#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pie s ALA 10 N 0.00 -0.93 0.29 4.61 0.00 -1.26 -5.15 121.76 119.32 2pie s ALA 10 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2pie s ALA 10 Cb 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 23.12 22.23 2pie s ALA 10 CO 0.00 -0.23 1.27 -1.01 0.00 0.00 0.00 175.76 175.79 2pie s HIS 11 N 1.05 3.19 0.37 0.00 0.09 -1.26 -4.93 115.29 113.79 2pie s HIS 11 Ca -0.07 1.41 0.09 0.00 -0.00 0.00 0.00 55.06 56.49 2pie s HIS 11 Cb -0.07 -3.59 0.82 0.00 -0.00 0.00 0.00 32.58 29.73 2pie s HIS 11 CO -0.08 -1.65 1.91 0.52 -0.00 0.00 0.00 174.74 175.44 2pie h MET 12 N 3.97 0.66 0.00 1.40 0.00 -2.01 -2.65 114.93 116.30 2pie h MET 12 Ca -0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 59.70 59.15 2pie h MET 12 Cb 1.22 -0.15 -0.00 0.00 0.00 0.00 0.00 31.60 32.67 2pie h MET 12 CO 0.69 0.44 -0.16 0.00 0.00 0.00 0.00 176.91 177.88 2pie h ALA 13 N 1.61 1.72 -0.16 6.32 0.00 -2.01 -1.15 119.26 125.58 2pie h ALA 13 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pie h ALA 13 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pie h ALA 13 CO -0.15 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2pie n GLY 14 N -1.06 0.13 3.83 0.00 0.00 -1.00 -3.98 105.19 103.11 2pie n GLY 14 Ca -0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2pie n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pie s GLY 15 N -0.87 1.75 0.15 -0.02 0.00 -0.44 -4.86 107.32 103.03 2pie s GLY 15 Ca 0.12 -1.22 0.06 0.00 0.00 0.00 0.00 44.72 43.68 2pie s GLY 15 CO 0.07 -0.37 -0.14 0.50 0.00 0.00 0.00 173.10 173.16 2pie s ARG 16 N -5.81 1.12 -0.04 2.90 1.81 -1.26 -1.03 118.95 116.63 2pie s ARG 16 Ca 0.75 -1.35 -0.24 0.00 -1.72 0.00 0.00 55.73 53.17 2pie s ARG 16 Cb -0.04 -0.96 0.05 0.00 -0.45 0.00 0.00 34.95 33.55 2pie s ARG 16 CO 0.54 0.17 0.52 -1.12 -0.68 0.00 0.00 175.30 174.73 2pie s SER 17 N -2.73 -0.46 0.58 0.23 0.01 -0.65 -4.85 113.70 105.82 2pie s SER 17 Ca 0.13 0.46 -0.18 0.00 1.31 0.00 0.00 55.95 57.67 2pie s SER 17 Cb -0.03 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 2pie s SER 17 CO 0.04 -0.53 1.11 0.26 0.41 0.00 0.00 173.24 174.53 2pie s TRP 18 N -1.21 2.71 0.26 2.43 0.52 -1.26 -1.52 118.94 120.87 2pie s TRP 18 Ca -0.12 1.55 -0.21 0.00 0.02 0.00 0.00 56.10 57.34 2pie s TRP 18 Cb -0.02 -3.21 0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2pie s TRP 18 CO 0.07 -1.51 0.69 0.00 0.02 0.00 0.00 176.95 176.22 2pie s LEU 20 N -2.89 5.02 -0.21 0.00 1.43 0.49 -1.84 118.68 120.69 2pie s LEU 20 Ca 0.10 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 51.67 2pie s LEU 20 Cb -0.05 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 2pie s LEU 20 CO 0.03 -0.49 0.90 -0.60 0.23 0.00 0.00 176.35 176.43 2pie s ARG 21 N 1.51 4.25 -0.07 1.70 3.52 0.15 -1.02 118.95 129.00 2pie s ARG 21 Ca 0.03 1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 56.44 2pie s ARG 21 Cb -0.22 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 2pie s ARG 21 CO 0.05 -0.48 1.52 0.50 -0.81 0.00 0.00 175.30 176.07 2pie s ARG 22 N 2.69 4.21 0.16 5.12 6.06 -1.26 -0.70 118.95 135.22 2pie s ARG 22 Ca 0.39 2.03 -0.31 0.00 -2.50 0.00 0.00 55.73 55.35 2pie s ARG 22 Cb -0.16 -3.85 -0.09 0.00 0.06 0.00 0.00 34.95 30.91 2pie s ARG 22 CO 0.09 -0.77 1.47 0.08 -2.50 0.00 0.00 175.30 173.68 2pie s VAL 23 N 3.59 2.92 0.00 7.11 1.01 -0.29 -2.84 120.40 131.90 2pie s VAL 23 Ca 0.67 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2pie s VAL 23 Cb -0.30 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2pie s VAL 23 CO 0.26 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2pie n GLY 24 N 3.41 0.81 3.07 4.51 0.00 -1.26 -4.90 105.19 110.83 2pie n GLY 24 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2pie n GLY 24 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pie s MET 25 N -0.12 0.55 -0.50 1.61 1.00 -1.13 -5.03 119.30 115.68 2pie s MET 25 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 55.69 54.72 2pie s MET 25 Cb 0.00 0.20 0.52 0.00 0.00 0.00 0.00 34.83 35.55 2pie s MET 25 CO 0.00 -0.11 1.81 -1.13 0.00 0.00 0.00 175.02 175.59 2pie n SER 26 N 0.54 5.45 -3.74 3.03 3.41 -1.26 -4.67 113.62 116.38 2pie n SER 26 Ca -0.17 -3.74 -0.10 0.00 -0.26 0.00 0.00 58.87 54.60 2pie n SER 26 Cb 0.59 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2pie n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pie s ALA 27 N -3.57 -0.74 -0.75 7.33 0.00 -1.25 -4.28 121.76 118.50 2pie s ALA 27 Ca 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2pie s ALA 27 Cb 0.47 0.77 0.00 0.00 0.00 0.00 0.00 23.12 24.36 2pie s ALA 27 CO 0.03 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2pie n GLY 28 N -0.26 0.91 3.80 0.00 0.00 -0.71 -4.64 105.19 104.28 2pie n GLY 28 Ca -0.12 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2pie n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pie s TRP 29 N -2.17 2.93 -0.16 1.61 0.52 -0.22 -4.53 118.94 116.93 2pie s TRP 29 Ca 0.00 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.66 2pie s TRP 29 Cb 0.00 -3.07 0.00 0.00 -1.15 0.00 0.00 33.47 29.26 2pie s TRP 29 CO 0.00 -1.11 -0.16 -0.51 0.02 0.00 0.00 176.95 175.20 2pie s LEU 30 N -4.12 2.42 0.17 2.99 1.43 -0.18 -0.65 118.68 120.74 2pie s LEU 30 Ca 0.66 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2pie s LEU 30 Cb -0.17 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 2pie s LEU 30 CO 0.31 0.06 1.07 -0.22 0.23 0.00 0.00 176.35 177.80 2pie s LEU 31 N 0.96 4.50 -0.81 1.79 2.96 -1.26 -0.38 118.68 126.43 2pie s LEU 31 Ca -0.03 2.04 -0.08 0.00 -0.22 0.00 0.00 54.13 55.84 2pie s LEU 31 Cb -0.15 -3.60 0.21 0.00 0.50 0.00 0.00 46.19 43.15 2pie s LEU 31 CO -0.03 -0.18 0.72 -0.76 -1.32 0.00 0.00 176.35 174.77 2pie s LEU 32 N -0.35 6.07 0.07 -0.68 1.43 -0.72 -4.90 118.68 119.59 2pie s LEU 32 Ca 0.49 -3.02 -0.30 0.00 -1.03 0.00 0.00 54.13 50.27 2pie s LEU 32 Cb -0.28 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2pie s LEU 32 CO 0.34 -0.41 1.08 -0.70 0.23 0.00 0.00 176.35 176.88 2pie s GLU 33 N -0.33 4.54 0.16 1.70 2.12 -1.26 -4.21 118.70 121.42 2pie s GLU 33 Ca 0.21 1.60 -0.34 0.00 0.36 0.00 0.00 54.97 56.80 2pie s GLU 33 Cb -0.13 -3.38 -0.14 0.00 0.26 0.00 0.00 34.13 30.74 2pie s GLU 33 CO -0.08 -0.07 1.53 -3.47 -0.54 0.00 0.00 175.26 172.63 2pie n ASP 34 N 3.51 2.88 0.00 -1.70 -0.08 -1.26 -1.63 116.55 118.28 2pie n ASP 34 Ca 0.06 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 2pie n ASP 34 Cb 0.48 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.54 2pie n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pie n GLY 35 N 3.17 0.77 3.62 0.27 0.00 -1.26 -5.03 105.19 106.73 2pie n GLY 35 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2pie n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pie s GLU 37 N -2.92 3.87 -0.29 0.00 2.02 -1.26 -4.47 118.70 115.65 2pie s GLU 37 Ca 0.26 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.83 2pie s GLU 37 Cb -0.09 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.58 2pie s GLU 37 CO 0.17 -0.19 0.05 0.08 0.02 0.00 0.00 175.26 175.40 2pie s VAL 38 N 1.72 3.73 0.02 2.63 1.01 0.38 -4.94 120.40 124.95 2pie s VAL 38 Ca 0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2pie s VAL 38 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2pie s VAL 38 CO 0.09 0.09 0.11 0.42 0.00 0.00 0.00 175.10 175.81 2pie s THR 39 N 1.46 4.90 -0.02 3.92 -4.23 -1.26 -0.29 115.64 120.11 2pie s THR 39 Ca 0.02 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.11 2pie s THR 39 Cb -0.17 -3.29 0.01 0.00 1.34 0.00 0.00 72.50 70.39 2pie s THR 39 CO 0.01 0.28 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.63 2pie s VAL 40 N -1.29 0.43 -0.68 2.29 1.01 -0.64 -1.59 120.40 119.92 2pie s VAL 40 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2pie s VAL 40 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2pie s VAL 40 CO 0.18 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2pie n GLY 41 N 3.41 -1.30 0.56 4.51 0.00 -1.08 -0.86 105.19 110.44 2pie n GLY 41 Ca -0.18 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 44.99 2pie n GLY 41 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pie n ARG 42 N -0.07 1.41 -1.44 1.61 1.85 -0.43 -0.71 116.66 118.87 2pie n ARG 42 Ca 0.00 -1.13 -0.19 0.00 -1.00 0.00 0.00 57.85 55.53 2pie n ARG 42 Cb 0.00 -1.48 0.13 0.00 -1.05 0.00 0.00 32.46 30.06 2pie n ARG 42 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2pie n GLY 43 N 1.39 -0.90 0.04 2.89 0.00 -0.46 -4.77 105.19 103.38 2pie n GLY 43 Ca 0.11 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2pie n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pie n PHE 44 N -3.04 0.00 1.03 1.61 3.72 -1.26 -4.18 117.46 115.34 2pie n PHE 44 Ca 0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.63 2pie n PHE 44 Cb 0.39 -0.22 0.19 0.00 -0.94 0.00 0.00 39.48 38.90 2pie n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pie n GLY 45 N 1.48 -1.07 3.91 1.37 0.00 -1.26 -5.04 105.19 104.58 2pie n GLY 45 Ca 0.06 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2pie n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pie s VAL 46 N -2.91 4.86 0.11 1.61 -7.23 -1.26 -5.00 120.40 110.58 2pie s VAL 46 Ca 0.13 0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.28 2pie s VAL 46 Cb 0.17 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 2pie s VAL 46 CO 0.70 -0.83 1.68 0.74 -0.31 0.00 0.00 175.10 177.08 2pie h THR 47 N 0.22 1.15 -3.44 5.32 2.02 -1.65 -3.41 112.91 113.12 2pie h THR 47 Ca -0.47 -0.44 -0.63 0.00 0.77 0.00 0.00 66.41 65.64 2pie h THR 47 Cb 1.21 0.97 -0.37 0.00 -1.74 0.00 0.00 68.15 68.22 2pie h THR 47 CO 0.62 0.15 -0.82 -0.31 0.37 0.00 0.00 175.52 175.53 2pie s TYR 48 N -5.68 2.59 -0.28 3.16 2.02 -0.71 -0.84 117.35 117.62 2pie s TYR 48 Ca -0.13 -1.70 -0.20 0.00 -0.37 0.00 0.00 57.07 54.66 2pie s TYR 48 Cb 0.08 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2pie s TYR 48 CO 0.72 -0.77 0.63 -1.14 -1.57 0.00 0.00 175.55 173.42 2pie s GLN 49 N 1.34 4.02 0.03 -0.62 0.74 -1.26 -2.63 119.66 121.28 2pie s GLN 49 Ca -0.01 0.44 -0.22 0.00 0.05 0.00 0.00 55.36 55.61 2pie s GLN 49 Cb -0.16 -3.69 -0.06 0.00 1.10 0.00 0.00 33.01 30.21 2pie s GLN 49 CO -0.08 -0.49 0.67 -0.51 -0.55 0.00 0.00 175.29 174.33 2pie s LEU 50 N 2.56 4.44 -0.16 3.68 1.43 0.11 -4.98 118.68 125.76 2pie s LEU 50 Ca 0.26 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.65 2pie s LEU 50 Cb -0.15 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.05 2pie s LEU 50 CO 0.10 0.08 -0.05 -0.69 0.23 0.00 0.00 176.35 176.02 2pie s VAL 51 N -0.22 1.06 -0.19 -1.59 1.01 -1.26 -4.26 120.40 114.94 2pie s VAL 51 Ca 0.34 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2pie s VAL 51 Cb -0.19 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2pie s VAL 51 CO 0.20 0.13 -0.00 -0.55 0.00 0.00 0.00 175.10 174.87 2pie s SER 52 N 1.65 4.91 0.07 3.32 0.15 -1.26 -4.97 113.70 117.57 2pie s SER 52 Ca 0.01 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 2pie s SER 52 Cb -0.15 -1.83 -0.22 0.00 -1.71 0.00 0.00 66.02 62.11 2pie s SER 52 CO -0.08 0.10 1.20 0.50 1.20 0.00 0.00 173.24 176.16 2pie h LYS 53 N 7.23 0.67 -0.40 5.44 3.64 -2.00 -3.17 116.57 127.98 2pie h LYS 53 Ca -0.35 -0.68 -0.05 0.00 -1.27 0.00 0.00 60.65 58.31 2pie h LYS 53 Cb 1.18 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2pie h LYS 53 CO 0.62 1.27 0.07 0.82 -2.27 0.00 0.00 179.45 179.97 2pie h ILE 54 N 0.33 1.24 -1.69 2.00 2.04 -2.07 -3.39 117.51 115.97 2pie h ILE 54 Ca -0.10 -0.84 -0.36 0.00 1.00 0.00 0.00 64.86 64.55 2pie h ILE 54 Cb 1.56 1.02 -0.27 0.00 -0.74 0.00 0.00 36.82 38.39 2pie h ILE 54 CO 0.18 0.29 -0.72 0.00 0.00 0.00 0.00 178.15 177.90 2pie h PRO 56 N 5.61 0.40 -0.34 0.00 0.11 -1.76 -2.85 132.00 133.17 2pie h PRO 56 Ca 0.14 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 2pie h PRO 56 Cb 1.02 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2pie h PRO 56 CO 0.19 0.26 0.00 1.28 -0.21 0.00 0.00 178.00 179.52 2pie n LEU 57 N -4.53 4.35 -0.03 2.35 4.77 -1.26 -4.43 117.00 118.21 2pie n LEU 57 Ca 0.21 -3.01 -0.13 0.00 -0.03 0.00 0.00 56.01 53.04 2pie n LEU 57 Cb 0.73 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 2pie n LEU 57 CO 0.30 0.67 0.58 -0.03 -1.33 0.00 0.00 177.39 177.58 2pie h MET 58 N 2.31 0.12 -6.61 3.23 4.05 -1.93 -3.45 114.93 112.65 2pie h MET 58 Ca 0.00 -0.07 -0.51 0.00 -0.28 0.00 0.00 59.70 58.84 2pie h MET 58 Cb 1.58 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.37 2pie h MET 58 CO 0.29 0.64 0.28 0.42 0.23 0.00 0.00 176.91 178.77 2pie s ILE 59 N -4.01 4.28 0.63 1.77 -1.09 -1.26 -4.55 121.20 116.98 2pie s ILE 59 Ca -0.16 1.92 -0.14 0.00 -2.23 0.00 0.00 60.65 60.04 2pie s ILE 59 Cb 0.02 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2pie s ILE 59 CO 0.70 0.47 1.06 -0.44 -1.23 0.00 0.00 174.94 175.50 2pie s SER 60 N -0.91 5.66 0.22 3.58 0.01 -1.26 -4.62 113.70 116.37 2pie s SER 60 Ca 0.40 1.73 -0.07 0.00 1.31 0.00 0.00 55.95 59.32 2pie s SER 60 Cb -0.24 -2.52 0.32 0.00 0.21 0.00 0.00 66.02 63.79 2pie s SER 60 CO 0.29 -1.25 1.78 0.03 0.41 0.00 0.00 173.24 174.50 2pie h ARG 61 N 0.01 0.59 -4.16 12.44 3.08 -1.93 -1.15 114.38 123.27 2pie h ARG 61 Ca -0.46 -0.04 -0.62 0.00 0.07 0.00 0.00 59.98 58.94 2pie h ARG 61 Cb 1.21 -0.13 -0.40 0.00 0.08 0.00 0.00 29.97 30.73 2pie h ARG 61 CO 0.57 0.39 -0.74 -0.80 -1.07 0.00 0.00 179.97 178.32 2pie s ASN 62 N -5.51 4.42 -0.24 7.04 -0.87 -1.26 -1.35 114.94 117.17 2pie s ASN 62 Ca -0.13 -1.91 -0.17 0.00 -1.57 0.00 0.00 52.86 49.09 2pie s ASN 62 Cb 0.18 -1.27 -0.16 0.00 -0.02 0.00 0.00 41.25 39.98 2pie s ASN 62 CO 0.76 -0.40 -0.07 1.57 -2.57 0.00 0.00 177.10 176.40 2pie n HIS 63 N 4.53 0.51 -3.88 2.20 -0.00 -0.04 -4.66 115.22 113.88 2pie n HIS 63 Ca 0.01 0.21 -0.09 0.00 0.46 0.00 0.00 57.72 58.31 2pie n HIS 63 Cb 0.42 -1.05 -0.05 0.00 -0.12 0.00 0.00 29.99 29.18 2pie n HIS 63 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2pie s VAL 65 N -3.94 0.79 -0.07 0.00 1.01 -0.52 -1.63 120.40 116.04 2pie s VAL 65 Ca 0.15 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2pie s VAL 65 Cb 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2pie s VAL 65 CO 0.01 0.26 -0.18 -0.76 0.00 0.00 0.00 175.10 174.43 2pie s LEU 66 N 0.49 2.49 -0.04 3.92 1.02 0.60 -1.19 118.68 125.97 2pie s LEU 66 Ca -0.08 -0.34 -0.29 0.00 0.02 0.00 0.00 54.13 53.44 2pie s LEU 66 Cb -0.12 -1.50 0.10 0.00 0.02 0.00 0.00 46.19 44.69 2pie s LEU 66 CO 0.01 0.27 0.82 -1.59 0.02 0.00 0.00 176.35 175.88 2pie s LYS 67 N -0.28 0.89 0.25 1.70 -2.85 -0.93 -0.47 119.74 118.05 2pie s LYS 67 Ca 0.01 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.65 2pie s LYS 67 Cb -0.13 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 2pie s LYS 67 CO 0.03 -0.33 1.02 -0.65 0.10 0.00 0.00 175.35 175.52 2pie s GLN 68 N -2.06 4.74 0.97 1.78 -0.21 -1.26 -1.00 119.66 122.62 2pie s GLN 68 Ca -0.02 1.65 -0.15 0.00 0.02 0.00 0.00 55.36 56.86 2pie s GLN 68 Cb -0.01 -3.24 0.18 0.00 1.00 0.00 0.00 33.01 30.94 2pie s GLN 68 CO -0.01 0.34 1.22 0.54 -2.12 0.00 0.00 175.29 175.26 2pie s ASN 69 N -0.93 3.05 0.60 5.90 2.20 0.14 -4.83 114.94 121.07 2pie s ASN 69 Ca 0.43 0.57 0.30 0.00 -0.94 0.00 0.00 52.86 53.22 2pie s ASN 69 Cb -0.29 -0.84 1.62 0.00 -2.00 0.00 0.00 41.25 39.74 2pie s ASN 69 CO 0.36 -2.80 1.90 -0.65 -2.94 0.00 0.00 177.10 172.97 2pie h PRO 70 N -1.68 0.00 -0.01 3.55 0.11 -1.97 0.92 132.00 132.92 2pie h PRO 70 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pie h PRO 70 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pie h PRO 70 CO 0.47 0.00 -0.10 0.39 -0.21 0.00 0.00 178.00 178.55 2pie n GLU 71 N -2.76 1.32 -0.33 1.05 1.02 -1.26 -4.96 120.64 114.71 2pie n GLU 71 Ca -0.02 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 2pie n GLU 71 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2pie n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pie n GLY 72 N 1.24 0.78 3.74 0.62 0.00 0.32 -5.05 105.19 106.84 2pie n GLY 72 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2pie n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pie s GLN 73 N -0.67 4.27 0.41 1.61 2.00 -1.26 -4.76 119.66 121.27 2pie s GLN 73 Ca 0.00 0.39 -0.26 0.00 -2.00 0.00 0.00 55.36 53.49 2pie s GLN 73 Cb 0.00 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 30.32 2pie s GLN 73 CO 0.00 0.25 1.39 -1.58 -0.50 0.00 0.00 175.29 174.85 2pie s TRP 74 N 0.35 2.64 0.10 1.67 0.52 -1.26 -0.68 118.94 122.28 2pie s TRP 74 Ca 0.24 1.30 0.01 0.00 0.02 0.00 0.00 56.10 57.67 2pie s TRP 74 Cb -0.15 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.28 2pie s TRP 74 CO 0.10 -2.61 -0.03 0.95 0.02 0.00 0.00 176.95 175.37 2pie s THR 75 N -1.20 0.53 0.11 2.01 -4.23 -0.17 -1.49 115.64 111.19 2pie s THR 75 Ca 0.57 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.24 2pie s THR 75 Cb -0.42 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 2pie s THR 75 CO 0.55 -0.80 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.16 2pie s ILE 76 N -3.74 1.46 -0.05 2.99 2.07 -0.06 -2.19 121.20 121.68 2pie s ILE 76 Ca 0.14 -1.60 -0.04 0.00 -1.41 0.00 0.00 60.65 57.75 2pie s ILE 76 Cb 0.06 -1.47 0.02 0.00 0.13 0.00 0.00 42.46 41.20 2pie s ILE 76 CO -0.04 -0.25 0.12 -0.32 -1.91 0.00 0.00 174.94 172.54 2pie s MET 77 N -2.24 0.12 -0.32 3.50 -2.45 -0.34 -1.22 119.30 116.36 2pie s MET 77 Ca 0.06 0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.44 2pie s MET 77 Cb -0.08 -0.02 0.01 0.00 1.25 0.00 0.00 34.83 35.99 2pie s MET 77 CO 0.04 -0.07 1.16 0.34 1.05 0.00 0.00 175.02 177.53 2pie s ASP 78 N 0.44 6.83 -1.19 1.11 2.15 -1.26 -1.44 116.67 123.31 2pie s ASP 78 Ca -0.03 1.07 -0.06 0.00 0.43 0.00 0.00 52.55 53.95 2pie s ASP 78 Cb -0.05 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2pie s ASP 78 CO -0.02 -0.97 2.67 -3.20 -0.17 0.00 0.00 175.17 173.49 2pie n ASN 79 N 7.17 7.83 -3.85 -0.34 5.15 -0.40 -0.90 115.26 129.92 2pie n ASN 79 Ca 0.13 -2.96 -0.30 0.00 -0.60 0.00 0.00 54.58 50.85 2pie n ASN 79 Cb 0.47 -1.40 0.03 0.00 -0.53 0.00 0.00 39.78 38.35 2pie n ASN 79 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2pie n LYS 80 N 2.13 -5.43 -1.80 1.20 5.02 -1.26 -4.75 118.16 113.26 2pie n LYS 80 Ca 0.63 0.60 -0.36 0.00 -2.02 0.00 0.00 58.31 57.17 2pie n LYS 80 Cb 0.33 -5.49 0.06 0.00 -0.02 0.00 0.00 35.03 29.91 2pie n LYS 80 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pie s SER 81 N -3.24 4.82 0.05 4.39 1.04 -1.26 -4.94 113.70 114.55 2pie s SER 81 Ca 0.64 2.40 -0.20 0.00 0.48 0.00 0.00 55.95 59.28 2pie s SER 81 Cb -0.32 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 63.07 2pie s SER 81 CO 0.79 -1.85 1.38 0.25 0.98 0.00 0.00 173.24 174.80 2pie h LEU 82 N 0.47 0.36 -1.87 2.42 5.85 -1.91 -3.34 115.31 117.29 2pie h LEU 82 Ca -0.50 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.78 2pie h LEU 82 Cb 1.30 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2pie h LEU 82 CO 0.53 0.73 0.00 0.59 -0.34 0.00 0.00 178.44 179.95 2pie n ASN 83 N -4.60 2.86 0.00 1.25 3.02 -1.26 -5.07 115.26 111.46 2pie n ASN 83 Ca -0.06 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2pie n ASN 83 Cb 0.33 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2pie n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pie n GLY 84 N 1.26 1.69 3.15 7.41 0.00 -1.26 -4.25 105.19 113.19 2pie n GLY 84 Ca 0.13 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 2pie n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pie s VAL 85 N -2.50 1.43 -0.07 1.61 1.01 -1.26 -1.27 120.40 119.35 2pie s VAL 85 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2pie s VAL 85 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2pie s VAL 85 CO 0.00 0.41 -0.19 0.26 0.00 0.00 0.00 175.10 175.58 2pie s TRP 86 N -0.11 1.99 -0.23 5.22 0.51 -0.41 -0.95 118.94 124.97 2pie s TRP 86 Ca -0.00 -0.69 -0.03 0.00 -2.12 0.00 0.00 56.10 53.25 2pie s TRP 86 Cb -0.10 -1.35 -0.00 0.00 -0.81 0.00 0.00 33.47 31.21 2pie s TRP 86 CO 0.01 -0.27 -0.05 -1.17 -0.51 0.00 0.00 176.95 174.96 2pie s LEU 87 N 0.25 2.95 -1.28 2.99 2.96 -0.12 -1.12 118.68 125.30 2pie s LEU 87 Ca -0.11 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.16 2pie s LEU 87 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.83 2pie s LEU 87 CO 0.05 -0.05 0.57 0.59 -1.32 0.00 0.00 176.35 176.19 2pie n ASN 88 N 4.77 -2.81 -3.38 3.68 3.02 0.27 -2.53 115.26 118.29 2pie n ASN 88 Ca -0.18 -1.09 -0.18 0.00 -0.03 0.00 0.00 54.58 53.10 2pie n ASN 88 Cb 0.50 -2.77 0.07 0.00 -0.61 0.00 0.00 39.78 36.97 2pie n ASN 88 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2pie n ARG 89 N -4.47 -3.51 -3.64 3.52 1.85 -1.26 -5.00 116.66 104.14 2pie n ARG 89 Ca -0.19 0.80 -0.05 0.00 -1.00 0.00 0.00 57.85 57.41 2pie n ARG 89 Cb 0.63 -5.62 -0.07 0.00 -1.05 0.00 0.00 32.46 26.35 2pie n ARG 89 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2pie s ALA 90 N -3.41 -2.16 0.02 2.89 0.00 -1.05 -5.14 121.76 112.91 2pie s ALA 90 Ca 0.30 2.12 -0.30 0.00 0.00 0.00 0.00 51.96 54.08 2pie s ALA 90 Cb -0.05 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2pie s ALA 90 CO 0.76 -0.31 1.15 0.50 0.00 0.00 0.00 175.76 177.85 2pie s ARG 91 N 1.01 4.44 0.36 0.00 6.06 -1.26 -0.95 118.95 128.61 2pie s ARG 91 Ca -0.05 1.67 -0.25 0.00 -2.50 0.00 0.00 55.73 54.60 2pie s ARG 91 Cb -0.04 -3.41 -0.10 0.00 0.06 0.00 0.00 34.95 31.46 2pie s ARG 91 CO -0.13 -0.25 0.99 -0.51 -2.50 0.00 0.00 175.30 172.90 2pie s LEU 92 N 1.30 4.24 0.00 -0.88 1.43 -0.12 -4.94 118.68 119.70 2pie s LEU 92 Ca 0.57 1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 55.29 2pie s LEU 92 Cb -0.27 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 2pie s LEU 92 CO 0.27 -0.25 1.21 -1.61 0.23 0.00 0.00 176.35 176.20 2pie s GLU 93 N -2.28 4.39 0.21 1.70 2.02 -1.26 -4.79 118.70 118.68 2pie s GLU 93 Ca 0.54 1.73 -0.32 0.00 0.02 0.00 0.00 54.97 56.94 2pie s GLU 93 Cb -0.20 -3.47 -0.15 0.00 0.10 0.00 0.00 34.13 30.42 2pie s GLU 93 CO 0.25 -0.37 1.27 -2.30 0.02 0.00 0.00 175.26 174.14 2pie n PRO 94 N 4.63 1.58 -0.43 0.39 -0.02 -1.26 -2.09 135.00 137.80 2pie n PRO 94 Ca 0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2pie n PRO 94 Cb 0.46 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2pie n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pie n LEU 95 N 2.04 0.22 -4.76 2.45 4.77 -0.08 -4.95 117.00 116.69 2pie n LEU 95 Ca 0.13 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 2pie n LEU 95 Cb 0.28 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2pie n LEU 95 CO 0.62 -0.11 0.75 -0.60 -1.33 0.00 0.00 177.39 176.71 2pie s ARG 96 N -0.22 4.70 -0.16 3.23 3.52 -0.89 -4.93 118.95 124.21 2pie s ARG 96 Ca 0.00 1.70 -0.18 0.00 -0.13 0.00 0.00 55.73 57.13 2pie s ARG 96 Cb 0.00 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2pie s ARG 96 CO 0.00 0.30 0.47 0.08 -0.81 0.00 0.00 175.30 175.34 2pie s VAL 97 N -1.18 5.17 -0.10 7.11 1.01 -1.26 -4.42 120.40 126.74 2pie s VAL 97 Ca 0.44 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.34 2pie s VAL 97 Cb -0.30 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2pie s VAL 97 CO 0.38 0.27 -0.24 -0.31 0.00 0.00 0.00 175.10 175.21 2pie s TYR 98 N 1.03 2.54 0.40 5.22 1.51 -0.35 -4.98 117.35 122.72 2pie s TYR 98 Ca 0.24 -1.04 -0.26 0.00 -1.01 0.00 0.00 57.07 55.00 2pie s TYR 98 Cb -0.15 -1.70 -0.08 0.00 -0.11 0.00 0.00 41.96 39.92 2pie s TYR 98 CO 0.09 -0.42 1.24 -1.12 -1.11 0.00 0.00 175.55 174.23 2pie s SER 99 N 0.35 6.40 -0.02 2.29 0.01 -1.26 -0.88 113.70 120.59 2pie s SER 99 Ca -0.19 2.51 0.07 0.00 1.31 0.00 0.00 55.95 59.65 2pie s SER 99 Cb -0.18 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 2pie s SER 99 CO 0.09 -0.78 -0.23 0.27 0.41 0.00 0.00 173.24 173.00 2pie s ILE 100 N -1.33 1.79 0.23 1.44 -4.36 -0.56 -4.86 121.20 113.56 2pie s ILE 100 Ca 0.57 -0.97 0.06 0.00 -0.26 0.00 0.00 60.65 60.05 2pie s ILE 100 Cb -0.35 -1.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.82 2pie s ILE 100 CO 0.44 0.51 -0.07 -1.00 0.24 0.00 0.00 174.94 175.05 2pie s HIS 101 N -0.53 1.71 -0.02 1.37 3.76 -1.26 -4.58 115.29 115.73 2pie s HIS 101 Ca 0.09 -0.72 -0.37 0.00 -0.15 0.00 0.00 55.06 53.90 2pie s HIS 101 Cb -0.09 -0.92 -0.16 0.00 1.11 0.00 0.00 32.58 32.53 2pie s HIS 101 CO -0.01 0.20 1.50 0.94 -0.85 0.00 0.00 174.74 176.52 2pie n GLN 102 N -0.44 1.29 -0.16 1.40 -0.06 -1.26 -1.53 117.38 116.62 2pie n GLN 102 Ca -0.07 0.47 0.00 0.00 -2.00 0.00 0.00 57.00 55.40 2pie n GLN 102 Cb 0.62 -2.14 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 2pie n GLN 102 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2pie n GLY 103 N 3.16 1.21 3.77 1.69 0.00 0.06 -5.03 105.19 110.05 2pie n GLY 103 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2pie n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pie s ASP 104 N -2.98 5.73 -0.08 1.61 1.01 -0.58 -4.78 116.67 116.60 2pie s ASP 104 Ca 0.00 2.26 0.01 0.00 0.71 0.00 0.00 52.55 55.53 2pie s ASP 104 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2pie s ASP 104 CO 0.00 -1.22 -0.08 -0.31 0.21 0.00 0.00 175.17 173.77 2pie s TYR 105 N -1.67 2.90 -0.11 4.23 2.02 -1.26 -0.47 117.35 122.99 2pie s TYR 105 Ca 0.71 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 57.37 2pie s TYR 105 Cb -0.27 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 2pie s TYR 105 CO 0.30 0.25 -0.23 0.42 -1.57 0.00 0.00 175.55 174.72 2pie s ILE 106 N -0.63 2.00 -0.14 2.71 1.01 0.28 -0.57 121.20 125.86 2pie s ILE 106 Ca 0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2pie s ILE 106 Cb -0.11 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2pie s ILE 106 CO 0.02 0.54 -0.12 -1.58 0.00 0.00 0.00 174.94 173.80 2pie s GLN 107 N 0.51 3.37 -0.22 2.79 0.74 -0.28 -0.55 119.66 126.02 2pie s GLN 107 Ca -0.15 -0.68 -0.07 0.00 0.05 0.00 0.00 55.36 54.51 2pie s GLN 107 Cb -0.17 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 2pie s GLN 107 CO 0.05 0.15 0.06 -0.51 -0.55 0.00 0.00 175.29 174.48 2pie s LEU 108 N 0.53 3.48 0.00 3.68 1.43 -0.32 -1.29 118.68 126.20 2pie s LEU 108 Ca -0.08 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2pie s LEU 108 Cb -0.16 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2pie s LEU 108 CO 0.04 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2pie n GLY 109 N 4.49 -1.05 3.18 -3.19 0.00 -0.40 -4.37 105.19 103.86 2pie n GLY 109 Ca -0.16 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 2pie n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pie s VAL 110 N 0.00 0.79 0.50 1.61 -7.23 -1.26 -4.81 120.40 109.99 2pie s VAL 110 Ca 0.00 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 57.99 2pie s VAL 110 Cb 0.00 -1.70 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 2pie s VAL 110 CO 0.00 -0.84 1.31 -2.84 -0.31 0.00 0.00 175.10 172.42 2pie s PRO 111 N -3.78 3.45 0.92 4.82 0.02 -1.26 -4.57 135.00 134.59 2pie s PRO 111 Ca 0.12 2.14 -0.14 0.00 0.02 0.00 0.00 61.00 63.14 2pie s PRO 111 Cb 0.05 -2.40 0.15 0.00 0.02 0.00 0.00 34.50 32.32 2pie s PRO 111 CO -0.04 -0.91 1.21 -0.51 -0.33 0.00 0.00 177.00 176.42 2pie s LEU 112 N -3.18 2.28 0.26 -5.54 1.43 -1.26 -4.95 118.68 107.73 2pie s LEU 112 Ca 0.67 0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 2pie s LEU 112 Cb -0.38 -2.89 -0.12 0.00 0.03 0.00 0.00 46.19 42.83 2pie s LEU 112 CO 0.46 -2.53 1.54 -0.62 0.23 0.00 0.00 176.35 175.43 2pie n GLU 113 N -3.71 2.47 -1.93 1.70 1.02 -1.26 -2.08 120.64 116.85 2pie n GLU 113 Ca 0.10 0.88 -0.18 0.00 -0.02 0.00 0.00 57.16 57.94 2pie n GLU 113 Cb 0.60 -2.63 -0.04 0.00 -0.02 0.00 0.00 31.44 29.35 2pie n GLU 113 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2pie n ASN 114 N 2.34 -5.28 -4.34 1.62 5.15 -1.26 -4.99 115.26 108.50 2pie n ASN 114 Ca 0.10 0.22 -0.32 0.00 -0.60 0.00 0.00 54.58 53.99 2pie n ASN 114 Cb 0.35 -4.38 -0.15 0.00 -0.53 0.00 0.00 39.78 35.07 2pie n ASN 114 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2pie s LYS 115 N -4.22 2.48 0.13 1.20 -0.14 -0.88 -5.02 119.74 113.28 2pie s LYS 115 Ca 0.00 -0.84 -0.07 0.00 -1.36 0.00 0.00 55.97 53.70 2pie s LYS 115 Cb 0.00 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 33.85 2pie s LYS 115 CO 0.00 0.48 1.33 1.49 -0.76 0.00 0.00 175.35 177.90 2pie h GLU 116 N 5.76 0.55 -5.92 1.68 4.81 -1.94 -3.43 114.58 116.09 2pie h GLU 116 Ca -0.38 -0.50 -0.52 0.00 -0.13 0.00 0.00 59.36 57.83 2pie h GLU 116 Cb 1.16 0.12 -0.22 0.00 0.63 0.00 0.00 28.75 30.44 2pie h GLU 116 CO 0.49 1.13 -0.81 -0.80 -0.73 0.00 0.00 179.01 178.28 2pie s ASN 117 N -7.08 2.28 0.66 1.04 0.01 -1.26 -4.91 114.94 105.68 2pie s ASN 117 Ca -0.07 -0.66 -0.17 0.00 -0.71 0.00 0.00 52.86 51.25 2pie s ASN 117 Cb 0.09 -0.12 -0.00 0.00 0.41 0.00 0.00 41.25 41.63 2pie s ASN 117 CO 0.88 0.02 1.23 0.00 -1.51 0.00 0.00 177.10 177.72 2pie s ALA 118 N -1.17 2.35 0.12 0.60 0.00 -1.26 -4.55 121.76 117.84 2pie s ALA 118 Ca 0.04 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 2pie s ALA 118 Cb -0.10 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 2pie s ALA 118 CO 0.04 -1.53 1.71 1.49 0.00 0.00 0.00 175.76 177.47 2pie h GLU 119 N 0.36 -0.02 -4.02 0.00 4.81 -1.86 -3.37 114.58 110.49 2pie h GLU 119 Ca -0.49 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 57.96 2pie h GLU 119 Cb 1.31 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.44 2pie h GLU 119 CO 0.53 -0.01 0.19 0.71 -0.73 0.00 0.00 179.01 179.69 2pie s TYR 120 N -6.20 3.65 -0.04 0.92 1.51 -1.26 -4.98 117.35 110.94 2pie s TYR 120 Ca -0.13 -1.87 0.07 0.00 -1.01 0.00 0.00 57.07 54.12 2pie s TYR 120 Cb 0.09 -3.89 -0.01 0.00 -0.11 0.00 0.00 41.96 38.04 2pie s TYR 120 CO 0.68 -1.06 -0.25 -2.00 -1.11 0.00 0.00 175.55 171.80 2pie s GLU 121 N 0.60 2.40 0.05 -0.62 2.12 -1.26 -1.17 118.70 120.83 2pie s GLU 121 Ca 0.19 -0.91 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2pie s GLU 121 Cb -0.10 -2.13 -0.02 0.00 0.26 0.00 0.00 34.13 32.13 2pie s GLU 121 CO -0.08 0.45 -0.12 0.71 -0.54 0.00 0.00 175.26 175.68 2pie s TYR 122 N -0.33 1.04 -0.17 5.30 2.02 0.29 -1.13 117.35 124.36 2pie s TYR 122 Ca 0.01 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.19 2pie s TYR 122 Cb -0.12 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2pie s TYR 122 CO 0.02 0.01 0.14 -2.00 -1.57 0.00 0.00 175.55 172.15 2pie s GLU 123 N -1.48 3.97 -0.27 -0.62 2.12 0.12 -0.56 118.70 121.99 2pie s GLU 123 Ca -0.03 -0.17 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 2pie s GLU 123 Cb -0.09 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2pie s GLU 123 CO 0.01 0.44 1.05 0.08 -0.54 0.00 0.00 175.26 176.31 2pie s VAL 124 N -0.06 4.61 -0.02 3.70 1.01 0.38 -0.67 120.40 129.35 2pie s VAL 124 Ca 0.11 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 2pie s VAL 124 Cb -0.11 -4.35 0.04 0.00 0.00 0.00 0.00 36.38 31.95 2pie s VAL 124 CO 0.00 -0.30 0.40 0.28 0.00 0.00 0.00 175.10 175.49 2pie s THR 125 N 3.38 0.04 -0.29 3.92 -1.32 -0.77 -0.76 115.64 119.84 2pie s THR 125 Ca 0.44 -0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 60.49 2pie s THR 125 Cb -0.14 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2pie s THR 125 CO 0.10 -0.20 0.10 -0.70 -2.21 0.00 0.00 174.62 171.71 2pie s GLU 126 N -1.34 3.35 0.23 7.08 2.12 -1.26 -1.07 118.70 127.80 2pie s GLU 126 Ca -0.13 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.54 2pie s GLU 126 Cb -0.04 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 2pie s GLU 126 CO 0.05 -0.35 0.03 -1.21 -0.54 0.00 0.00 175.26 173.24 2pie s GLU 127 N 1.57 1.31 0.35 4.30 2.02 -0.58 -4.94 118.70 122.73 2pie s GLU 127 Ca 0.04 -1.67 -0.28 0.00 0.02 0.00 0.00 54.97 53.08 2pie s GLU 127 Cb -0.16 -0.44 -0.11 0.00 0.10 0.00 0.00 34.13 33.52 2pie s GLU 127 CO 0.04 -0.16 1.38 -0.51 0.02 0.00 0.00 175.26 176.03 2pie s ASP 128 N -3.28 6.59 0.27 -0.19 -0.00 -1.26 -1.64 116.67 117.15 2pie s ASP 128 Ca 0.30 2.84 -0.01 0.00 -0.00 0.00 0.00 52.55 55.68 2pie s ASP 128 Cb 0.06 -2.66 0.52 0.00 -0.00 0.00 0.00 42.92 40.84 2pie s ASP 128 CO 0.09 -0.68 1.80 -0.25 -0.00 0.00 0.00 175.17 176.13 2pie h TRP 129 N 3.26 0.95 -0.56 4.23 2.91 -1.32 -1.55 115.95 123.86 2pie h TRP 129 Ca -0.50 0.03 0.08 0.00 1.13 0.00 0.00 58.89 59.64 2pie h TRP 129 Cb 1.23 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 2pie h TRP 129 CO 0.55 0.33 0.38 0.93 -1.03 0.00 0.00 178.44 179.59 2pie h GLU 130 N 0.81 0.42 -0.14 2.65 5.08 -1.82 -0.72 114.58 120.86 2pie h GLU 130 Ca 0.46 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.63 2pie h GLU 130 Cb 0.53 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2pie h GLU 130 CO -0.30 0.28 -0.56 1.15 -1.00 0.00 0.00 179.01 178.58 2pie h THR 131 N 0.43 1.33 -0.02 1.13 2.02 -1.69 -3.39 112.91 112.73 2pie h THR 131 Ca 0.25 -1.83 -0.13 0.00 0.77 0.00 0.00 66.41 65.48 2pie h THR 131 Cb 0.43 2.07 0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2pie h THR 131 CO -0.07 0.56 -0.49 0.40 0.37 0.00 0.00 175.52 176.29 2pie h ILE 132 N 0.27 1.45 -0.67 3.11 2.04 -0.69 -3.39 117.51 119.62 2pie h ILE 132 Ca -0.03 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2pie h ILE 132 Cb 1.19 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.80 2pie h ILE 132 CO 0.12 0.57 0.42 0.10 0.00 0.00 0.00 178.15 179.36 2pie h TYR 133 N -0.17 0.87 0.00 1.37 -0.00 -1.35 -0.19 116.97 117.49 2pie h TYR 133 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 2pie h TYR 133 Cb 1.20 -0.29 0.00 0.00 -0.00 0.00 0.00 36.73 37.64 2pie h TYR 133 CO 0.15 0.57 0.00 -2.30 -0.00 0.00 0.00 178.16 176.58 2pie n PRO 134 N -4.41 0.18 0.00 0.10 -0.02 -1.26 -3.02 135.00 126.57 2pie n PRO 134 Ca 0.07 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 2pie n PRO 134 Cb 0.06 -1.88 0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2pie n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pie s LEU 136 N -1.91 4.46 0.49 0.00 1.43 -1.16 -1.05 118.68 120.93 2pie s LEU 136 Ca 0.17 2.39 -0.23 0.00 -1.03 0.00 0.00 54.13 55.43 2pie s LEU 136 Cb 0.14 -3.70 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 2pie s LEU 136 CO 0.36 -0.33 1.36 -0.55 0.23 0.00 0.00 176.35 177.43 2pie s SER 137 N -0.82 5.65 0.55 2.29 0.15 0.18 -4.50 113.70 117.19 2pie s SER 137 Ca 0.48 2.77 -0.21 0.00 0.70 0.00 0.00 55.95 59.68 2pie s SER 137 Cb -0.34 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.29 2pie s SER 137 CO 0.44 -1.31 1.32 -2.16 1.20 0.00 0.00 173.24 172.72 2pie s PRO 138 N -2.67 3.17 0.45 5.44 0.04 -1.26 -4.95 135.00 135.22 2pie s PRO 138 Ca 0.66 2.13 -0.23 0.00 0.04 0.00 0.00 61.00 63.60 2pie s PRO 138 Cb -0.40 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 2pie s PRO 138 CO 0.50 -1.13 1.14 0.15 0.04 0.00 0.00 177.00 177.69 2pie s LYS 139 N -2.94 3.83 0.00 4.56 -0.14 -1.26 -4.73 119.74 119.06 2pie s LYS 139 Ca 0.72 1.71 0.25 0.00 -1.36 0.00 0.00 55.97 57.29 2pie s LYS 139 Cb -0.38 -2.42 1.52 0.00 -1.68 0.00 0.00 37.83 34.87 2pie s LYS 139 CO 0.44 -0.47 1.87 -1.71 -0.76 0.00 0.00 175.35 174.72