N 1.10 0.00 -2.62 0.55 4.64 -0.80 -3.46 113.55 112.96 2h3n h SER 151 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2h3n h SER 151 Cb 0.61 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 2h3n h SER 151 CO 0.00 0.39 -0.52 -0.13 -0.87 0.00 0.00 176.83 175.69 2h3n s ARG 152 N -3.12 3.11 0.20 4.77 1.81 -1.22 -5.00 118.95 119.51 2h3n s ARG 152 Ca 0.04 -0.77 0.12 0.00 -1.72 0.00 0.00 55.73 53.40 2h3n s ARG 152 Cb 0.08 -2.77 -0.05 0.00 -0.45 0.00 0.00 34.95 31.76 2h3n s ARG 152 CO 0.72 0.49 1.33 0.00 -0.68 0.00 0.00 175.30 177.16 2h3n h ARG 153 N 2.26 0.00 -2.28 3.54 3.08 -1.91 -3.44 114.38 115.63 2h3n h ARG 153 Ca -0.48 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.61 2h3n h ARG 153 Cb 1.20 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.08 2h3n h ARG 153 CO 0.65 0.65 0.38 -1.54 -1.07 0.00 0.00 179.97 179.04 2h3n s SER 154 N -6.49 -0.47 0.04 7.04 1.04 -1.26 -4.64 113.70 108.96 2h3n s SER 154 Ca 0.02 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.70 2h3n s SER 154 Cb 0.08 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 2h3n s SER 154 CO 0.78 -0.65 -0.14 -0.31 0.98 0.00 0.00 173.24 173.89 2h3n s TYR 155 N -2.57 1.26 0.10 5.02 2.02 -0.73 -0.44 117.35 122.01 2h3n s TYR 155 Ca -0.00 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 2h3n s TYR 155 Cb -0.01 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 2h3n s TYR 155 CO -0.05 0.04 -0.11 -1.12 -1.57 0.00 0.00 175.55 172.74 2h3n s SER 156 N -1.12 1.53 -0.21 2.29 0.01 0.12 -1.71 113.70 114.61 2h3n s SER 156 Ca 0.02 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2h3n s SER 156 Cb -0.08 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.20 2h3n s SER 156 CO 0.01 -0.25 -0.06 0.00 0.41 0.00 0.00 173.24 173.35 2h3n s GLN 158 N 1.46 2.50 -0.21 0.00 0.74 0.04 -1.97 119.66 122.22 2h3n s GLN 158 Ca -0.03 -1.33 -0.12 0.00 0.05 0.00 0.00 55.36 53.93 2h3n s GLN 158 Cb -0.17 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 2h3n s GLN 158 CO -0.07 -0.76 0.20 0.08 -0.55 0.00 0.00 175.29 174.19 2h3n s VAL 159 N 1.35 5.35 -0.18 1.34 1.01 0.06 -0.77 120.40 128.55 2h3n s VAL 159 Ca -0.00 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 2h3n s VAL 159 Cb -0.21 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2h3n s VAL 159 CO 0.01 0.38 -0.10 -0.04 0.00 0.00 0.00 175.10 175.34 2h3n s MET 160 N 0.73 3.30 -0.29 2.72 -1.94 0.34 -1.20 119.30 122.96 2h3n s MET 160 Ca 0.11 -0.69 -0.02 0.00 -1.71 0.00 0.00 55.69 53.37 2h3n s MET 160 Cb -0.13 -2.80 0.10 0.00 2.01 0.00 0.00 34.83 34.01 2h3n s MET 160 CO 0.02 -0.08 0.11 -1.58 -0.01 0.00 0.00 175.02 173.48 2h3n s HIS 161 N 1.10 1.00 -1.42 -0.03 2.46 -0.31 -2.08 115.29 116.01 2h3n s HIS 161 Ca 0.00 -1.24 -0.03 0.00 0.47 0.00 0.00 55.06 54.26 2h3n s HIS 161 Cb -0.15 -1.27 0.02 0.00 -0.13 0.00 0.00 32.58 31.06 2h3n s HIS 161 CO -0.03 -0.82 0.56 0.39 -2.47 0.00 0.00 174.74 172.37 2h3n n GLU 162 N 5.05 -3.82 -0.41 2.88 1.02 -1.26 -1.92 120.64 122.18 2h3n n GLU 162 Ca -0.04 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2h3n n GLU 162 Cb 0.43 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.04 2h3n n GLU 162 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h3n n GLY 163 N -1.81 0.75 3.44 0.62 0.00 -1.26 -5.04 105.19 101.88 2h3n n GLY 163 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2h3n n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h3n s SER 164 N -2.49 3.60 -0.05 1.61 0.01 -0.81 -5.13 113.70 110.45 2h3n s SER 164 Ca 0.00 -0.66 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 2h3n s SER 164 Cb 0.00 -0.38 0.04 0.00 0.21 0.00 0.00 66.02 65.88 2h3n s SER 164 CO 0.00 0.18 0.11 -0.89 0.41 0.00 0.00 173.24 173.04 2h3n s THR 165 N -1.13 -0.05 -0.04 1.44 2.01 -1.26 -1.16 115.64 115.44 2h3n s THR 165 Ca 0.16 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.36 2h3n s THR 165 Cb -0.10 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.25 2h3n s THR 165 CO 0.08 0.08 -0.02 0.54 -0.69 0.00 0.00 174.62 174.61 2h3n s VAL 166 N 1.12 0.35 -0.07 3.82 0.11 -0.34 -5.00 120.40 120.38 2h3n s VAL 166 Ca -0.09 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 2h3n s VAL 166 Cb -0.12 -0.42 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2h3n s VAL 166 CO -0.05 0.19 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.07 2h3n s GLU 167 N 1.08 1.99 0.20 1.54 2.12 -1.26 -0.76 118.70 123.61 2h3n s GLU 167 Ca -0.09 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 54.81 2h3n s GLU 167 Cb -0.14 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.61 2h3n s GLU 167 CO -0.01 0.05 0.01 0.15 -0.54 0.00 0.00 175.26 174.92 2h3n s LYS 168 N 0.63 2.41 0.01 4.30 -0.14 -0.83 -4.97 119.74 121.15 2h3n s LYS 168 Ca -0.15 -1.17 0.01 0.00 -1.36 0.00 0.00 55.97 53.30 2h3n s LYS 168 Cb -0.16 -2.33 -0.01 0.00 -1.68 0.00 0.00 37.83 33.65 2h3n s LYS 168 CO 0.04 0.43 -0.04 0.99 -0.76 0.00 0.00 175.35 176.02 2h3n s THR 169 N -1.89 0.26 0.08 2.17 2.01 -1.26 -1.58 115.64 115.44 2h3n s THR 169 Ca 0.29 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.76 2h3n s THR 169 Cb -0.09 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 2h3n s THR 169 CO 0.19 -0.20 -0.11 0.68 -0.69 0.00 0.00 174.62 174.49 2h3n s VAL 170 N -0.76 0.94 -0.03 3.82 -7.23 -0.69 -5.00 120.40 111.44 2h3n s VAL 170 Ca -0.06 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 2h3n s VAL 170 Cb -0.06 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.72 2h3n s VAL 170 CO -0.00 -0.43 0.13 0.00 -0.31 0.00 0.00 175.10 174.49 2h3n s ALA 171 N -1.94 -0.32 -1.52 1.32 0.00 -1.26 -1.78 121.76 116.25 2h3n s ALA 171 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2h3n s ALA 171 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2h3n s ALA 171 CO 0.01 -0.12 0.38 -2.30 0.00 0.00 0.00 175.76 173.73