#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2j n VAL 2 N 0.00 0.22 -4.22 1.69 0.31 -1.25 -4.09 118.33 110.99 1t2j n VAL 2 Ca 0.00 -0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.11 1t2j n VAL 2 Cb 0.00 -1.84 -0.14 0.00 -0.91 0.00 0.00 33.84 30.95 1t2j n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1t2j s GLN 3 N 0.75 0.55 -0.03 5.55 -0.21 0.18 -4.97 119.66 121.48 1t2j s GLN 3 Ca 0.74 -0.34 -0.00 0.00 0.02 0.00 0.00 55.36 55.78 1t2j s GLN 3 Cb -0.56 -0.51 0.03 0.00 1.00 0.00 0.00 33.01 32.98 1t2j s GLN 3 CO 0.37 0.13 0.05 -0.51 -2.12 0.00 0.00 175.29 173.21 1t2j s LEU 4 N -0.40 1.10 -0.02 2.90 1.43 -1.26 -1.34 118.68 121.09 1t2j s LEU 4 Ca 0.01 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1t2j s LEU 4 Cb -0.04 0.01 0.03 0.00 0.03 0.00 0.00 46.19 46.21 1t2j s LEU 4 CO -0.00 -0.12 0.02 -1.58 0.23 0.00 0.00 176.35 174.90 1t2j s GLN 5 N 0.99 -0.01 0.23 1.70 2.00 -0.56 -3.17 119.66 120.84 1t2j s GLN 5 Ca -0.08 0.15 -0.15 0.00 -2.00 0.00 0.00 55.36 53.28 1t2j s GLN 5 Cb -0.12 -0.23 -0.08 0.00 0.80 0.00 0.00 33.01 33.39 1t2j s GLN 5 CO -0.03 -0.14 0.65 -1.21 -0.50 0.00 0.00 175.29 174.06 1t2j s GLU 6 N 0.91 4.03 0.27 1.67 8.01 -1.26 -1.36 118.70 130.97 1t2j s GLU 6 Ca -0.08 0.61 -0.06 0.00 0.01 0.00 0.00 54.97 55.45 1t2j s GLU 6 Cb -0.11 -2.72 -0.01 0.00 -4.31 0.00 0.00 34.13 26.97 1t2j s GLU 6 CO -0.02 0.34 0.39 -1.12 0.01 0.00 0.00 175.26 174.85 1t2j s SER 7 N -1.97 0.33 0.00 -0.19 0.01 0.14 -4.64 113.70 107.38 1t2j s SER 7 Ca 0.46 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1t2j s SER 7 Cb -0.13 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1t2j s SER 7 CO 0.19 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.34 1t2j n GLY 8 N -0.42 0.51 3.38 3.44 0.00 -1.26 -0.64 105.19 110.19 1t2j n GLY 8 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1t2j n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t2j n GLY 9 N -1.39 -2.56 0.00 -0.02 0.00 -1.26 -4.53 105.19 95.43 1t2j n GLY 9 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1t2j n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t2j n GLY 10 N -4.21 -1.97 3.69 -0.02 0.00 -0.13 -4.94 105.19 97.61 1t2j n GLY 10 Ca 0.15 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 1t2j n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t2j s LEU 11 N 0.00 4.24 0.03 0.99 2.96 -1.26 -1.42 118.68 124.23 1t2j s LEU 11 Ca 0.00 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1t2j s LEU 11 Cb 0.00 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 1t2j s LEU 11 CO 0.00 -0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.10 1t2j s VAL 12 N 1.32 0.22 0.43 1.68 1.01 -0.19 -4.97 120.40 119.91 1t2j s VAL 12 Ca 0.34 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1t2j s VAL 12 Cb -0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 1t2j s VAL 12 CO 0.14 -0.57 0.93 -1.10 0.00 0.00 0.00 175.10 174.50 1t2j s GLN 13 N -1.95 4.14 0.37 2.72 -1.52 -1.26 -0.19 119.66 121.97 1t2j s GLN 13 Ca -0.10 1.02 -0.26 0.00 -1.95 0.00 0.00 55.36 54.07 1t2j s GLN 13 Cb -0.07 -2.20 -0.12 0.00 -0.22 0.00 0.00 33.01 30.40 1t2j s GLN 13 CO -0.02 -0.05 1.13 -2.30 -0.25 0.00 0.00 175.29 173.80 1t2j n PRO 14 N -0.80 1.67 -0.26 2.91 -0.02 -1.26 -1.10 135.00 136.14 1t2j n PRO 14 Ca 0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1t2j n PRO 14 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1t2j n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t2j n GLY 15 N 1.01 2.07 3.77 -1.23 0.00 0.10 -4.90 105.19 106.02 1t2j n GLY 15 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1t2j n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t2j s GLY 16 N -1.96 1.66 0.10 -0.02 0.00 -0.26 -4.03 107.32 102.82 1t2j s GLY 16 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1t2j s GLY 16 CO 0.00 -0.20 -0.15 -1.35 0.00 0.00 0.00 173.10 171.40 1t2j s SER 17 N -4.34 1.95 0.05 1.64 1.04 -1.26 -1.40 113.70 111.38 1t2j s SER 17 Ca 0.71 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 56.33 1t2j s SER 17 Cb -0.08 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1t2j s SER 17 CO 0.54 -0.09 0.18 -0.76 0.98 0.00 0.00 173.24 174.10 1t2j s LEU 18 N -2.09 1.43 -0.14 2.42 1.43 -0.15 -5.01 118.68 116.57 1t2j s LEU 18 Ca 0.04 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1t2j s LEU 18 Cb -0.08 0.93 0.02 0.00 0.03 0.00 0.00 46.19 47.09 1t2j s LEU 18 CO 0.03 -0.58 -0.18 -0.60 0.23 0.00 0.00 176.35 175.24 1t2j s ARG 19 N -2.81 2.69 0.21 1.70 3.52 -1.26 -0.23 118.95 122.76 1t2j s ARG 19 Ca -0.03 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.78 1t2j s ARG 19 Cb 0.00 -2.27 -0.06 0.00 -1.56 0.00 0.00 34.95 31.06 1t2j s ARG 19 CO -0.05 -0.11 0.48 -0.51 -0.81 0.00 0.00 175.30 174.30 1t2j s LEU 20 N 1.09 4.19 0.18 -0.88 1.43 0.46 -4.57 118.68 120.58 1t2j s LEU 20 Ca -0.02 0.75 0.09 0.00 -1.03 0.00 0.00 54.13 53.92 1t2j s LEU 20 Cb -0.14 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1t2j s LEU 20 CO -0.06 -0.05 -0.20 -0.44 0.23 0.00 0.00 176.35 175.83 1t2j s SER 21 N -2.55 2.93 -0.11 2.29 0.01 0.19 -1.14 113.70 115.32 1t2j s SER 21 Ca 0.44 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1t2j s SER 21 Cb -0.11 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1t2j s SER 21 CO 0.24 0.01 0.10 0.00 0.41 0.00 0.00 173.24 173.99 1t2j s ALA 23 N 2.19 3.55 -0.08 0.00 0.00 -0.46 -0.87 121.76 126.09 1t2j s ALA 23 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1t2j s ALA 23 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1t2j s ALA 23 CO -0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 175.76 175.38 1t2j s ALA 24 N 1.14 2.85 0.23 0.00 0.00 -0.54 -1.50 121.76 123.95 1t2j s ALA 24 Ca 0.19 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1t2j s ALA 24 Cb -0.14 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1t2j s ALA 24 CO 0.08 0.50 0.37 -1.54 0.00 0.00 0.00 175.76 175.16 1t2j s SER 25 N -0.54 0.01 0.00 0.00 1.04 -0.45 -4.85 113.70 108.90 1t2j s SER 25 Ca 0.08 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1t2j s SER 25 Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1t2j s SER 25 CO 0.02 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1t2j n GLY 26 N -0.35 0.72 3.72 7.32 0.00 -1.26 -0.65 105.19 114.69 1t2j n GLY 26 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1t2j n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t2j s PHE 27 N -2.58 0.02 -0.83 1.61 -0.12 -1.26 -3.97 117.98 110.85 1t2j s PHE 27 Ca 0.00 -0.43 -0.22 0.00 -0.05 0.00 0.00 56.93 56.23 1t2j s PHE 27 Cb 0.00 0.48 0.07 0.00 -0.63 0.00 0.00 43.02 42.95 1t2j s PHE 27 CO 0.00 -1.11 1.18 0.99 -0.05 0.00 0.00 175.22 176.23 1t2j s THR 28 N -3.95 4.22 0.18 -4.49 2.01 -1.26 -4.86 115.64 107.49 1t2j s THR 28 Ca 0.15 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1t2j s THR 28 Cb -0.03 -4.84 0.09 0.00 0.01 0.00 0.00 72.50 67.72 1t2j s THR 28 CO 0.06 -1.66 1.71 0.15 -0.69 0.00 0.00 174.62 174.20 1t2j h PHE 29 N 9.51 0.10 0.00 4.92 3.57 -1.94 -1.77 116.94 131.33 1t2j h PHE 29 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1t2j h PHE 29 Cb 1.04 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1t2j h PHE 29 CO 1.12 -0.03 0.00 0.66 -2.23 0.00 0.00 178.31 177.84 1t2j h SER 30 N 0.19 0.00 -0.02 0.41 4.64 -1.85 -1.40 113.55 115.52 1t2j h SER 30 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1t2j h SER 30 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1t2j h SER 30 CO -0.32 0.00 -0.12 0.59 -0.87 0.00 0.00 176.83 176.12 1t2j n ASN 31 N -2.40 2.62 -4.51 4.97 3.02 -0.67 -4.25 115.26 114.04 1t2j n ASN 31 Ca -0.02 -1.83 -0.34 0.00 -0.03 0.00 0.00 54.58 52.37 1t2j n ASN 31 Cb 0.05 0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 1t2j n ASN 31 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1t2j s SER 32 N -2.12 4.58 0.60 6.41 0.15 -0.53 -4.82 113.70 117.97 1t2j s SER 32 Ca 0.26 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.63 1t2j s SER 32 Cb 0.20 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 1t2j s SER 32 CO 0.37 0.26 1.09 0.00 1.20 0.00 0.00 173.24 176.15 1t2j s ALA 33 N -0.18 2.64 0.11 5.45 0.00 -1.26 -3.82 121.76 124.70 1t2j s ALA 33 Ca 0.02 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1t2j s ALA 33 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1t2j s ALA 33 CO 0.03 -0.94 -0.04 -1.64 0.00 0.00 0.00 175.76 173.17 1t2j s MET 34 N -3.90 0.88 0.21 0.00 -1.94 -0.36 -2.38 119.30 111.80 1t2j s MET 34 Ca 0.66 -1.37 -0.12 0.00 -1.71 0.00 0.00 55.69 53.16 1t2j s MET 34 Cb -0.19 -0.17 -0.00 0.00 2.01 0.00 0.00 34.83 36.48 1t2j s MET 34 CO 0.36 -0.06 0.41 -1.54 -0.01 0.00 0.00 175.02 174.18 1t2j s SER 35 N -3.06 -0.07 0.07 3.03 1.04 -0.07 -0.84 113.70 113.80 1t2j s SER 35 Ca 0.14 -0.86 0.09 0.00 0.48 0.00 0.00 55.95 55.80 1t2j s SER 35 Cb 0.06 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1t2j s SER 35 CO -0.03 -1.04 -0.24 0.26 0.98 0.00 0.00 173.24 173.17 1t2j s TRP 36 N -3.99 2.13 0.06 5.02 0.52 0.10 -0.45 118.94 122.33 1t2j s TRP 36 Ca 0.20 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.92 1t2j s TRP 36 Cb 0.01 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 1t2j s TRP 36 CO 0.05 0.17 -0.05 0.08 0.02 0.00 0.00 176.95 177.22 1t2j s VAL 37 N -0.90 0.37 0.05 4.03 1.01 -0.20 -0.65 120.40 124.12 1t2j s VAL 37 Ca 0.11 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1t2j s VAL 37 Cb -0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1t2j s VAL 37 CO 0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 175.10 174.28 1t2j s ARG 38 N -3.18 0.54 -0.05 2.72 1.70 0.02 -0.63 118.95 120.08 1t2j s ARG 38 Ca 0.02 -0.95 -0.02 0.00 -0.47 0.00 0.00 55.73 54.32 1t2j s ARG 38 Cb 0.02 -0.01 0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1t2j s ARG 38 CO -0.06 -0.04 0.08 -1.14 -1.08 0.00 0.00 175.30 173.07 1t2j s GLN 39 N -2.61 -0.02 0.10 3.89 0.74 0.48 -0.27 119.66 121.96 1t2j s GLN 39 Ca -0.03 0.36 -0.06 0.00 0.05 0.00 0.00 55.36 55.68 1t2j s GLN 39 Cb -0.02 -0.34 -0.05 0.00 1.10 0.00 0.00 33.01 33.69 1t2j s GLN 39 CO -0.04 -0.25 0.35 0.00 -0.55 0.00 0.00 175.29 174.79 1t2j s ALA 40 N 1.72 3.81 0.08 1.58 0.00 -1.26 -1.05 121.76 126.65 1t2j s ALA 40 Ca -0.02 -0.55 -0.34 0.00 0.00 0.00 0.00 51.96 51.05 1t2j s ALA 40 Cb -0.12 -2.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.75 1t2j s ALA 40 CO -0.04 0.66 1.66 -0.35 0.00 0.00 0.00 175.76 177.69 1t2j n PRO 41 N 0.46 2.14 0.00 0.00 -0.05 -1.26 -1.13 135.00 135.15 1t2j n PRO 41 Ca -0.05 0.77 0.00 0.00 -0.05 0.00 0.00 63.50 64.17 1t2j n PRO 41 Cb 0.52 -2.56 0.00 0.00 -0.05 0.00 0.00 33.50 31.41 1t2j n PRO 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1t2j n GLY 42 N 3.69 1.64 3.93 0.55 0.00 -1.26 -4.99 105.19 108.75 1t2j n GLY 42 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1t2j n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2j s LYS 43 N 0.00 2.33 0.63 1.61 3.01 -0.28 -5.09 119.74 121.95 1t2j s LYS 43 Ca 0.00 -0.18 0.04 0.00 -1.01 0.00 0.00 55.97 54.81 1t2j s LYS 43 Cb 0.00 -2.18 0.10 0.00 -1.01 0.00 0.00 37.83 34.74 1t2j s LYS 43 CO 0.00 -1.16 0.87 0.20 0.51 0.00 0.00 175.35 175.78 1t2j s GLY 44 N -4.48 1.77 0.36 -3.33 0.00 -1.26 -4.43 107.32 95.95 1t2j s GLY 44 Ca 0.59 -1.83 -0.28 0.00 0.00 0.00 0.00 44.72 43.20 1t2j s GLY 44 CO 0.45 -1.35 1.43 1.08 0.00 0.00 0.00 173.10 174.71 1t2j s LEU 45 N -4.89 4.35 -0.10 0.66 1.43 -1.26 -4.32 118.68 114.55 1t2j s LEU 45 Ca 0.63 2.94 -0.01 0.00 -1.03 0.00 0.00 54.13 56.66 1t2j s LEU 45 Cb -0.06 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.52 1t2j s LEU 45 CO 0.41 -0.77 -0.03 -0.70 0.23 0.00 0.00 176.35 175.49 1t2j s GLU 46 N -1.98 1.06 0.32 1.70 2.12 0.62 -4.96 118.70 117.57 1t2j s GLU 46 Ca 0.52 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 1t2j s GLU 46 Cb -0.44 -1.37 -0.11 0.00 0.26 0.00 0.00 34.13 32.47 1t2j s GLU 46 CO 0.60 -0.32 1.51 -0.46 -0.54 0.00 0.00 175.26 176.05 1t2j s TRP 47 N 1.83 2.75 -0.14 5.30 -0.00 -1.26 -0.80 118.94 126.62 1t2j s TRP 47 Ca 0.04 1.01 -0.10 0.00 -0.00 0.00 0.00 56.10 57.06 1t2j s TRP 47 Cb -0.13 -3.99 -0.06 0.00 -0.00 0.00 0.00 33.47 29.29 1t2j s TRP 47 CO -0.07 -3.10 -0.22 0.28 -0.00 0.00 0.00 176.95 173.84 1t2j n VAL 48 N 1.45 1.10 -3.50 5.86 0.31 0.18 -4.65 118.33 119.08 1t2j n VAL 48 Ca 0.05 -0.09 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1t2j n VAL 48 Cb 0.39 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1t2j n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1t2j s SER 49 N -6.36 -0.46 0.06 4.52 1.04 -1.11 -0.85 113.70 110.54 1t2j s SER 49 Ca -0.22 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 1t2j s SER 49 Cb 0.07 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1t2j s SER 49 CO 0.29 -0.67 -0.01 -0.94 0.98 0.00 0.00 173.24 172.89 1t2j s SER 50 N -2.16 0.46 -0.05 7.02 1.04 0.08 -0.72 113.70 119.37 1t2j s SER 50 Ca 0.01 -1.00 -0.06 0.00 0.48 0.00 0.00 55.95 55.38 1t2j s SER 50 Cb -0.01 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1t2j s SER 50 CO -0.06 -0.62 0.16 -0.51 0.98 0.00 0.00 173.24 173.19 1t2j s ILE 51 N -3.93 0.02 0.83 -1.02 2.07 -0.02 -1.21 121.20 117.93 1t2j s ILE 51 Ca 0.08 -0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.07 1t2j s ILE 51 Cb 0.08 -0.28 0.09 0.00 0.13 0.00 0.00 42.46 42.48 1t2j s ILE 51 CO -0.09 -0.08 1.09 -0.94 -1.91 0.00 0.00 174.94 173.01 1t2j s SER 52 N -0.22 4.13 0.26 4.50 1.04 -0.47 -1.23 113.70 121.71 1t2j s SER 52 Ca -0.03 1.55 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 1t2j s SER 52 Cb -0.02 -2.26 0.52 0.00 0.10 0.00 0.00 66.02 64.36 1t2j s SER 52 CO 0.01 -2.23 1.73 1.23 0.98 0.00 0.00 173.24 174.95 1t2j h GLY 52 N -1.27 1.26 1.73 7.32 0.00 -1.83 -1.83 103.07 108.45 1t2j h GLY 52 Ca -0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1t2j h GLY 52 CO 0.55 -0.12 -0.44 1.48 0.00 0.00 0.00 176.54 178.01 1t2j h SER 53 N 0.47 0.00 0.00 0.19 4.64 -1.88 -3.44 113.55 113.53 1t2j h SER 53 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1t2j h SER 53 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1t2j h SER 53 CO -0.42 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 1t2j n GLY 54 N 1.18 0.74 0.19 -0.77 0.00 -0.69 -4.95 105.19 100.89 1t2j n GLY 54 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1t2j n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1t2j h GLY 55 N 0.00 0.00 -6.01 -0.02 0.00 -1.92 -3.44 103.07 91.69 1t2j h GLY 55 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1t2j h GLY 55 CO 0.00 0.00 -0.66 -1.31 0.00 0.00 0.00 176.54 174.57 1t2j s ASN 56 N -4.84 -0.03 0.18 0.19 -0.87 -1.26 -5.03 114.94 103.28 1t2j s ASN 56 Ca 0.03 0.14 0.06 0.00 -1.57 0.00 0.00 52.86 51.52 1t2j s ASN 56 Cb 0.09 0.07 -0.05 0.00 -0.02 0.00 0.00 41.25 41.35 1t2j s ASN 56 CO 0.46 -0.09 -0.13 0.42 -2.57 0.00 0.00 177.10 175.20 1t2j s THR 57 N 0.64 1.49 -0.00 1.60 -4.23 -1.26 -1.36 115.64 112.51 1t2j s THR 57 Ca -0.05 -2.12 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1t2j s THR 57 Cb -0.07 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1t2j s THR 57 CO -0.02 -0.65 0.01 -0.31 -0.54 0.00 0.00 174.62 173.11 1t2j s TYR 58 N -3.07 -0.01 0.04 3.99 1.51 -0.35 -4.99 117.35 114.47 1t2j s TYR 58 Ca 0.19 0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1t2j s TYR 58 Cb 0.00 -0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.83 1t2j s TYR 58 CO 0.04 -0.01 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.26 1t2j s SER 59 N -0.05 0.97 0.65 2.29 0.01 -1.26 -0.74 113.70 115.57 1t2j s SER 59 Ca -0.01 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 56.62 1t2j s SER 59 Cb -0.00 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1t2j s SER 59 CO -0.00 -0.13 1.13 0.00 0.41 0.00 0.00 173.24 174.66 1t2j s ALA 60 N -1.12 2.45 0.45 1.44 0.00 -0.03 -4.71 121.76 120.25 1t2j s ALA 60 Ca -0.06 0.67 0.17 0.00 0.00 0.00 0.00 51.96 52.74 1t2j s ALA 60 Cb -0.09 -3.36 1.11 0.00 0.00 0.00 0.00 23.12 20.79 1t2j s ALA 60 CO 0.01 -1.29 1.96 -0.44 0.00 0.00 0.00 175.76 176.00 1t2j h ASP 61 N 0.21 0.30 1.10 0.00 3.32 -1.92 0.43 116.42 119.85 1t2j h ASP 61 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1t2j h ASP 61 Cb 1.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1t2j h ASP 61 CO 0.54 0.17 0.00 0.77 -1.72 0.00 0.00 179.24 179.00 1t2j h SER 62 N 0.32 0.00 0.00 6.45 4.64 -1.94 -3.33 113.55 119.69 1t2j h SER 62 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1t2j h SER 62 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1t2j h SER 62 CO -0.08 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.21 1t2j n VAL 63 N -2.34 0.00 -1.69 0.95 0.24 -0.67 -5.02 118.33 109.80 1t2j n VAL 63 Ca 0.03 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 1t2j n VAL 63 Cb 0.33 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.69 1t2j n VAL 63 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1t2j n LYS 64 N -0.57 2.16 -0.71 7.34 2.85 0.05 -1.27 118.16 128.01 1t2j n LYS 64 Ca 0.00 0.76 0.00 0.00 -1.05 0.00 0.00 58.31 58.02 1t2j n LYS 64 Cb 0.00 -2.41 0.00 0.00 -0.65 0.00 0.00 35.03 31.98 1t2j n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t2j n GLY 65 N 1.59 1.54 0.00 2.58 0.00 -1.26 -4.78 105.19 104.86 1t2j n GLY 65 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1t2j n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2j n ARG 66 N -2.00 1.14 -4.22 1.61 1.74 -0.40 -5.04 116.66 109.49 1t2j n ARG 66 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1t2j n ARG 66 Cb 0.00 -0.96 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 1t2j n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1t2j s PHE 67 N -1.92 3.05 -0.27 -1.55 0.40 -0.56 -1.66 117.98 115.48 1t2j s PHE 67 Ca 0.00 -0.33 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1t2j s PHE 67 Cb 0.00 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.55 1t2j s PHE 67 CO 0.00 -0.10 -0.05 0.99 0.70 0.00 0.00 175.22 176.75 1t2j s THR 68 N 0.64 2.70 0.34 0.64 2.01 0.38 -4.80 115.64 117.56 1t2j s THR 68 Ca -0.01 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 60.39 1t2j s THR 68 Cb -0.14 -2.50 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 1t2j s THR 68 CO 0.02 0.01 0.96 -0.51 -0.69 0.00 0.00 174.62 174.42 1t2j s ILE 69 N 1.23 4.14 0.28 1.82 2.07 -1.26 -0.77 121.20 128.71 1t2j s ILE 69 Ca -0.05 1.72 -0.16 0.00 -1.41 0.00 0.00 60.65 60.75 1t2j s ILE 69 Cb -0.19 -3.92 0.01 0.00 0.13 0.00 0.00 42.46 38.49 1t2j s ILE 69 CO -0.03 0.08 0.61 -0.94 -1.91 0.00 0.00 174.94 172.75 1t2j s SER 70 N -1.65 -0.08 0.06 4.50 1.04 -0.92 -4.97 113.70 111.68 1t2j s SER 70 Ca 0.52 -0.86 -0.10 0.00 0.48 0.00 0.00 55.95 55.99 1t2j s SER 70 Cb -0.18 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1t2j s SER 70 CO 0.24 -1.29 0.21 0.00 0.98 0.00 0.00 173.24 173.37 1t2j s ARG 71 N -3.73 0.78 -0.33 4.02 1.70 -1.26 -0.45 118.95 119.67 1t2j s ARG 71 Ca 0.18 -0.75 0.03 0.00 -0.47 0.00 0.00 55.73 54.71 1t2j s ARG 71 Cb -0.03 0.32 0.10 0.00 -0.57 0.00 0.00 34.95 34.77 1t2j s ARG 71 CO 0.09 -0.24 0.06 0.34 -1.08 0.00 0.00 175.30 174.47 1t2j s ASP 72 N -2.41 4.55 0.44 -2.89 -1.08 0.52 -4.99 116.67 110.81 1t2j s ASP 72 Ca -0.01 -1.99 0.18 0.00 -0.52 0.00 0.00 52.55 50.21 1t2j s ASP 72 Cb 0.01 -1.41 1.04 0.00 -1.46 0.00 0.00 42.92 41.10 1t2j s ASP 72 CO -0.07 -0.39 1.95 0.78 0.52 0.00 0.00 175.17 177.96 1t2j h ASN 73 N 7.75 0.00 0.43 -0.34 2.35 -1.94 -1.42 115.58 122.41 1t2j h ASN 73 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1t2j h ASN 73 Cb 1.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1t2j h ASN 73 CO 0.50 0.23 -0.35 0.00 -1.65 0.00 0.00 177.43 176.16 1t2j h ALA 74 N 1.77 1.32 -0.40 -0.83 0.00 -1.95 -2.95 119.26 116.21 1t2j h ALA 74 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1t2j h ALA 74 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1t2j h ALA 74 CO 0.03 0.44 0.00 1.63 0.00 0.00 0.00 179.25 181.35 1t2j n LYS 75 N -3.98 2.88 -3.82 0.00 4.76 -0.93 -4.99 118.16 112.08 1t2j n LYS 75 Ca -0.02 -2.19 -0.24 0.00 -2.87 0.00 0.00 58.31 52.99 1t2j n LYS 75 Cb 0.41 -1.35 0.01 0.00 -1.84 0.00 0.00 35.03 32.26 1t2j n LYS 75 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1t2j n ASN 76 N 0.63 -1.62 -3.96 4.39 4.13 -0.58 -4.85 115.26 113.40 1t2j n ASN 76 Ca 0.14 -0.87 -0.17 0.00 1.68 0.00 0.00 54.58 55.36 1t2j n ASN 76 Cb 0.48 -3.71 -0.15 0.00 -1.54 0.00 0.00 39.78 34.87 1t2j n ASN 76 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1t2j s SER 77 N -4.15 0.70 0.00 6.41 0.01 -0.94 -1.46 113.70 114.27 1t2j s SER 77 Ca 0.14 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.32 1t2j s SER 77 Cb -0.07 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1t2j s SER 77 CO 0.84 0.06 -0.03 -0.22 0.41 0.00 0.00 173.24 174.30 1t2j s LEU 78 N -0.01 3.38 0.12 2.44 2.96 -0.05 -0.35 118.68 127.16 1t2j s LEU 78 Ca 0.01 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1t2j s LEU 78 Cb -0.04 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1t2j s LEU 78 CO -0.00 0.28 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.87 1t2j s TYR 79 N -1.05 1.31 -0.19 5.38 2.02 0.40 -0.02 117.35 125.19 1t2j s TYR 79 Ca 0.19 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1t2j s TYR 79 Cb -0.11 -0.69 0.06 0.00 -0.40 0.00 0.00 41.96 40.82 1t2j s TYR 79 CO 0.09 0.11 0.05 -1.17 -1.57 0.00 0.00 175.55 173.05 1t2j s LEU 80 N -2.46 1.05 -0.47 -1.29 2.96 -0.29 -2.17 118.68 116.01 1t2j s LEU 80 Ca 0.08 -0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 52.94 1t2j s LEU 80 Cb -0.04 -0.54 0.03 0.00 0.50 0.00 0.00 46.19 46.14 1t2j s LEU 80 CO 0.02 -0.32 0.90 -1.58 -1.32 0.00 0.00 176.35 174.06 1t2j s GLN 81 N 1.91 3.47 -0.34 1.98 2.00 0.05 -0.40 119.66 128.33 1t2j s GLN 81 Ca -0.00 0.04 -0.14 0.00 -2.00 0.00 0.00 55.36 53.26 1t2j s GLN 81 Cb -0.17 -3.95 -0.02 0.00 0.80 0.00 0.00 33.01 29.68 1t2j s GLN 81 CO -0.09 -1.25 0.29 -1.64 -0.50 0.00 0.00 175.29 172.10 1t2j s MET 82 N 3.70 3.52 0.36 1.67 -1.94 0.67 -0.47 119.30 126.81 1t2j s MET 82 Ca 0.35 -0.56 0.08 0.00 -1.71 0.00 0.00 55.69 53.85 1t2j s MET 82 Cb -0.11 -3.81 -0.05 0.00 2.01 0.00 0.00 34.83 32.87 1t2j s MET 82 CO 0.25 -0.47 0.09 -0.80 -0.01 0.00 0.00 175.02 174.07 1t2j s ASN 82 N 1.73 4.38 -1.32 3.03 0.01 -0.66 -0.98 114.94 121.13 1t2j s ASN 82 Ca 0.08 -0.95 -0.05 0.00 -0.71 0.00 0.00 52.86 51.23 1t2j s ASN 82 Cb -0.17 -0.58 -0.00 0.00 0.41 0.00 0.00 41.25 40.91 1t2j s ASN 82 CO 0.11 -0.32 0.56 -0.24 -1.51 0.00 0.00 177.10 175.70 1t2j n SER 82 N -1.08 -1.67 -4.77 -1.22 2.88 -1.02 -4.66 113.62 102.08 1t2j n SER 82 Ca -0.03 -0.97 -0.39 0.00 -1.33 0.00 0.00 58.87 56.15 1t2j n SER 82 Cb 0.63 -3.33 -0.01 0.00 -0.75 0.00 0.00 64.21 60.74 1t2j n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1t2j s LEU 82 N -6.79 4.23 0.25 2.46 1.43 -0.49 -4.64 118.68 115.12 1t2j s LEU 82 Ca 0.12 2.53 0.11 0.00 -1.03 0.00 0.00 54.13 55.85 1t2j s LEU 82 Cb -0.04 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 1t2j s LEU 82 CO 0.87 -0.75 -0.20 -0.13 0.23 0.00 0.00 176.35 176.37 1t2j s ARG 83 N -2.21 1.57 0.31 1.70 0.52 -1.26 0.01 118.95 119.58 1t2j s ARG 83 Ca 0.56 -1.68 0.07 0.00 -0.52 0.00 0.00 55.73 54.16 1t2j s ARG 83 Cb -0.35 -1.65 0.83 0.00 0.52 0.00 0.00 34.95 34.30 1t2j s ARG 83 CO 0.45 0.31 1.71 0.00 0.02 0.00 0.00 175.30 177.80 1t2j h ALA 84 N 2.51 1.66 0.00 2.13 0.00 -1.95 0.10 119.26 123.71 1t2j h ALA 84 Ca -0.41 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1t2j h ALA 84 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1t2j h ALA 84 CO 0.58 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.67 1t2j n GLU 85 N -4.95 0.30 0.00 0.00 0.28 -1.26 -2.03 120.64 112.97 1t2j n GLU 85 Ca 0.25 0.10 0.13 0.00 -0.16 0.00 0.00 57.16 57.48 1t2j n GLU 85 Cb 0.72 -1.50 0.46 0.00 1.43 0.00 0.00 31.44 32.55 1t2j n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1t2j n ASP 86 N -1.26 0.34 -4.70 -1.84 8.00 0.02 -4.88 116.55 112.23 1t2j n ASP 86 Ca 0.10 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 1t2j n ASP 86 Cb 0.15 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1t2j n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1t2j s THR 87 N -2.87 2.61 0.00 -3.53 2.01 -0.86 -4.88 115.64 108.12 1t2j s THR 87 Ca 0.16 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1t2j s THR 87 Cb 0.19 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1t2j s THR 87 CO 0.59 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.52 1t2j n ALA 88 N 5.13 0.00 -2.71 7.40 0.00 -0.50 -4.63 120.51 125.20 1t2j n ALA 88 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1t2j n ALA 88 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1t2j n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t2j s VAL 89 N -2.00 5.03 -0.11 0.00 1.01 -0.21 -1.19 120.40 122.93 1t2j s VAL 89 Ca 0.00 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 1t2j s VAL 89 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1t2j s VAL 89 CO 0.00 0.25 0.00 -0.31 0.00 0.00 0.00 175.10 175.04 1t2j s TYR 90 N 0.79 3.15 0.02 5.22 1.51 0.13 -0.39 117.35 127.79 1t2j s TYR 90 Ca 0.38 0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1t2j s TYR 90 Cb -0.18 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1t2j s TYR 90 CO 0.19 0.35 -0.17 0.71 -1.11 0.00 0.00 175.55 175.52 1t2j s TYR 91 N -0.53 1.47 0.40 2.71 2.02 0.20 -0.94 117.35 122.67 1t2j s TYR 91 Ca 0.09 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1t2j s TYR 91 Cb -0.12 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1t2j s TYR 91 CO 0.02 0.03 0.59 0.00 -1.57 0.00 0.00 175.55 174.62 1t2j s ALA 93 N -2.40 -0.74 -0.73 0.00 0.00 0.41 -4.41 121.76 113.89 1t2j s ALA 93 Ca 0.46 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1t2j s ALA 93 Cb -0.10 -0.13 0.39 0.00 0.00 0.00 0.00 23.12 23.28 1t2j s ALA 93 CO 0.35 -0.22 1.88 2.89 0.00 0.00 0.00 175.76 180.66 1t2j n ARG 94 N 1.88 2.86 -4.08 0.00 1.85 -0.49 -0.89 116.66 117.80 1t2j n ARG 94 Ca -0.19 -3.62 -0.15 0.00 -1.00 0.00 0.00 57.85 52.89 1t2j n ARG 94 Cb 0.57 -2.27 -0.04 0.00 -1.05 0.00 0.00 32.46 29.67 1t2j n ARG 94 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1t2j s ASP 95 N -1.68 0.95 0.24 2.89 -4.77 -1.00 -4.65 116.67 108.64 1t2j s ASP 95 Ca 0.54 -1.50 0.11 0.00 -3.30 0.00 0.00 52.55 48.40 1t2j s ASP 95 Cb 0.45 0.68 0.18 0.00 -1.09 0.00 0.00 42.92 43.14 1t2j s ASP 95 CO -0.28 -1.34 1.50 -0.50 0.70 0.00 0.00 175.17 175.25 1t2j h TRP 96 N 2.08 0.00 -0.41 2.11 4.06 -1.84 -3.02 115.95 118.93 1t2j h TRP 96 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1t2j h TRP 96 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1t2j h TRP 96 CO 1.57 0.70 0.00 0.66 -3.56 0.00 0.00 178.44 177.81 1t2j n TYR 97 N -3.54 0.54 -2.79 0.49 4.02 -1.26 -4.72 117.16 109.89 1t2j n TYR 97 Ca -0.00 -0.27 -0.22 0.00 -0.01 0.00 0.00 57.90 57.40 1t2j n TYR 97 Cb 0.73 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.07 1t2j n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t2j n GLY 98 N 1.39 -0.50 0.01 2.72 0.00 -1.26 -4.90 105.19 102.65 1t2j n GLY 98 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1t2j n GLY 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t2j n MET 99 N -3.65 2.13 -3.86 1.61 2.00 -1.26 -4.80 117.12 109.29 1t2j n MET 99 Ca -0.16 -1.29 -0.28 0.00 0.00 0.00 0.00 57.70 55.97 1t2j n MET 99 Cb 0.64 -1.00 -0.12 0.00 0.00 0.00 0.00 33.22 32.74 1t2j n MET 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1t2j s ASP 101 N -0.78 4.42 -0.19 7.83 2.15 -1.26 -5.04 116.67 123.80 1t2j s ASP 101 Ca 0.00 -3.62 -0.05 0.00 0.43 0.00 0.00 52.55 49.31 1t2j s ASP 101 Cb 0.00 -1.51 -0.03 0.00 -0.30 0.00 0.00 42.92 41.08 1t2j s ASP 101 CO 0.00 -0.12 0.00 -0.69 -0.17 0.00 0.00 175.17 174.19 1t2j s VAL 102 N -1.09 4.09 0.00 1.11 1.01 -1.26 -1.39 120.40 122.87 1t2j s VAL 102 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1t2j s VAL 102 Cb -0.08 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1t2j s VAL 102 CO -0.14 0.45 0.00 0.79 0.00 0.00 0.00 175.10 176.20 1t2j n TRP 103 N 3.93 0.00 -3.38 5.22 7.02 -1.26 -5.08 117.44 123.88 1t2j n TRP 103 Ca -0.17 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.10 1t2j n TRP 103 Cb 0.52 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.43 1t2j n TRP 103 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1t2j s GLY 104 N -1.16 2.02 0.00 6.99 0.00 -1.19 -4.56 107.32 109.42 1t2j s GLY 104 Ca 0.00 -1.78 0.26 0.00 0.00 0.00 0.00 44.72 43.20 1t2j s GLY 104 CO 0.00 -1.73 1.56 -1.06 0.00 0.00 0.00 173.10 171.87 1t2j n GLN 105 N -1.91 0.03 0.00 2.90 1.13 -1.26 -5.03 117.38 113.24 1t2j n GLN 105 Ca 0.07 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1t2j n GLN 105 Cb 0.62 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.47 1t2j n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t2j n GLY 106 N 1.49 -0.58 2.88 1.08 0.00 -1.26 -5.00 105.19 103.80 1t2j n GLY 106 Ca 0.06 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.21 1t2j n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1t2j s THR 107 N -2.18 0.35 0.01 2.61 -1.32 -0.12 -4.68 115.64 110.31 1t2j s THR 107 Ca 0.00 -0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 1t2j s THR 107 Cb 0.00 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 1t2j s THR 107 CO 0.00 0.16 0.62 -0.89 -2.21 0.00 0.00 174.62 172.30 1t2j s THR 108 N 0.67 4.87 -0.19 5.08 2.01 -1.26 -0.69 115.64 126.13 1t2j s THR 108 Ca -0.08 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1t2j s THR 108 Cb -0.11 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.46 1t2j s THR 108 CO -0.01 0.42 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 1t2j s VAL 109 N -0.25 2.28 -0.14 3.82 1.01 -0.33 -0.96 120.40 125.84 1t2j s VAL 109 Ca 0.32 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1t2j s VAL 109 Cb -0.19 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1t2j s VAL 109 CO 0.18 0.49 -0.14 -0.89 0.00 0.00 0.00 175.10 174.75 1t2j s THR 110 N 1.31 1.50 -0.24 3.92 2.01 -0.51 -1.41 115.64 122.23 1t2j s THR 110 Ca 0.04 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 1t2j s THR 110 Cb -0.14 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1t2j s THR 110 CO -0.11 0.45 0.71 -0.69 -0.69 0.00 0.00 174.62 174.28 1t2j s VAL 111 N 1.40 4.93 0.62 3.82 1.01 -1.26 -1.02 120.40 129.90 1t2j s VAL 111 Ca 0.02 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 1t2j s VAL 111 Cb -0.13 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1t2j s VAL 111 CO -0.08 -0.00 1.05 -0.94 0.00 0.00 0.00 175.10 175.12 1t2j s SER 112 N 1.39 5.81 0.00 3.32 1.04 0.74 -4.91 113.70 121.09 1t2j s SER 112 Ca 0.30 1.69 0.13 0.00 0.48 0.00 0.00 55.95 58.55 1t2j s SER 112 Cb -0.15 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.56 1t2j s SER 112 CO 0.08 -1.15 0.91 -1.20 0.98 0.00 0.00 173.24 172.87