#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pab h PRO 11 N 0.00 0.00 -3.75 0.00 0.11 -1.89 -3.44 132.00 123.03 2pab h PRO 11 Ca 0.00 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.69 2pab h PRO 11 Cb 0.00 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 30.74 2pab h PRO 11 CO 0.00 0.35 -0.77 -1.17 -0.21 0.00 0.00 178.00 176.20 2pab s LEU 12 N -6.68 0.78 0.05 2.35 2.96 -1.26 0.68 118.68 117.57 2pab s LEU 12 Ca 0.02 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2pab s LEU 12 Cb 0.09 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 2pab s LEU 12 CO 0.69 -0.16 -0.10 -0.32 -1.32 0.00 0.00 176.35 175.14 2pab s MET 13 N 1.67 0.63 0.04 1.98 1.75 0.20 -4.66 119.30 120.91 2pab s MET 13 Ca 0.00 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.67 2pab s MET 13 Cb -0.13 -0.47 -0.02 0.00 2.84 0.00 0.00 34.83 37.05 2pab s MET 13 CO -0.04 0.10 -0.14 0.08 -0.65 0.00 0.00 175.02 174.36 2pab s VAL 14 N -1.34 1.14 -0.01 10.11 1.01 -1.08 -0.34 120.40 129.90 2pab s VAL 14 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2pab s VAL 14 Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2pab s VAL 14 CO 0.01 -0.02 -0.01 -0.75 0.00 0.00 0.00 175.10 174.34 2pab s LYS 15 N -1.23 0.14 -0.02 2.72 2.20 -0.01 -1.84 119.74 121.71 2pab s LYS 15 Ca 0.01 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 2pab s LYS 15 Cb -0.08 -0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.03 2pab s LYS 15 CO 0.01 -0.04 -0.02 0.08 -0.36 0.00 0.00 175.35 175.03 2pab s VAL 16 N 0.38 0.28 0.20 4.02 1.01 0.52 -0.34 120.40 126.47 2pab s VAL 16 Ca -0.03 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.01 2pab s VAL 16 Cb -0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2pab s VAL 16 CO -0.01 0.14 -0.22 -0.76 0.00 0.00 0.00 175.10 174.25 2pab s LEU 17 N 0.59 2.46 -0.26 3.92 1.43 -0.38 -0.91 118.68 125.54 2pab s LEU 17 Ca -0.06 -0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2pab s LEU 17 Cb -0.09 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.07 2pab s LEU 17 CO -0.01 0.07 -0.04 -0.62 0.23 0.00 0.00 176.35 175.99 2pab s ASP 18 N -2.81 4.46 0.49 2.29 3.68 0.62 -1.32 116.67 124.08 2pab s ASP 18 Ca 0.21 -0.85 0.28 0.00 2.13 0.00 0.00 52.55 54.32 2pab s ASP 18 Cb -0.07 -1.70 0.82 0.00 -1.45 0.00 0.00 42.92 40.52 2pab s ASP 18 CO 0.10 -0.14 1.78 0.00 0.13 0.00 0.00 175.17 177.04 2pab h ALA 19 N 8.05 1.00 0.09 3.66 0.00 -1.45 0.18 119.26 130.78 2pab h ALA 19 Ca -0.32 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.33 2pab h ALA 19 Cb 1.11 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2pab h ALA 19 CO 0.58 0.01 -1.03 0.28 0.00 0.00 0.00 179.25 179.08 2pab h VAL 20 N 0.00 1.34 0.00 0.00 2.07 -1.94 -3.36 116.25 114.36 2pab h VAL 20 Ca -0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2pab h VAL 20 Cb 0.78 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2pab h VAL 20 CO 0.00 0.71 -1.59 0.54 0.02 0.00 0.00 177.57 177.25 2pab n ARG 21 N -3.94 0.60 -2.79 1.57 1.74 -1.22 -5.01 116.66 107.61 2pab n ARG 21 Ca -0.13 -0.12 -0.09 0.00 -0.77 0.00 0.00 57.85 56.74 2pab n ARG 21 Cb 0.89 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.91 2pab n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pab n GLY 22 N 1.39 0.12 3.52 -0.13 0.00 0.60 -5.04 105.19 105.65 2pab n GLY 22 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 2pab n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pab s SER 23 N -3.49 -0.04 0.64 1.61 1.04 -0.99 -5.00 113.70 107.47 2pab s SER 23 Ca 0.09 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 2pab s SER 23 Cb -0.04 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2pab s SER 23 CO 0.35 -1.09 1.23 -2.84 0.98 0.00 0.00 173.24 171.87 2pab s PRO 24 N -4.04 2.65 -0.39 4.02 0.02 -1.26 -0.28 135.00 135.72 2pab s PRO 24 Ca 0.26 1.85 -0.15 0.00 0.02 0.00 0.00 61.00 62.98 2pab s PRO 24 Cb 0.01 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.65 2pab s PRO 24 CO 0.10 -1.46 0.30 0.00 -0.33 0.00 0.00 177.00 175.60 2pab s ALA 25 N -1.67 3.48 0.08 -1.55 0.00 -0.08 -4.63 121.76 117.39 2pab s ALA 25 Ca 0.78 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2pab s ALA 25 Cb -0.31 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2pab s ALA 25 CO 0.38 -1.35 0.10 0.42 0.00 0.00 0.00 175.76 175.31 2pab s ILE 26 N 1.72 4.70 -1.24 0.00 1.01 -1.26 -4.25 121.20 121.87 2pab s ILE 26 Ca 0.06 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 2pab s ILE 26 Cb -0.19 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2pab s ILE 26 CO 0.10 0.13 0.05 0.59 0.00 0.00 0.00 174.94 175.81 2pab n ASN 27 N 0.42 -4.51 -4.71 3.58 4.13 -0.50 -4.95 115.26 108.72 2pab n ASN 27 Ca -0.08 -0.04 -0.37 0.00 1.68 0.00 0.00 54.58 55.77 2pab n ASN 27 Cb 0.51 -3.63 -0.07 0.00 -1.54 0.00 0.00 39.78 35.06 2pab n ASN 27 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2pab s VAL 28 N -2.76 5.26 0.22 2.41 -7.23 -1.26 -4.78 120.40 112.25 2pab s VAL 28 Ca 0.02 0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 2pab s VAL 28 Cb -0.01 -3.69 -0.08 0.00 0.56 0.00 0.00 36.38 33.16 2pab s VAL 28 CO 0.03 0.34 1.12 0.00 -0.31 0.00 0.00 175.10 176.27 2pab s ALA 29 N 0.77 3.40 -0.05 1.32 0.00 -1.26 -1.82 121.76 124.11 2pab s ALA 29 Ca 0.18 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2pab s ALA 29 Cb -0.14 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2pab s ALA 29 CO 0.06 -0.22 -0.05 0.08 0.00 0.00 0.00 175.76 175.63 2pab s VAL 30 N -0.59 0.63 -0.04 0.00 1.01 -0.18 -0.60 120.40 120.63 2pab s VAL 30 Ca 0.48 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.36 2pab s VAL 30 Cb -0.31 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2pab s VAL 30 CO 0.38 0.25 -0.22 -1.00 0.00 0.00 0.00 175.10 174.51 2pab s HIS 31 N 1.02 2.47 -0.14 5.22 3.76 -0.15 -1.62 115.29 125.85 2pab s HIS 31 Ca -0.09 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2pab s HIS 31 Cb -0.14 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 2pab s HIS 31 CO -0.00 -0.01 -0.18 0.08 -0.85 0.00 0.00 174.74 173.78 2pab s VAL 32 N -0.54 2.49 0.06 -0.90 1.01 0.24 -1.14 120.40 121.62 2pab s VAL 32 Ca 0.07 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2pab s VAL 32 Cb -0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2pab s VAL 32 CO 0.00 0.53 -0.18 -0.36 0.00 0.00 0.00 175.10 175.09 2pab s PHE 33 N 0.72 2.56 -0.18 5.22 0.40 0.19 0.67 117.98 127.55 2pab s PHE 33 Ca -0.08 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2pab s PHE 33 Cb -0.16 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 41.95 2pab s PHE 33 CO 0.01 0.29 -0.17 0.50 0.70 0.00 0.00 175.22 176.55 2pab s ARG 34 N -1.64 3.08 -0.29 0.44 3.52 0.13 0.03 118.95 124.23 2pab s ARG 34 Ca 0.16 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.69 2pab s ARG 34 Cb -0.11 -2.64 -0.06 0.00 -1.56 0.00 0.00 34.95 30.59 2pab s ARG 34 CO 0.07 -0.17 2.27 1.17 -0.81 0.00 0.00 175.30 177.83 2pab n LYS 35 N 4.54 1.72 -0.97 5.12 4.81 0.25 -0.77 118.16 132.86 2pab n LYS 35 Ca -0.20 0.40 -0.30 0.00 -0.87 0.00 0.00 58.31 57.33 2pab n LYS 35 Cb 0.50 -3.27 0.25 0.00 0.02 0.00 0.00 35.03 32.54 2pab n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pab s ALA 36 N 9.26 0.39 0.54 3.14 0.00 0.19 -4.65 121.76 130.63 2pab s ALA 36 Ca 1.01 -0.95 0.24 0.00 0.00 0.00 0.00 51.96 52.26 2pab s ALA 36 Cb -0.31 -2.89 1.42 0.00 0.00 0.00 0.00 23.12 21.34 2pab s ALA 36 CO 0.33 -3.77 2.04 0.00 0.00 0.00 0.00 175.76 174.36 2pab h ALA 37 N -2.73 2.30 -0.75 0.00 0.00 -1.92 -3.29 119.26 112.87 2pab h ALA 37 Ca -0.44 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 2pab h ALA 37 Cb 1.30 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.94 2pab h ALA 37 CO 0.32 -0.49 0.38 -0.25 0.00 0.00 0.00 179.25 179.21 2pab n ASP 38 N -4.30 4.22 0.00 0.00 9.92 -1.26 -4.92 116.55 120.21 2pab n ASP 38 Ca 0.06 -3.21 0.00 0.00 -0.53 0.00 0.00 54.79 51.11 2pab n ASP 38 Cb 0.47 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 2pab n ASP 38 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2pab n ASP 39 N -0.42 0.00 -4.95 -2.24 2.03 -1.24 -5.05 116.55 104.69 2pab n ASP 39 Ca 0.43 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.50 2pab n ASP 39 Cb 1.38 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.75 2pab n ASP 39 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2pab s THR 40 N -2.82 5.26 -0.36 5.18 2.01 -1.26 -4.98 115.64 118.67 2pab s THR 40 Ca 0.00 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 2pab s THR 40 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.75 2pab s THR 40 CO 0.00 -0.18 0.56 0.26 -0.69 0.00 0.00 174.62 174.57 2pab s TRP 41 N -1.83 3.17 0.12 4.92 0.52 -1.26 0.53 118.94 125.11 2pab s TRP 41 Ca 0.34 0.22 -0.03 0.00 0.02 0.00 0.00 56.10 56.65 2pab s TRP 41 Cb -0.10 -3.01 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 2pab s TRP 41 CO 0.28 -0.59 0.33 -1.21 0.02 0.00 0.00 176.95 175.79 2pab s GLU 42 N 2.51 3.56 0.14 4.98 2.02 0.05 -4.85 118.70 127.10 2pab s GLU 42 Ca 0.21 -0.21 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 2pab s GLU 42 Cb -0.15 -2.91 -0.10 0.00 0.10 0.00 0.00 34.13 31.08 2pab s GLU 42 CO 0.14 0.51 1.64 -2.14 0.02 0.00 0.00 175.26 175.42 2pab s PRO 43 N -2.64 4.19 -0.01 0.39 0.02 -1.26 0.18 135.00 135.87 2pab s PRO 43 Ca 0.39 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.82 2pab s PRO 43 Cb -0.12 -3.32 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 2pab s PRO 43 CO 0.26 -0.68 -0.00 0.34 -0.33 0.00 0.00 177.00 176.58 2pab n PHE 44 N 4.62 0.00 -3.47 6.54 7.35 0.21 -4.80 117.46 127.92 2pab n PHE 44 Ca 0.15 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.70 2pab n PHE 44 Cb 0.39 -0.05 -0.04 0.00 0.35 0.00 0.00 39.48 40.13 2pab n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pab s ALA 45 N -2.02 -1.69 0.03 3.13 0.00 -0.91 -5.00 121.76 115.29 2pab s ALA 45 Ca -0.01 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 2pab s ALA 45 Cb 0.00 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2pab s ALA 45 CO 0.04 -0.60 0.31 0.45 0.00 0.00 0.00 175.76 175.95 2pab s SER 46 N -2.11 -0.15 -0.07 0.00 0.15 -1.26 0.82 113.70 111.07 2pab s SER 46 Ca -0.03 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 2pab s SER 46 Cb -0.01 0.35 0.10 0.00 -1.71 0.00 0.00 66.02 64.75 2pab s SER 46 CO -0.04 -0.57 1.35 -0.83 1.20 0.00 0.00 173.24 174.35 2pab s GLY 47 N -1.86 -0.20 0.06 9.45 0.00 -0.64 -4.89 107.32 109.24 2pab s GLY 47 Ca -0.07 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.85 2pab s GLY 47 CO -0.01 6.40 -0.15 0.54 0.00 0.00 0.00 173.10 179.88 2pab s LYS 48 N -2.01 0.93 0.43 2.90 1.02 -1.26 -1.01 119.74 120.74 2pab s LYS 48 Ca 0.31 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 2pab s LYS 48 Cb 0.00 -0.98 -0.08 0.00 -0.52 0.00 0.00 37.83 36.25 2pab s LYS 48 CO -0.02 0.23 1.26 0.95 -0.92 0.00 0.00 175.35 176.85 2pab s THR 49 N -1.07 2.75 0.84 2.17 -4.23 -0.76 -4.72 115.64 110.62 2pab s THR 49 Ca 0.01 0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 2pab s THR 49 Cb -0.09 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.51 2pab s THR 49 CO 0.02 0.06 1.20 -0.94 -0.54 0.00 0.00 174.62 174.42 2pab s SER 50 N -0.95 4.09 0.64 3.99 1.04 0.15 -1.41 113.70 121.25 2pab s SER 50 Ca 0.60 0.54 0.23 0.00 0.48 0.00 0.00 55.95 57.80 2pab s SER 50 Cb -0.35 -0.90 1.17 0.00 0.10 0.00 0.00 66.02 66.03 2pab s SER 50 CO 0.44 -2.14 1.65 -0.33 0.98 0.00 0.00 173.24 173.84 2pab h GLU 51 N -1.18 0.00 -0.65 4.02 3.07 -1.94 0.94 114.58 118.83 2pab h GLU 51 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2pab h GLU 51 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 2pab h GLU 51 CO 0.56 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 178.62 2pab n SER 52 N -3.08 4.12 0.00 1.42 2.88 -1.26 -4.80 113.62 112.89 2pab n SER 52 Ca 0.04 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 2pab n SER 52 Cb 0.73 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2pab n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pab n GLY 53 N 1.31 0.44 3.62 0.46 0.00 0.32 -4.81 105.19 106.53 2pab n GLY 53 Ca 0.23 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 2pab n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pab s GLU 54 N -1.20 2.39 -0.25 1.61 2.02 -1.25 -0.36 118.70 121.66 2pab s GLU 54 Ca 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 54.10 2pab s GLU 54 Cb 0.00 -2.44 0.08 0.00 0.10 0.00 0.00 34.13 31.87 2pab s GLU 54 CO 0.00 0.55 0.05 -1.17 0.02 0.00 0.00 175.26 174.71 2pab s LEU 55 N -2.01 1.73 -0.08 1.80 0.20 -0.76 0.34 118.68 119.90 2pab s LEU 55 Ca 0.22 -1.21 0.14 0.00 0.69 0.00 0.00 54.13 53.97 2pab s LEU 55 Cb -0.11 -0.76 -0.21 0.00 -0.43 0.00 0.00 46.19 44.68 2pab s LEU 55 CO 0.13 -0.35 0.20 1.41 -0.29 0.00 0.00 176.35 177.45 2pab n HIS 56 N 4.94 0.00 0.03 5.38 8.25 -1.26 -2.62 115.22 129.93 2pab n HIS 56 Ca -0.06 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 2pab n HIS 56 Cb 0.44 -0.53 0.09 0.00 1.12 0.00 0.00 29.99 31.11 2pab n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pab n GLY 57 N 1.86 -0.51 0.00 -1.41 0.00 -1.26 -4.62 105.19 99.25 2pab n GLY 57 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2pab n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pab n LEU 58 N -1.58 0.00 0.00 0.99 4.77 -1.26 -4.94 117.00 114.97 2pab n LEU 58 Ca -0.00 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 2pab n LEU 58 Cb 0.06 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2pab n LEU 58 CO 0.02 0.00 -0.09 1.07 -1.33 0.00 0.00 177.39 177.05 2pab n THR 59 N -0.22 0.00 -4.28 -5.08 5.66 -1.26 -4.86 114.28 104.24 2pab n THR 59 Ca 0.00 -1.67 -0.14 0.00 -3.05 0.00 0.00 64.05 59.19 2pab n THR 59 Cb 0.00 0.71 -0.04 0.00 -1.55 0.00 0.00 70.33 69.45 2pab n THR 59 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2pab n THR 60 N -0.54 0.00 -0.13 1.09 5.66 -1.26 -4.53 114.28 114.56 2pab n THR 60 Ca 0.01 -1.35 -0.03 0.00 -3.05 0.00 0.00 64.05 59.63 2pab n THR 60 Cb 0.42 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 2pab n THR 60 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2pab n GLU 61 N -0.51 -0.14 -2.72 1.09 0.00 -1.26 -1.94 120.64 115.16 2pab n GLU 61 Ca -0.03 0.66 -0.08 0.00 0.00 0.00 0.00 57.16 57.70 2pab n GLU 61 Cb 0.35 -0.97 0.09 0.00 0.00 0.00 0.00 31.44 30.91 2pab n GLU 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pab n GLU 62 N -3.83 0.88 0.03 5.31 4.71 -1.26 -4.30 120.64 122.18 2pab n GLU 62 Ca 0.01 -1.75 0.00 0.00 -0.01 0.00 0.00 57.16 55.41 2pab n GLU 62 Cb 0.08 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 2pab n GLU 62 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2pab n GLN 63 N 0.47 0.00 -2.26 3.49 7.27 -1.26 -4.92 117.38 120.18 2pab n GLN 63 Ca 0.05 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.69 2pab n GLN 63 Cb 0.70 -0.36 -0.02 0.00 2.41 0.00 0.00 30.24 32.97 2pab n GLN 63 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 2pab s PHE 64 N -2.00 2.49 0.39 3.69 5.99 -0.82 -4.95 117.98 122.78 2pab s PHE 64 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 56.93 57.65 2pab s PHE 64 Cb 0.00 -3.68 -0.01 0.00 0.00 0.00 0.00 43.02 39.32 2pab s PHE 64 CO 0.00 -2.56 0.14 1.33 -0.00 0.00 0.00 175.22 174.13 2pab n VAL 65 N 5.46 0.00 -2.51 3.12 0.24 -1.26 -4.83 118.33 118.56 2pab n VAL 65 Ca 0.15 -2.28 -0.36 0.00 -2.04 0.00 0.00 64.34 59.81 2pab n VAL 65 Cb 0.44 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.59 2pab n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pab s GLU 66 N -3.50 4.08 0.00 7.34 2.12 -1.26 -4.69 118.70 122.79 2pab s GLU 66 Ca 0.19 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.05 2pab s GLU 66 Cb 0.01 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.92 2pab s GLU 66 CO 0.14 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2pab n GLY 67 N 0.29 -2.10 3.54 -1.50 0.00 -0.88 -4.99 105.19 99.55 2pab n GLY 67 Ca 0.06 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 2pab n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pab s ILE 68 N -2.41 4.87 0.26 -0.61 1.01 -1.26 0.28 121.20 123.34 2pab s ILE 68 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 60.65 60.77 2pab s ILE 68 Cb 0.00 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 2pab s ILE 68 CO 0.00 0.31 -0.09 -0.31 0.00 0.00 0.00 174.94 174.85 2pab s TYR 69 N 1.55 2.53 -0.06 3.97 2.02 0.55 0.88 117.35 128.79 2pab s TYR 69 Ca 0.06 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 2pab s TYR 69 Cb -0.15 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 2pab s TYR 69 CO 0.07 0.64 -0.12 0.21 -1.57 0.00 0.00 175.55 174.78 2pab s LYS 70 N -3.47 1.67 -0.25 -0.62 2.20 0.10 -1.28 119.74 118.10 2pab s LYS 70 Ca 0.30 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.47 2pab s LYS 70 Cb -0.06 -1.39 0.01 0.00 -1.51 0.00 0.00 37.83 34.88 2pab s LYS 70 CO 0.17 0.02 -0.03 0.08 -0.36 0.00 0.00 175.35 175.23 2pab s VAL 71 N 0.68 3.24 -0.25 4.02 1.01 0.52 0.53 120.40 130.16 2pab s VAL 71 Ca -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2pab s VAL 71 Cb -0.16 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2pab s VAL 71 CO 0.03 0.25 -0.02 -0.70 0.00 0.00 0.00 175.10 174.67 2pab s GLU 72 N 1.41 3.10 -0.27 2.72 2.12 -0.29 0.24 118.70 127.72 2pab s GLU 72 Ca 0.02 -0.82 -0.08 0.00 0.36 0.00 0.00 54.97 54.46 2pab s GLU 72 Cb -0.16 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2pab s GLU 72 CO -0.03 -0.34 0.10 0.42 -0.54 0.00 0.00 175.26 174.87 2pab s ILE 73 N 1.43 4.39 -1.21 -3.70 1.01 0.94 -0.97 121.20 123.09 2pab s ILE 73 Ca 0.03 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 2pab s ILE 73 Cb -0.16 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2pab s ILE 73 CO -0.02 0.24 1.96 -0.67 0.00 0.00 0.00 174.94 176.45 2pab n ASP 74 N 4.94 3.74 0.08 3.58 2.03 0.23 -1.18 116.55 129.96 2pab n ASP 74 Ca -0.15 -2.80 -0.01 0.00 0.52 0.00 0.00 54.79 52.35 2pab n ASP 74 Cb 0.50 -1.59 0.27 0.00 -0.72 0.00 0.00 41.12 39.59 2pab n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2pab h THR 75 N 5.01 1.25 -0.21 5.18 1.35 -1.86 -3.28 112.91 120.35 2pab h THR 75 Ca 0.43 -1.19 0.05 0.00 -0.55 0.00 0.00 66.41 65.15 2pab h THR 75 Cb 0.78 1.41 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 2pab h THR 75 CO 1.64 0.37 -0.08 0.50 -0.25 0.00 0.00 175.52 177.69 2pab h LYS 76 N 0.28 -0.05 -0.29 4.72 3.64 -1.75 -2.29 116.57 120.83 2pab h LYS 76 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2pab h LYS 76 Cb 0.61 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2pab h LYS 76 CO 0.04 -0.03 -0.01 0.77 -2.27 0.00 0.00 179.45 177.95 2pab h SER 77 N -0.05 0.40 0.45 4.20 0.02 -1.87 -1.51 113.55 115.19 2pab h SER 77 Ca 0.11 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2pab h SER 77 Cb 0.21 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2pab h SER 77 CO -0.24 0.48 -0.22 0.22 -1.14 0.00 0.00 176.83 175.93 2pab h TYR 78 N 0.42 -0.56 -0.24 3.45 5.03 -1.55 -0.12 116.97 123.39 2pab h TYR 78 Ca 0.09 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2pab h TYR 78 Cb 0.30 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 2pab h TYR 78 CO 0.01 -0.31 0.11 -1.49 -1.32 0.00 0.00 178.16 175.16 2pab h TRP 79 N -0.67 0.36 -0.02 -3.82 4.06 -1.32 -2.97 115.95 111.58 2pab h TRP 79 Ca -0.06 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.90 2pab h TRP 79 Cb 0.50 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 2pab h TRP 79 CO -0.03 0.37 -0.24 0.87 -3.56 0.00 0.00 178.44 175.85 2pab h LYS 80 N 0.25 -0.35 -0.74 0.49 1.57 -1.13 -0.03 116.57 116.63 2pab h LYS 80 Ca 0.08 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.10 2pab h LYS 80 Cb 0.15 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2pab h LYS 80 CO -0.01 -0.23 0.74 0.00 -0.57 0.00 0.00 179.45 179.38 2pab h ALA 81 N 0.49 2.55 0.09 3.86 0.00 -0.89 0.12 119.26 125.49 2pab h ALA 81 Ca 0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 2pab h ALA 81 Cb 0.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2pab h ALA 81 CO -0.23 -1.12 -1.15 1.25 0.00 0.00 0.00 179.25 178.00 2pab h LEU 82 N 0.00 0.43 0.00 0.00 7.12 -0.88 -3.47 115.31 118.50 2pab h LEU 82 Ca 0.35 -0.43 0.00 0.00 0.13 0.00 0.00 57.88 57.93 2pab h LEU 82 Cb 1.83 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 2pab h LEU 82 CO -0.00 1.30 0.00 0.61 -0.13 0.00 0.00 178.44 180.21 2pab n GLY 83 N 1.36 1.30 3.89 3.75 0.00 0.03 -5.11 105.19 110.40 2pab n GLY 83 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2pab n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pab s ILE 84 N -2.00 5.43 -0.60 -0.61 -1.09 -0.73 -4.99 121.20 116.60 2pab s ILE 84 Ca 0.00 0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.45 2pab s ILE 84 Cb 0.00 -3.49 0.15 0.00 -1.58 0.00 0.00 42.46 37.54 2pab s ILE 84 CO 0.00 0.47 0.45 -0.55 -1.23 0.00 0.00 174.94 174.09 2pab s SER 85 N -1.46 5.68 1.00 3.58 0.15 -1.26 -2.87 113.70 118.52 2pab s SER 85 Ca 0.22 -2.46 -0.14 0.00 0.70 0.00 0.00 55.95 54.27 2pab s SER 85 Cb -0.13 -1.97 0.19 0.00 -1.71 0.00 0.00 66.02 62.40 2pab s SER 85 CO 0.12 -0.52 1.12 -2.16 1.20 0.00 0.00 173.24 172.99 2pab s PRO 86 N 0.53 0.41 -0.26 5.44 0.04 -1.26 -4.99 135.00 134.91 2pab s PRO 86 Ca 0.13 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.46 2pab s PRO 86 Cb -0.20 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 2pab s PRO 86 CO -0.04 -2.69 -0.23 0.34 0.04 0.00 0.00 177.00 174.42 2pab n PHE 87 N -4.10 0.00 -2.79 0.56 -0.00 -1.01 -4.98 117.46 105.14 2pab n PHE 87 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.16 2pab n PHE 87 Cb 0.59 -1.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.00 2pab n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 2pab s HIS 88 N -2.52 3.67 0.15 -5.13 0.09 -1.26 -4.96 115.29 105.33 2pab s HIS 88 Ca -0.35 1.77 -0.03 0.00 -0.00 0.00 0.00 55.06 56.44 2pab s HIS 88 Cb 0.09 -2.91 -0.02 0.00 -0.00 0.00 0.00 32.58 29.74 2pab s HIS 88 CO 0.60 0.19 1.38 0.93 -0.00 0.00 0.00 174.74 177.84 2pab h GLU 89 N 3.10 0.44 -2.36 1.40 4.39 -1.98 -3.38 114.58 116.19 2pab h GLU 89 Ca -0.47 -0.40 0.19 0.00 0.34 0.00 0.00 59.36 59.02 2pab h GLU 89 Cb 1.19 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 2pab h GLU 89 CO 0.65 1.04 0.58 -3.38 -1.16 0.00 0.00 179.01 176.74 2pab s HIS 90 N -3.50 -0.01 -0.24 4.33 -3.43 -1.26 -3.66 115.29 107.53 2pab s HIS 90 Ca -0.06 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 53.87 2pab s HIS 90 Cb 0.10 0.66 0.04 0.00 -1.43 0.00 0.00 32.58 31.95 2pab s HIS 90 CO 0.85 -0.81 -0.10 0.00 -2.00 0.00 0.00 174.74 172.68 2pab s ALA 91 N -2.55 2.59 -0.11 -1.38 0.00 -0.32 -4.89 121.76 115.09 2pab s ALA 91 Ca 0.18 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2pab s ALA 91 Cb -0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2pab s ALA 91 CO 0.03 -0.85 0.07 -2.00 0.00 0.00 0.00 175.76 173.01 2pab s GLU 92 N 1.25 3.28 -0.21 0.00 2.12 -1.26 -0.04 118.70 123.84 2pab s GLU 92 Ca -0.02 -0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 2pab s GLU 92 Cb -0.17 -3.01 0.06 0.00 0.26 0.00 0.00 34.13 31.27 2pab s GLU 92 CO -0.06 0.70 0.01 0.08 -0.54 0.00 0.00 175.26 175.45 2pab s VAL 93 N -0.84 0.83 -0.14 3.70 1.01 0.14 -4.97 120.40 120.13 2pab s VAL 93 Ca 0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2pab s VAL 93 Cb -0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2pab s VAL 93 CO 0.03 -0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.15 2pab s VAL 94 N 1.71 3.36 0.09 2.92 1.01 -1.26 -0.35 120.40 127.89 2pab s VAL 94 Ca -0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 2pab s VAL 94 Cb -0.18 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2pab s VAL 94 CO -0.08 0.51 0.41 0.72 0.00 0.00 0.00 175.10 176.66 2pab s PHE 95 N 0.34 -0.23 -0.12 5.22 -0.71 -0.40 -5.01 117.98 117.07 2pab s PHE 95 Ca -0.08 0.03 -0.18 0.00 -1.04 0.00 0.00 56.93 55.66 2pab s PHE 95 Cb -0.15 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 2pab s PHE 95 CO 0.05 -0.65 0.47 0.99 -1.34 0.00 0.00 175.22 174.73 2pab s THR 96 N -3.28 5.19 0.23 -4.49 2.01 -1.26 -0.33 115.64 113.70 2pab s THR 96 Ca -0.00 0.94 0.11 0.00 0.31 0.00 0.00 61.69 63.05 2pab s THR 96 Cb 0.01 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2pab s THR 96 CO -0.08 0.33 -0.22 0.00 -0.69 0.00 0.00 174.62 173.96 2pab s ALA 97 N 0.59 2.59 0.64 7.40 0.00 0.14 -4.97 121.76 128.14 2pab s ALA 97 Ca 0.26 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2pab s ALA 97 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2pab s ALA 97 CO 0.10 0.34 0.00 -1.71 0.00 0.00 0.00 175.76 174.49 2pab n ASN 98 N -0.15 -8.10 0.00 0.00 4.05 -1.26 -2.06 115.26 107.74 2pab n ASN 98 Ca -0.09 1.57 0.00 0.00 0.45 0.00 0.00 54.58 56.51 2pab n ASN 98 Cb 0.58 -5.12 0.00 0.00 1.23 0.00 0.00 39.78 36.47 2pab n ASN 98 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2pab n ASP 99 N -4.11 0.00 -2.79 1.20 2.03 -1.26 -4.76 116.55 106.85 2pab n ASP 99 Ca -0.08 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.94 2pab n ASP 99 Cb 0.67 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.05 2pab n ASP 99 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2pab n SER 100 N 0.00 4.98 0.00 1.67 2.88 -1.26 -4.97 113.62 116.93 2pab n SER 100 Ca 0.00 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 2pab n SER 100 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2pab n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pab n GLY 101 N -0.35 3.94 3.63 0.46 0.00 -1.26 -4.96 105.19 106.64 2pab n GLY 101 Ca 0.37 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2pab n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pab s PRO 102 N -3.76 4.12 0.49 1.61 0.04 -1.26 -4.17 135.00 132.07 2pab s PRO 102 Ca 0.00 0.79 0.04 0.00 0.04 0.00 0.00 61.00 61.86 2pab s PRO 102 Cb 0.00 -3.67 0.09 0.00 0.04 0.00 0.00 34.50 30.96 2pab s PRO 102 CO 0.00 -0.54 0.68 2.89 0.04 0.00 0.00 177.00 180.07 2pab n ARG 103 N 6.01 0.39 -4.71 4.56 0.00 -1.26 -5.06 116.66 116.58 2pab n ARG 103 Ca 0.04 -2.19 -0.28 0.00 -0.00 0.00 0.00 57.85 55.42 2pab n ARG 103 Cb 0.48 -0.34 -0.17 0.00 -0.00 0.00 0.00 32.46 32.43 2pab n ARG 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2pab s ARG 104 N -4.20 2.23 -0.14 2.89 3.52 0.72 -4.85 118.95 119.12 2pab s ARG 104 Ca 0.48 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.51 2pab s ARG 104 Cb -0.03 -1.80 -0.00 0.00 -1.56 0.00 0.00 34.95 31.56 2pab s ARG 104 CO 0.31 0.04 -0.18 0.71 -0.81 0.00 0.00 175.30 175.37 2pab s TYR 105 N 0.68 2.72 -0.22 5.12 2.02 0.22 -1.61 117.35 126.28 2pab s TYR 105 Ca -0.13 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.59 2pab s TYR 105 Cb -0.16 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 2pab s TYR 105 CO 0.03 -0.43 -0.15 0.99 -1.57 0.00 0.00 175.55 174.43 2pab s THR 106 N 0.62 2.13 -0.27 -0.71 2.01 -0.37 0.61 115.64 119.66 2pab s THR 106 Ca -0.10 -1.30 -0.08 0.00 0.31 0.00 0.00 61.69 60.52 2pab s THR 106 Cb -0.16 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2pab s THR 106 CO 0.03 0.24 0.10 -0.63 -0.69 0.00 0.00 174.62 173.67 2pab s ILE 107 N 1.19 4.47 -0.12 1.82 1.01 0.54 -0.50 121.20 129.62 2pab s ILE 107 Ca -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2pab s ILE 107 Cb -0.17 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2pab s ILE 107 CO -0.09 0.27 0.06 0.00 0.00 0.00 0.00 174.94 175.18 2pab s ALA 108 N 1.63 3.50 -0.00 9.38 0.00 0.82 -0.83 121.76 136.25 2pab s ALA 108 Ca 0.06 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.34 2pab s ALA 108 Cb -0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2pab s ALA 108 CO 0.05 0.50 -0.18 0.00 0.00 0.00 0.00 175.76 176.13 2pab s ALA 109 N -0.63 1.50 -0.24 0.00 0.00 0.54 -1.10 121.76 121.84 2pab s ALA 109 Ca 0.11 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2pab s ALA 109 Cb -0.12 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.70 2pab s ALA 109 CO 0.02 0.36 -0.08 -1.17 0.00 0.00 0.00 175.76 174.89 2pab s LEU 110 N -0.54 2.78 -0.03 0.00 2.96 0.35 -1.24 118.68 122.95 2pab s LEU 110 Ca 0.07 -1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 52.75 2pab s LEU 110 Cb -0.07 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2pab s LEU 110 CO -0.00 -0.20 0.19 -0.76 -1.32 0.00 0.00 176.35 174.26 2pab s LEU 111 N 1.31 4.37 0.05 -0.68 1.43 -0.43 -1.31 118.68 123.42 2pab s LEU 111 Ca -0.06 0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2pab s LEU 111 Cb -0.19 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 2pab s LEU 111 CO -0.06 0.29 -0.02 -0.44 0.23 0.00 0.00 176.35 176.35 2pab s SER 112 N -1.71 0.47 0.20 2.29 0.01 0.77 -1.21 113.70 114.52 2pab s SER 112 Ca 0.25 -1.00 -0.13 0.00 1.31 0.00 0.00 55.95 56.39 2pab s SER 112 Cb -0.13 0.21 0.24 0.00 0.21 0.00 0.00 66.02 66.55 2pab s SER 112 CO 0.15 -0.61 1.66 -0.65 0.41 0.00 0.00 173.24 174.21 2pab h PRO 113 N 3.13 0.08 -0.21 12.44 0.11 -1.98 -2.81 132.00 142.76 2pab h PRO 113 Ca -0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2pab h PRO 113 Cb 1.14 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2pab h PRO 113 CO 0.65 0.06 -0.00 0.66 -0.21 0.00 0.00 178.00 179.16 2pab n TYR 114 N -5.29 0.74 -3.64 0.65 4.01 -1.26 -2.40 117.16 109.97 2pab n TYR 114 Ca 0.07 -0.94 -0.15 0.00 -0.16 0.00 0.00 57.90 56.72 2pab n TYR 114 Cb 0.31 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 2pab n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2pab s SER 115 N -2.18 -0.46 -0.01 7.72 0.15 -1.06 -4.99 113.70 112.88 2pab s SER 115 Ca 0.40 0.53 -0.16 0.00 0.70 0.00 0.00 55.95 57.42 2pab s SER 115 Cb 0.33 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 65.20 2pab s SER 115 CO 0.07 -0.48 0.33 -0.72 1.20 0.00 0.00 173.24 173.64 2pab s TYR 116 N -1.03 -0.20 -0.01 3.44 -0.85 -1.26 -0.16 117.35 117.28 2pab s TYR 116 Ca -0.10 0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.74 2pab s TYR 116 Cb -0.03 0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.43 2pab s TYR 116 CO 0.06 -0.42 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.04 2pab s SER 117 N -1.44 1.07 -0.07 -0.18 1.04 -0.43 -4.96 113.70 108.72 2pab s SER 117 Ca -0.12 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2pab s SER 117 Cb -0.04 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2pab s SER 117 CO 0.03 0.10 -0.19 0.28 0.98 0.00 0.00 173.24 174.44 2pab s THR 118 N -0.10 1.61 0.05 2.02 -1.32 -1.26 -0.50 115.64 116.14 2pab s THR 118 Ca 0.02 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.79 2pab s THR 118 Cb -0.05 -1.40 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 2pab s THR 118 CO -0.00 0.46 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.80 2pab s THR 119 N 0.35 1.40 0.02 5.08 2.01 -0.25 -4.99 115.64 119.26 2pab s THR 119 Ca -0.13 -1.17 0.09 0.00 0.31 0.00 0.00 61.69 60.78 2pab s THR 119 Cb -0.16 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 2pab s THR 119 CO 0.05 0.05 -0.25 0.00 -0.69 0.00 0.00 174.62 173.78 2pab s ALA 120 N -0.90 2.15 -0.20 7.40 0.00 -1.26 -0.13 121.76 128.82 2pab s ALA 120 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2pab s ALA 120 Cb -0.09 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.58 2pab s ALA 120 CO 0.02 0.51 -0.14 0.08 0.00 0.00 0.00 175.76 176.23 2pab s VAL 121 N -0.72 1.86 -0.17 0.00 1.01 0.35 -4.99 120.40 117.74 2pab s VAL 121 Ca 0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2pab s VAL 121 Cb -0.10 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2pab s VAL 121 CO 0.01 0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.62 2pab s VAL 122 N 1.32 3.21 0.00 2.92 1.01 -1.26 -1.24 120.40 126.36 2pab s VAL 122 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2pab s VAL 122 Cb -0.15 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2pab s VAL 122 CO -0.10 0.49 0.09 0.41 0.00 0.00 0.00 175.10 175.99