#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ n THR 2 N 0.00 -0.35 0.00 2.03 -2.24 -1.26 -4.98 114.28 107.48 2occ n THR 2 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2occ n THR 2 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2occ n THR 2 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2occ n HIS 3 N 0.51 0.00 -3.39 4.78 -0.00 -1.26 -5.12 115.22 110.74 2occ n HIS 3 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2occ n HIS 3 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.01 2occ n HIS 3 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2occ s GLN 4 N 1.51 4.09 -0.26 1.57 -2.07 -1.26 -4.99 119.66 118.25 2occ s GLN 4 Ca 0.00 0.52 0.10 0.00 -1.82 0.00 0.00 55.36 54.16 2occ s GLN 4 Cb 0.00 -3.27 0.48 0.00 -1.09 0.00 0.00 33.01 29.13 2occ s GLN 4 CO 0.00 0.56 1.40 0.25 -1.32 0.00 0.00 175.29 176.19 2occ n THR 5 N 2.17 2.45 -4.47 3.63 -2.24 -1.26 -5.00 114.28 109.57 2occ n THR 5 Ca -0.11 -2.78 -0.24 0.00 -2.27 0.00 0.00 64.05 58.65 2occ n THR 5 Cb 0.52 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2occ n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2occ s HIS 6 N -3.21 2.21 -2.07 4.78 0.00 -1.26 -5.06 115.29 110.69 2occ s HIS 6 Ca 0.43 -0.43 0.14 0.00 -3.00 0.00 0.00 55.06 52.19 2occ s HIS 6 Cb 0.39 -1.07 0.43 0.00 -4.00 0.00 0.00 32.58 28.33 2occ s HIS 6 CO -0.01 0.60 1.34 0.00 -1.00 0.00 0.00 174.74 175.67 2occ n ALA 7 N -0.63 2.46 -2.20 -1.38 0.00 -1.26 -4.95 120.51 112.55 2occ n ALA 7 Ca -0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 53.44 52.51 2occ n ALA 7 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2occ n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2occ s TYR 8 N -1.59 3.57 -0.32 0.00 2.02 -1.26 -4.52 117.35 115.25 2occ s TYR 8 Ca 0.26 0.88 -0.15 0.00 -0.37 0.00 0.00 57.07 57.69 2occ s TYR 8 Cb 0.14 -2.38 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 2occ s TYR 8 CO 0.19 -0.36 0.35 -1.58 -1.57 0.00 0.00 175.55 172.59 2occ s HIS 9 N -2.82 3.22 -0.45 2.71 5.65 -1.26 -5.04 115.29 117.30 2occ s HIS 9 Ca 0.49 0.11 -0.18 0.00 0.25 0.00 0.00 55.06 55.72 2occ s HIS 9 Cb -0.10 -2.63 0.04 0.00 -1.18 0.00 0.00 32.58 28.70 2occ s HIS 9 CO 0.46 -0.36 0.52 -1.64 -0.65 0.00 0.00 174.74 173.08 2occ s MET 10 N 2.02 3.13 0.27 2.88 -1.94 -1.26 -5.06 119.30 119.34 2occ s MET 10 Ca 0.12 -0.77 -0.25 0.00 -1.71 0.00 0.00 55.69 53.09 2occ s MET 10 Cb -0.16 -4.01 -0.09 0.00 2.01 0.00 0.00 34.83 32.58 2occ s MET 10 CO 0.11 -0.99 0.87 0.14 -0.01 0.00 0.00 175.02 175.14 2occ s VAL 11 N 2.35 4.30 0.47 -6.03 -7.23 -1.26 -5.03 120.40 107.97 2occ s VAL 11 Ca 0.14 1.72 -0.24 0.00 -1.81 0.00 0.00 61.98 61.79 2occ s VAL 11 Cb -0.18 -4.03 -0.07 0.00 0.56 0.00 0.00 36.38 32.66 2occ s VAL 11 CO 0.14 0.25 1.30 0.20 -0.31 0.00 0.00 175.10 176.68 2occ s ASN 12 N -1.51 5.89 0.03 4.85 0.02 -1.26 -4.88 114.94 118.08 2occ s ASN 12 Ca 0.45 2.63 -0.36 0.00 -1.02 0.00 0.00 52.86 54.57 2occ s ASN 12 Cb -0.20 -2.63 -0.15 0.00 0.02 0.00 0.00 41.25 38.29 2occ s ASN 12 CO 0.24 -1.14 1.56 -2.65 0.02 0.00 0.00 177.10 175.14 2occ n PRO 13 N -0.43 1.62 -4.80 -0.60 -0.02 -1.26 -4.95 135.00 124.55 2occ n PRO 13 Ca 0.07 0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 61.86 2occ n PRO 13 Cb 0.45 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 2occ n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2occ s SER 14 N 1.61 2.83 0.00 2.55 0.15 -1.26 -5.03 113.70 114.55 2occ s SER 14 Ca 0.86 -0.55 0.26 0.00 0.70 0.00 0.00 55.95 57.22 2occ s SER 14 Cb -0.85 -0.25 0.63 0.00 -1.71 0.00 0.00 66.02 63.85 2occ s SER 14 CO 0.47 0.22 1.49 -0.81 1.20 0.00 0.00 173.24 175.81 2occ n PRO 15 N 1.86 0.43 -0.33 5.44 -0.04 -1.26 -4.29 135.00 136.81 2occ n PRO 15 Ca -0.17 -0.25 -0.00 0.00 -0.04 0.00 0.00 63.50 63.04 2occ n PRO 15 Cb 0.53 -1.49 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 2occ n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2occ h TRP 16 N 0.61 1.15 -0.94 0.54 -0.00 -1.95 -1.86 115.95 113.50 2occ h TRP 16 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2occ h TRP 16 Cb 0.50 -0.39 -0.05 0.00 -0.00 0.00 0.00 29.16 29.23 2occ h TRP 16 CO 0.00 0.70 0.60 -1.35 -0.00 0.00 0.00 178.44 178.39 2occ h PRO 17 N 1.22 1.25 -0.20 0.49 0.11 -1.98 0.16 132.00 133.04 2occ h PRO 17 Ca 0.35 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 2occ h PRO 17 Cb -0.08 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.75 2occ h PRO 17 CO -0.09 0.84 0.01 1.25 -0.21 0.00 0.00 178.00 179.80 2occ h LEU 18 N 1.28 0.34 -0.97 2.35 7.12 -1.66 -0.93 115.31 122.84 2occ h LEU 18 Ca 0.34 -0.29 -0.11 0.00 0.13 0.00 0.00 57.88 57.95 2occ h LEU 18 Cb -0.12 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 2occ h LEU 18 CO -0.07 0.55 -0.48 0.71 -0.13 0.00 0.00 178.44 179.02 2occ h THR 19 N 0.12 1.35 -0.34 1.05 1.35 -1.16 -0.65 112.91 114.63 2occ h THR 19 Ca 0.06 -1.67 -0.15 0.00 -0.55 0.00 0.00 66.41 64.10 2occ h THR 19 Cb 0.37 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 2occ h THR 19 CO 0.01 0.48 -0.37 1.23 -0.25 0.00 0.00 175.52 176.62 2occ h GLY 20 N 1.41 0.86 1.03 5.82 0.00 -0.52 0.60 103.07 112.27 2occ h GLY 20 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 2occ h GLY 20 CO 0.07 0.77 -0.26 0.00 0.00 0.00 0.00 176.54 177.12 2occ h ALA 21 N 0.92 0.52 -0.32 3.60 0.00 -0.81 -2.19 119.26 120.99 2occ h ALA 21 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2occ h ALA 21 Cb 0.92 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2occ h ALA 21 CO 0.08 0.52 -0.14 -0.07 0.00 0.00 0.00 179.25 179.65 2occ h LEU 22 N 0.61 0.55 -0.64 0.00 4.07 -0.98 -2.36 115.31 116.56 2occ h LEU 22 Ca 0.07 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 57.91 2occ h LEU 22 Cb 0.83 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 2occ h LEU 22 CO 0.07 0.72 0.38 0.28 -1.08 0.00 0.00 178.44 178.81 2occ h SER 23 N 0.52 0.61 -0.90 -0.43 0.02 -0.59 -0.86 113.55 111.92 2occ h SER 23 Ca 0.09 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2occ h SER 23 Cb 0.55 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2occ h SER 23 CO 0.03 0.42 0.50 0.00 -1.14 0.00 0.00 176.83 176.64 2occ h ALA 24 N 1.29 1.18 -0.68 3.77 0.00 -1.01 -0.19 119.26 123.62 2occ h ALA 24 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2occ h ALA 24 Cb 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2occ h ALA 24 CO -0.12 0.66 0.23 1.25 0.00 0.00 0.00 179.25 181.27 2occ h LEU 25 N 1.26 0.97 -0.69 0.00 5.85 -0.77 -1.95 115.31 119.98 2occ h LEU 25 Ca 0.32 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2occ h LEU 25 Cb 0.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2occ h LEU 25 CO -0.05 0.91 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.68 2occ h LEU 26 N 0.98 0.81 -0.20 2.25 4.07 -0.81 -1.73 115.31 120.68 2occ h LEU 26 Ca 0.22 -0.28 -0.21 0.00 0.08 0.00 0.00 57.88 57.69 2occ h LEU 26 Cb 0.27 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 41.80 2occ h LEU 26 CO -0.01 0.99 -0.70 0.24 -1.08 0.00 0.00 178.44 177.88 2occ h MET 27 N 0.70 0.82 0.01 1.13 2.86 -0.82 -0.99 114.93 118.64 2occ h MET 27 Ca 0.10 -0.62 -0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2occ h MET 27 Cb 0.72 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2occ h MET 27 CO 0.06 1.24 -0.00 1.79 1.06 0.00 0.00 176.91 181.05 2occ h THR 28 N 0.58 1.48 0.00 2.22 1.35 -1.35 0.54 112.91 117.72 2occ h THR 28 Ca -0.03 -1.49 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 2occ h THR 28 Cb 1.33 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 70.23 2occ h THR 28 CO 0.15 0.38 -0.17 0.77 -0.25 0.00 0.00 175.52 176.40 2occ h SER 29 N -0.65 0.00 0.17 5.36 4.64 -1.44 -0.36 113.55 121.27 2occ h SER 29 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2occ h SER 29 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2occ h SER 29 CO 0.00 0.17 -0.63 1.23 -0.87 0.00 0.00 176.83 176.73 2occ h GLY 30 N 1.43 0.49 1.92 -0.77 0.00 -1.06 -0.25 103.07 104.83 2occ h GLY 30 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 2occ h GLY 30 CO 0.02 0.56 -0.53 1.41 0.00 0.00 0.00 176.54 178.00 2occ h LEU 31 N 0.33 0.09 -0.72 3.11 3.38 0.09 -0.91 115.31 120.67 2occ h LEU 31 Ca -0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2occ h LEU 31 Cb 1.18 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2occ h LEU 31 CO 0.11 0.60 -0.49 0.74 0.09 0.00 0.00 178.44 179.49 2occ h THR 32 N 0.07 1.33 -0.06 0.22 2.02 -0.59 -1.39 112.91 114.50 2occ h THR 32 Ca -0.00 -1.72 -0.21 0.00 0.77 0.00 0.00 66.41 65.26 2occ h THR 32 Cb 0.95 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2occ h THR 32 CO 0.07 0.52 -0.82 -0.03 0.37 0.00 0.00 175.52 175.64 2occ h MET 33 N 0.29 0.46 -0.03 6.66 4.05 -0.69 -2.63 114.93 123.05 2occ h MET 33 Ca 0.01 -0.42 -0.01 0.00 -0.28 0.00 0.00 59.70 59.01 2occ h MET 33 Cb 0.97 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2occ h MET 33 CO 0.08 1.06 -0.03 2.35 0.23 0.00 0.00 176.91 180.60 2occ h TRP 34 N 0.29 0.09 -0.58 1.39 7.01 -0.79 -2.21 115.95 121.15 2occ h TRP 34 Ca -0.05 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.94 2occ h TRP 34 Cb 1.42 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.43 2occ h TRP 34 CO 0.06 0.56 0.38 0.74 -2.79 0.00 0.00 178.44 177.39 2occ h PHE 35 N -0.41 0.70 0.00 2.65 0.04 -1.28 -3.12 116.94 115.52 2occ h PHE 35 Ca 0.00 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 2occ h PHE 35 Cb 0.54 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2occ h PHE 35 CO 0.10 0.43 -1.30 0.72 -0.60 0.00 0.00 178.31 177.66 2occ n HIS 36 N -4.46 0.00 -0.48 -0.55 8.25 -0.99 -4.73 115.22 112.26 2occ n HIS 36 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 2occ n HIS 36 Cb 0.08 -0.37 0.21 0.00 1.12 0.00 0.00 29.99 31.02 2occ n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2occ n PHE 37 N -3.66 1.87 -3.88 4.41 3.72 -0.87 -4.98 117.46 114.07 2occ n PHE 37 Ca -0.19 -1.02 -0.24 0.00 -0.05 0.00 0.00 57.45 55.96 2occ n PHE 37 Cb 0.54 -0.58 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2occ n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2occ n ASN 38 N -0.15 -1.89 -3.85 4.37 4.05 -0.95 -4.89 115.26 111.95 2occ n ASN 38 Ca 0.32 -0.67 -0.12 0.00 0.45 0.00 0.00 54.58 54.56 2occ n ASN 38 Cb 1.15 -0.80 -0.13 0.00 1.23 0.00 0.00 39.78 41.23 2occ n ASN 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2occ s SER 39 N -4.21 -0.05 0.00 1.20 0.15 -1.12 -4.97 113.70 104.70 2occ s SER 39 Ca 0.24 0.10 0.16 0.00 0.70 0.00 0.00 55.95 57.14 2occ s SER 39 Cb -0.13 0.13 0.10 0.00 -1.71 0.00 0.00 66.02 64.42 2occ s SER 39 CO 0.50 -0.04 0.97 0.23 1.20 0.00 0.00 173.24 176.09 2occ n MET 40 N 2.94 1.30 0.04 5.44 2.81 -1.26 -2.36 117.12 126.03 2occ n MET 40 Ca -0.13 -1.33 -0.11 0.00 -1.81 0.00 0.00 57.70 54.32 2occ n MET 40 Cb 0.59 -1.29 -0.04 0.00 -0.71 0.00 0.00 33.22 31.77 2occ n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2occ h THR 41 N 2.86 0.42 -0.52 2.03 2.02 -1.96 -0.23 112.91 117.52 2occ h THR 41 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2occ h THR 41 Cb 0.63 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 2occ h THR 41 CO 0.00 0.00 0.30 0.25 0.37 0.00 0.00 175.52 176.44 2occ h LEU 42 N -0.37 0.48 -1.57 2.58 5.85 -1.88 -0.65 115.31 119.74 2occ h LEU 42 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2occ h LEU 42 Cb 0.47 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2occ h LEU 42 CO -0.25 0.34 0.26 0.25 -0.34 0.00 0.00 178.44 178.70 2occ h LEU 43 N 0.60 0.47 -0.17 2.25 5.85 -1.61 0.14 115.31 122.84 2occ h LEU 43 Ca 0.21 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 2occ h LEU 43 Cb 0.04 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2occ h LEU 43 CO -0.11 0.36 -0.26 0.24 -0.34 0.00 0.00 178.44 178.33 2occ h MET 44 N 0.56 0.48 0.31 1.25 2.86 0.24 -1.24 114.93 119.39 2occ h MET 44 Ca 0.15 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2occ h MET 44 Cb -0.04 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2occ h MET 44 CO -0.03 0.88 -0.25 0.82 1.06 0.00 0.00 176.91 179.39 2occ h ILE 45 N 0.12 0.46 -0.55 -1.22 1.08 -0.67 -2.36 117.51 114.38 2occ h ILE 45 Ca 0.02 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.59 2occ h ILE 45 Cb 0.84 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 34.97 2occ h ILE 45 CO 0.06 0.00 0.04 1.23 -0.69 0.00 0.00 178.15 178.79 2occ h GLY 46 N -0.58 0.61 1.51 5.37 0.00 -0.95 -1.24 103.07 107.80 2occ h GLY 46 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2occ h GLY 46 CO -0.02 -0.14 0.17 1.41 0.00 0.00 0.00 176.54 177.97 2occ h LEU 47 N 0.16 0.57 -0.08 3.11 3.38 -1.12 -1.95 115.31 119.37 2occ h LEU 47 Ca 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2occ h LEU 47 Cb 0.42 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2occ h LEU 47 CO -0.42 0.52 -0.06 0.74 0.09 0.00 0.00 178.44 179.31 2occ h THR 48 N 0.63 1.34 0.00 0.22 2.02 -0.74 -2.57 112.91 113.81 2occ h THR 48 Ca 0.15 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 2occ h THR 48 Cb 0.14 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2occ h THR 48 CO -0.01 0.32 -0.22 0.71 0.37 0.00 0.00 175.52 176.68 2occ h THR 49 N -0.20 0.82 -0.16 3.16 1.35 -1.14 -1.93 112.91 114.81 2occ h THR 49 Ca 0.02 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.94 2occ h THR 49 Cb 0.53 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2occ h THR 49 CO 0.02 0.21 -0.19 -1.13 -0.25 0.00 0.00 175.52 174.18 2occ h ASN 50 N 0.00 0.44 -0.67 5.36 -1.24 -1.28 -1.20 115.58 116.99 2occ h ASN 50 Ca -0.00 -0.50 -0.03 0.00 0.71 0.00 0.00 56.30 56.47 2occ h ASN 50 Cb 0.50 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 2occ h ASN 50 CO 0.03 0.86 0.29 0.24 -1.29 0.00 0.00 177.43 177.56 2occ h MET 51 N 0.04 0.99 -0.66 6.67 2.86 -1.12 -1.28 114.93 122.42 2occ h MET 51 Ca 0.02 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2occ h MET 51 Cb 0.75 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2occ h MET 51 CO 0.05 0.81 0.33 -0.07 1.06 0.00 0.00 176.91 179.09 2occ h LEU 52 N 0.94 0.84 -0.37 1.22 3.38 -1.31 -0.07 115.31 119.94 2occ h LEU 52 Ca 0.23 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2occ h LEU 52 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2occ h LEU 52 CO -0.02 0.72 0.03 0.74 0.09 0.00 0.00 178.44 180.00 2occ h THR 53 N 0.90 1.25 -0.54 0.22 2.02 -0.97 -2.23 112.91 113.57 2occ h THR 53 Ca 0.23 -0.91 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 2occ h THR 53 Cb 0.09 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2occ h THR 53 CO -0.03 0.31 -0.05 0.24 0.37 0.00 0.00 175.52 176.35 2occ h MET 54 N 0.46 0.99 0.42 6.66 2.86 -1.01 -0.01 114.93 125.29 2occ h MET 54 Ca 0.11 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 2occ h MET 54 Cb 0.41 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2occ h MET 54 CO 0.01 1.02 -0.22 -0.92 1.06 0.00 0.00 176.91 177.86 2occ h TYR 55 N 0.86 -0.57 -0.53 -0.22 3.20 -0.98 -1.73 116.97 117.01 2occ h TYR 55 Ca 0.15 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2occ h TYR 55 Cb 0.60 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2occ h TYR 55 CO 0.04 -0.35 -0.01 1.96 -1.64 0.00 0.00 178.16 178.17 2occ h GLN 56 N -0.59 0.91 -0.08 1.82 4.20 -1.32 0.82 115.11 120.87 2occ h GLN 56 Ca -0.05 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2occ h GLN 56 Cb 0.46 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2occ h GLN 56 CO 0.08 0.91 0.02 2.35 -0.67 0.00 0.00 178.83 181.52 2occ h TRP 57 N 0.84 0.13 0.00 2.96 2.91 -0.99 -0.11 115.95 121.70 2occ h TRP 57 Ca 0.16 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.09 2occ h TRP 57 Cb 0.51 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 2occ h TRP 57 CO 0.03 0.30 -0.32 -1.49 -1.03 0.00 0.00 178.44 175.93 2occ h TRP 58 N -0.07 0.00 0.02 2.65 6.55 -1.18 -1.73 115.95 122.19 2occ h TRP 58 Ca 0.03 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 2occ h TRP 58 Cb 0.23 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 2occ h TRP 58 CO 0.00 0.32 -0.01 -0.09 -1.05 0.00 0.00 178.44 177.61 2occ h ARG 59 N 0.00 -0.03 -0.79 0.49 2.43 -0.44 -2.33 114.38 113.72 2occ h ARG 59 Ca -0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2occ h ARG 59 Cb 0.89 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 2occ h ARG 59 CO 0.04 0.21 0.45 -0.44 -1.51 0.00 0.00 179.97 178.72 2occ h ASP 60 N -0.26 0.66 -0.38 -3.80 5.19 -0.76 -0.17 116.42 116.90 2occ h ASP 60 Ca -0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2occ h ASP 60 Cb 0.25 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 2occ h ASP 60 CO 0.01 0.40 0.24 0.58 -3.12 0.00 0.00 179.24 177.35 2occ h VAL 61 N 0.79 1.11 -0.30 -1.35 2.07 -1.10 -0.40 116.25 117.07 2occ h VAL 61 Ca 0.37 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.49 2occ h VAL 61 Cb 0.28 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2occ h VAL 61 CO -0.22 0.11 -0.51 0.40 0.02 0.00 0.00 177.57 177.37 2occ h ILE 62 N 0.53 1.28 -0.41 4.57 2.04 -0.53 -2.61 117.51 122.37 2occ h ILE 62 Ca 0.14 -1.69 0.02 0.00 1.00 0.00 0.00 64.86 64.33 2occ h ILE 62 Cb -0.04 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2occ h ILE 62 CO -0.03 0.55 0.23 0.03 0.00 0.00 0.00 178.15 178.93 2occ h ARG 63 N 0.65 0.45 0.00 2.37 3.08 -0.30 0.05 114.38 120.68 2occ h ARG 63 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2occ h ARG 63 Cb 1.12 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 2occ h ARG 63 CO 0.12 0.30 -0.15 0.93 -1.07 0.00 0.00 179.97 180.09 2occ h GLU 64 N 0.46 0.00 0.00 0.04 5.08 -1.05 0.20 114.58 119.31 2occ h GLU 64 Ca 0.17 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 2occ h GLU 64 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2occ h GLU 64 CO -0.09 0.15 -1.32 -1.13 -1.00 0.00 0.00 179.01 175.63 2occ n SER 65 N -3.44 1.71 -0.06 1.42 3.41 -0.84 -0.74 113.62 115.08 2occ n SER 65 Ca -0.01 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.76 2occ n SER 65 Cb 0.33 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 2occ n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2occ h THR 66 N -0.81 1.35 0.13 6.66 2.02 -1.17 -2.60 112.91 118.49 2occ h THR 66 Ca -0.20 -1.40 -0.35 0.00 0.77 0.00 0.00 66.41 65.23 2occ h THR 66 Cb 1.05 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 2occ h THR 66 CO -0.12 0.42 -1.85 -0.26 0.37 0.00 0.00 175.52 174.07 2occ h PHE 67 N 0.05 0.51 -0.01 3.16 0.04 -1.52 -3.39 116.94 115.79 2occ h PHE 67 Ca 0.02 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.42 2occ h PHE 67 Cb 0.76 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2occ h PHE 67 CO 0.09 1.73 -0.59 1.04 -0.60 0.00 0.00 178.31 179.98 2occ n GLN 68 N -3.60 0.69 -1.80 1.51 6.02 0.69 -4.99 117.38 115.90 2occ n GLN 68 Ca -0.30 -0.53 -0.16 0.00 -0.01 0.00 0.00 57.00 56.00 2occ n GLN 68 Cb 1.02 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.75 2occ n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2occ n GLY 69 N 1.44 0.83 0.04 1.08 0.00 -0.98 -4.91 105.19 102.68 2occ n GLY 69 Ca 0.08 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2occ n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2occ n HIS 70 N -3.14 0.32 -2.54 1.61 8.25 0.08 -4.45 115.22 115.33 2occ n HIS 70 Ca -0.17 0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 56.97 2occ n HIS 70 Cb 0.57 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2occ n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2occ n HIS 71 N -1.77 4.26 -1.29 4.41 8.25 -1.26 -4.72 115.22 123.11 2occ n HIS 71 Ca 0.05 -3.04 -0.29 0.00 -0.26 0.00 0.00 57.72 54.18 2occ n HIS 71 Cb 0.29 -2.31 0.17 0.00 1.12 0.00 0.00 29.99 29.25 2occ n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2occ s THR 72 N 2.27 2.00 0.47 1.59 -4.23 -1.26 -4.70 115.64 111.77 2occ s THR 72 Ca 0.46 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.10 2occ s THR 72 Cb 0.04 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.60 2occ s THR 72 CO 0.01 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 175.51 2occ h PRO 73 N -1.80 0.27 -0.61 3.99 0.11 -1.92 -0.94 132.00 131.10 2occ h PRO 73 Ca -0.54 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 2occ h PRO 73 Cb 1.33 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2occ h PRO 73 CO 0.59 0.18 0.03 0.00 -0.21 0.00 0.00 178.00 178.58 2occ h ALA 74 N 1.82 0.90 -0.34 -0.75 0.00 -1.91 -2.37 119.26 116.60 2occ h ALA 74 Ca 0.14 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2occ h ALA 74 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2occ h ALA 74 CO -0.03 0.66 -0.43 0.28 0.00 0.00 0.00 179.25 179.73 2occ h VAL 75 N 0.96 1.28 -0.65 0.00 2.07 -1.45 -3.00 116.25 115.47 2occ h VAL 75 Ca 0.18 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 2occ h VAL 75 Cb 0.52 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2occ h VAL 75 CO 0.02 0.53 0.15 1.56 0.02 0.00 0.00 177.57 179.85 2occ h GLN 76 N 0.68 1.03 -0.69 1.57 4.20 -1.20 -2.51 115.11 118.18 2occ h GLN 76 Ca 0.05 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.54 2occ h GLN 76 Cb 1.01 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 2occ h GLN 76 CO 0.10 0.92 0.44 -0.22 -0.67 0.00 0.00 178.83 179.40 2occ h LYS 77 N 0.98 0.86 -0.84 1.46 3.64 -1.37 -1.96 116.57 119.34 2occ h LYS 77 Ca 0.21 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2occ h LYS 77 Cb 0.36 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2occ h LYS 77 CO 0.00 0.57 0.44 0.78 -2.27 0.00 0.00 179.45 178.98 2occ h GLY 78 N 0.89 1.26 1.73 5.01 0.00 -1.34 -2.03 103.07 108.58 2occ h GLY 78 Ca 0.27 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2occ h GLY 78 CO -0.08 0.56 -0.05 1.41 0.00 0.00 0.00 176.54 178.37 2occ h LEU 79 N 1.17 0.32 -0.17 3.11 3.38 -1.03 -0.30 115.31 121.79 2occ h LEU 79 Ca 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2occ h LEU 79 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2occ h LEU 79 CO -0.04 0.42 0.02 0.03 0.09 0.00 0.00 178.44 178.96 2occ h ARG 80 N 0.33 0.28 -0.26 1.13 3.08 -0.65 -1.49 114.38 116.81 2occ h ARG 80 Ca 0.07 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2occ h ARG 80 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2occ h ARG 80 CO 0.01 0.46 0.15 1.88 -1.07 0.00 0.00 179.97 181.41 2occ h TYR 81 N 0.07 0.29 -0.76 3.04 0.05 -1.10 -1.11 116.97 117.45 2occ h TYR 81 Ca 0.05 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.91 2occ h TYR 81 Cb 0.32 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.90 2occ h TYR 81 CO 0.02 0.17 0.44 0.78 -1.05 0.00 0.00 178.16 178.52 2occ h GLY 82 N 0.32 1.15 1.01 3.88 0.00 -0.90 0.11 103.07 108.63 2occ h GLY 82 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2occ h GLY 82 CO -0.04 0.16 -0.25 1.98 0.00 0.00 0.00 176.54 178.39 2occ h MET 83 N 0.77 0.78 -0.31 4.80 1.85 -0.93 -1.27 114.93 120.62 2occ h MET 83 Ca 0.35 -0.38 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2occ h MET 83 Cb 0.26 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 2occ h MET 83 CO -0.21 1.00 0.19 0.82 -0.40 0.00 0.00 176.91 178.31 2occ h ILE 84 N 0.56 1.11 -0.47 1.77 2.04 -0.69 -1.75 117.51 120.08 2occ h ILE 84 Ca 0.07 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2occ h ILE 84 Cb 0.82 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2occ h ILE 84 CO 0.07 0.11 0.18 -0.07 0.00 0.00 0.00 178.15 178.43 2occ h LEU 85 N 0.40 0.62 -0.50 1.44 4.07 -0.92 -2.39 115.31 118.02 2occ h LEU 85 Ca 0.11 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 2occ h LEU 85 Cb 0.01 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2occ h LEU 85 CO -0.02 0.57 0.11 0.15 -1.08 0.00 0.00 178.44 178.17 2occ h PHE 86 N 0.68 0.86 -0.76 1.13 3.57 -0.52 -2.78 116.94 119.12 2occ h PHE 86 Ca 0.16 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2occ h PHE 86 Cb 0.16 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2occ h PHE 86 CO 0.01 0.77 0.32 0.82 -2.23 0.00 0.00 178.31 178.00 2occ h ILE 87 N 0.70 1.25 -0.33 1.41 2.04 -0.86 -2.58 117.51 119.14 2occ h ILE 87 Ca 0.16 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.28 2occ h ILE 87 Cb 0.36 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2occ h ILE 87 CO 0.00 0.31 0.15 0.40 0.00 0.00 0.00 178.15 179.02 2occ h ILE 88 N 1.10 0.96 -0.24 -0.67 2.04 -1.34 0.91 117.51 120.27 2occ h ILE 88 Ca 0.26 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2occ h ILE 88 Cb 0.18 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2occ h ILE 88 CO -0.02 0.06 -0.06 0.77 0.00 0.00 0.00 178.15 178.89 2occ h SER 89 N 0.31 0.34 -0.08 1.72 4.64 -1.26 -1.11 113.55 118.12 2occ h SER 89 Ca 0.14 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 2occ h SER 89 Cb 0.08 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2occ h SER 89 CO -0.12 0.45 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.68 2occ h GLU 90 N 0.35 0.55 -0.60 4.77 4.39 -0.72 -1.56 114.58 121.75 2occ h GLU 90 Ca 0.08 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2occ h GLU 90 Cb 0.34 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2occ h GLU 90 CO 0.02 0.78 0.14 0.28 -1.16 0.00 0.00 179.01 179.07 2occ h VAL 91 N 0.47 1.25 -0.04 3.13 2.07 0.30 -1.77 116.25 121.66 2occ h VAL 91 Ca 0.06 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2occ h VAL 91 Cb 0.75 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2occ h VAL 91 CO 0.06 0.34 -0.43 -0.07 0.02 0.00 0.00 177.57 177.49 2occ h LEU 92 N 0.87 0.10 0.14 2.57 4.07 -1.01 -1.32 115.31 120.73 2occ h LEU 92 Ca 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2occ h LEU 92 Cb 0.36 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2occ h LEU 92 CO 0.00 0.52 -0.07 0.15 -1.08 0.00 0.00 178.44 177.97 2occ h PHE 93 N 0.08 -0.18 0.00 1.13 3.57 -0.86 -1.39 116.94 119.29 2occ h PHE 93 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2occ h PHE 93 Cb 0.80 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2occ h PHE 93 CO 0.01 -0.00 -0.07 0.74 -2.23 0.00 0.00 178.31 176.76 2occ h PHE 94 N -0.33 0.00 -0.09 0.41 0.04 -1.15 -1.57 116.94 114.26 2occ h PHE 94 Ca -0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 2occ h PHE 94 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2occ h PHE 94 CO -0.03 0.07 -0.31 1.15 -0.60 0.00 0.00 178.31 178.59 2occ h THR 95 N 0.00 1.25 -0.74 -1.55 2.02 -0.12 -2.28 112.91 111.50 2occ h THR 95 Ca -0.00 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 2occ h THR 95 Cb 0.20 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2occ h THR 95 CO 0.01 0.36 0.27 1.23 0.37 0.00 0.00 175.52 177.76 2occ h GLY 96 N 1.03 1.20 1.69 2.16 0.00 -0.92 -1.86 103.07 106.36 2occ h GLY 96 Ca 0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.53 2occ h GLY 96 CO 0.05 0.62 -0.62 0.74 0.00 0.00 0.00 176.54 177.33 2occ h PHE 97 N 1.08 0.41 -0.06 5.60 0.04 -1.53 -2.20 116.94 120.29 2occ h PHE 97 Ca 0.25 -0.16 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 2occ h PHE 97 Cb 0.24 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2occ h PHE 97 CO 0.02 0.85 -0.68 0.74 -0.60 0.00 0.00 178.31 178.64 2occ h PHE 98 N 0.23 0.34 0.25 -0.55 0.04 -1.32 -2.23 116.94 113.70 2occ h PHE 98 Ca -0.01 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2occ h PHE 98 Cb 1.15 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2occ h PHE 98 CO 0.03 0.85 -0.12 2.35 -0.60 0.00 0.00 178.31 180.82 2occ h TRP 99 N 0.18 -0.31 -0.58 -0.55 2.91 -1.22 -0.39 115.95 115.99 2occ h TRP 99 Ca -0.02 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.08 2occ h TRP 99 Cb 1.22 0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.90 2occ h TRP 99 CO 0.03 -0.13 0.22 0.00 -1.03 0.00 0.00 178.44 177.52 2occ h ALA 100 N 0.32 0.73 0.04 2.65 0.00 -1.32 0.18 119.26 121.87 2occ h ALA 100 Ca -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2occ h ALA 100 Cb 0.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2occ h ALA 100 CO 0.06 -0.19 -0.02 0.35 0.00 0.00 0.00 179.25 179.45 2occ h PHE 101 N 0.40 -0.05 -0.14 0.00 3.57 -1.18 -1.32 116.94 118.22 2occ h PHE 101 Ca 0.28 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 2occ h PHE 101 Cb 0.33 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2occ h PHE 101 CO -0.16 0.01 -0.16 1.88 -2.23 0.00 0.00 178.31 177.64 2occ h TYR 102 N -0.10 0.25 -0.43 0.41 0.05 -0.60 -0.45 116.97 116.10 2occ h TYR 102 Ca -0.01 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.62 2occ h TYR 102 Cb 0.09 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2occ h TYR 102 CO -0.06 0.40 -0.22 1.25 -1.05 0.00 0.00 178.16 178.47 2occ h HIS 103 N 0.22 1.05 -0.04 4.88 2.76 -0.13 -2.58 115.15 121.32 2occ h HIS 103 Ca 0.04 -0.27 -0.18 0.00 -2.20 0.00 0.00 60.37 57.76 2occ h HIS 103 Cb 0.43 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.16 2occ h HIS 103 CO 0.01 1.06 -0.70 0.77 -1.30 0.00 0.00 177.93 177.77 2occ h SER 104 N 0.74 0.68 1.25 3.26 0.02 -0.92 -3.28 113.55 115.29 2occ h SER 104 Ca 0.09 -0.72 -0.07 0.00 -0.84 0.00 0.00 61.79 60.25 2occ h SER 104 Cb 0.79 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2occ h SER 104 CO 0.07 1.30 -0.35 0.77 -1.14 0.00 0.00 176.83 177.47 2occ h SER 105 N 0.12 0.00 0.91 3.07 4.64 -1.16 -3.13 113.55 118.00 2occ h SER 105 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2occ h SER 105 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2occ h SER 105 CO 0.14 0.35 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.69 2occ h LEU 106 N 0.00 0.00 -5.87 5.97 3.38 -1.60 -3.39 115.31 113.80 2occ h LEU 106 Ca -0.00 -0.17 -0.51 0.00 0.09 0.00 0.00 57.88 57.28 2occ h LEU 106 Cb 1.07 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.42 2occ h LEU 106 CO 0.05 0.09 -1.07 0.00 0.09 0.00 0.00 178.44 177.60 2occ n ALA 107 N -1.90 2.62 -1.69 1.53 0.00 -1.23 -5.10 120.51 114.74 2occ n ALA 107 Ca 0.03 -3.69 -0.44 0.00 0.00 0.00 0.00 53.44 49.33 2occ n ALA 107 Cb 0.46 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 2occ n ALA 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2occ n PRO 108 N 0.31 2.49 -1.57 0.00 -0.04 -1.18 -4.86 135.00 130.15 2occ n PRO 108 Ca 0.26 0.90 -0.30 0.00 -0.04 0.00 0.00 63.50 64.32 2occ n PRO 108 Cb 0.59 -2.75 0.09 0.00 -0.04 0.00 0.00 33.50 31.39 2occ n PRO 108 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2occ s THR 109 N 2.17 3.06 0.29 0.52 -4.23 -1.26 -4.48 115.64 111.71 2occ s THR 109 Ca 0.82 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 2occ s THR 109 Cb -0.58 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.44 2occ s THR 109 CO 0.39 -0.45 1.88 -0.65 -0.54 0.00 0.00 174.62 175.25 2occ h PRO 110 N -1.08 1.02 0.00 3.99 0.11 -1.93 -2.20 132.00 131.92 2occ h PRO 110 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2occ h PRO 110 Cb 1.27 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2occ h PRO 110 CO 0.60 0.67 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 2occ n GLU 111 N -4.52 0.14 -0.00 1.05 4.71 -1.26 -0.87 120.64 119.88 2occ n GLU 111 Ca 0.16 0.13 0.07 0.00 -0.01 0.00 0.00 57.16 57.51 2occ n GLU 111 Cb 0.25 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.08 2occ n GLU 111 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2occ n LEU 112 N -1.17 0.29 0.00 -4.62 4.32 -0.88 -4.96 117.00 109.98 2occ n LEU 112 Ca 0.04 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2occ n LEU 112 Cb 0.04 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 2occ n LEU 112 CO 0.05 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 2occ n GLY 113 N 1.53 1.04 2.30 -0.72 0.00 -0.05 -2.05 105.19 107.24 2occ n GLY 113 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2occ n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2occ n GLY 114 N -1.02 -0.18 3.30 -0.02 0.00 -0.90 -4.97 105.19 101.40 2occ n GLY 114 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2occ n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2occ s TRP 116 N -3.89 1.30 0.64 0.00 -0.11 -1.26 -3.49 118.94 112.13 2occ s TRP 116 Ca 0.09 -0.45 -0.15 0.00 1.22 0.00 0.00 56.10 56.81 2occ s TRP 116 Cb 0.03 -0.97 -0.01 0.00 -1.50 0.00 0.00 33.47 31.02 2occ s TRP 116 CO -0.07 -0.24 1.08 -1.25 -4.62 0.00 0.00 176.95 171.85 2occ s PRO 117 N 0.65 3.02 0.56 5.86 0.04 -1.26 -4.94 135.00 138.93 2occ s PRO 117 Ca -0.13 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 61.99 2occ s PRO 117 Cb -0.15 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 2occ s PRO 117 CO 0.03 -1.06 0.60 -2.30 0.04 0.00 0.00 177.00 174.31 2occ n PRO 118 N -2.34 0.59 -2.04 0.56 -0.02 -1.23 -4.88 135.00 125.65 2occ n PRO 118 Ca 0.09 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 2occ n PRO 118 Cb 0.52 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 2occ n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2occ s THR 119 N -1.66 2.56 0.00 3.45 -4.23 -0.87 -2.52 115.64 112.37 2occ s THR 119 Ca 0.69 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.74 2occ s THR 119 Cb -0.46 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2occ s THR 119 CO 0.54 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 2occ n GLY 120 N 0.69 0.22 3.60 3.99 0.00 -1.26 -5.00 105.19 107.44 2occ n GLY 120 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2occ n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2occ s ILE 121 N -2.07 4.81 -0.47 -0.61 -1.09 -1.05 -5.06 121.20 115.66 2occ s ILE 121 Ca 0.00 -0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 2occ s ILE 121 Cb 0.00 -3.20 0.13 0.00 -1.58 0.00 0.00 42.46 37.80 2occ s ILE 121 CO 0.00 0.41 0.28 -1.00 -1.23 0.00 0.00 174.94 173.40 2occ s HIS 122 N 0.76 3.53 0.69 3.97 3.76 -1.26 -4.88 115.29 121.85 2occ s HIS 122 Ca 0.04 -2.48 -0.15 0.00 -0.15 0.00 0.00 55.06 52.32 2occ s HIS 122 Cb -0.13 -3.23 0.02 0.00 1.11 0.00 0.00 32.58 30.34 2occ s HIS 122 CO 0.02 -0.94 1.16 -1.25 -0.85 0.00 0.00 174.74 172.89 2occ s PRO 123 N 0.80 2.50 0.73 8.40 0.04 -1.26 -4.77 135.00 141.44 2occ s PRO 123 Ca 0.11 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 2occ s PRO 123 Cb -0.22 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2occ s PRO 123 CO -0.04 -1.52 1.13 -0.51 0.04 0.00 0.00 177.00 176.10 2occ s LEU 124 N -4.93 3.22 -0.24 -3.56 1.43 -1.26 -4.98 118.68 108.36 2occ s LEU 124 Ca 0.71 2.04 -0.24 0.00 -1.03 0.00 0.00 54.13 55.62 2occ s LEU 124 Cb -0.25 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.41 2occ s LEU 124 CO 0.42 -2.02 0.79 0.21 0.23 0.00 0.00 176.35 175.98 2occ s ASN 125 N -2.70 6.79 0.32 2.29 3.84 -1.26 -4.92 114.94 119.29 2occ s ASN 125 Ca 0.67 0.98 0.22 0.00 0.21 0.00 0.00 52.86 54.94 2occ s ASN 125 Cb -0.22 -2.42 1.17 0.00 -0.55 0.00 0.00 41.25 39.24 2occ s ASN 125 CO 0.48 -0.49 1.68 -0.81 -2.79 0.00 0.00 177.10 175.17 2occ n PRO 126 N 5.94 0.15 0.00 0.43 -0.04 -1.26 -1.91 135.00 138.30 2occ n PRO 126 Ca 0.04 0.62 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 2occ n PRO 126 Cb 0.48 -1.96 0.53 0.00 -0.04 0.00 0.00 33.50 32.51 2occ n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2occ n LEU 127 N -2.27 1.36 0.00 1.53 4.77 -1.26 -2.83 117.00 118.30 2occ n LEU 127 Ca -0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2occ n LEU 127 Cb 0.06 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2occ n LEU 127 CO 0.11 0.23 0.00 -0.62 -1.33 0.00 0.00 177.39 175.78 2occ n GLU 128 N 0.01 0.00 -0.32 3.23 1.02 -0.80 -4.66 120.64 119.11 2occ n GLU 128 Ca 0.18 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.40 2occ n GLU 128 Cb 0.34 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.00 2occ n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2occ h VAL 129 N 0.00 0.76 -0.11 2.62 2.07 -1.88 -0.01 116.25 119.71 2occ h VAL 129 Ca 0.00 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2occ h VAL 129 Cb 0.00 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2occ h VAL 129 CO 0.00 0.13 0.09 -0.65 0.02 0.00 0.00 177.57 177.16 2occ h PRO 130 N 0.72 0.00 -0.14 1.57 0.11 -1.78 0.17 132.00 132.65 2occ h PRO 130 Ca 0.49 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.39 2occ h PRO 130 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2occ h PRO 130 CO -0.34 0.00 -0.74 1.25 -0.21 0.00 0.00 178.00 177.96 2occ h LEU 131 N 0.00 0.81 0.61 2.35 6.46 -0.84 -2.30 115.31 122.39 2occ h LEU 131 Ca 0.05 -0.52 -0.03 0.00 -0.12 0.00 0.00 57.88 57.26 2occ h LEU 131 Cb 0.23 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 2occ h LEU 131 CO -0.00 1.30 -0.29 0.25 -0.62 0.00 0.00 178.44 179.07 2occ h LEU 132 N 0.47 -0.69 -1.41 2.25 6.46 -0.50 -0.97 115.31 120.92 2occ h LEU 132 Ca -0.04 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 57.94 2occ h LEU 132 Cb 1.35 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 41.38 2occ h LEU 132 CO 0.15 -0.46 0.63 0.78 -0.62 0.00 0.00 178.44 178.91 2occ h ASN 133 N -0.88 0.47 -0.37 1.25 2.35 -0.82 0.14 115.58 117.72 2occ h ASN 133 Ca -0.08 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 2occ h ASN 133 Cb 0.65 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2occ h ASN 133 CO 0.14 0.16 -0.10 0.74 -1.65 0.00 0.00 177.43 176.71 2occ h THR 134 N 0.45 1.28 -0.03 2.81 2.02 -0.81 -2.28 112.91 116.34 2occ h THR 134 Ca 0.52 -1.19 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 2occ h THR 134 Cb 1.24 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2occ h THR 134 CO -0.23 0.39 -0.64 0.77 0.37 0.00 0.00 175.52 176.18 2occ h SER 135 N 0.52 0.14 -0.35 4.18 4.64 0.48 -2.27 113.55 120.90 2occ h SER 135 Ca 0.09 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 2occ h SER 135 Cb 0.62 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2occ h SER 135 CO 0.04 0.74 -0.02 0.58 -0.87 0.00 0.00 176.83 177.30 2occ h VAL 136 N 0.08 1.26 -0.33 0.95 2.07 -0.75 -1.48 116.25 118.06 2occ h VAL 136 Ca -0.01 -1.01 -0.16 0.00 0.82 0.00 0.00 66.70 66.34 2occ h VAL 136 Cb 1.14 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2occ h VAL 136 CO 0.09 0.33 -0.42 -0.07 0.02 0.00 0.00 177.57 177.53 2occ h LEU 137 N 0.43 0.94 -0.86 2.57 4.07 -1.40 -2.50 115.31 118.55 2occ h LEU 137 Ca 0.10 -0.49 -0.11 0.00 0.08 0.00 0.00 57.88 57.46 2occ h LEU 137 Cb 0.48 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2occ h LEU 137 CO 0.02 1.25 -0.34 -0.07 -1.08 0.00 0.00 178.44 178.22 2occ h LEU 138 N 0.66 0.45 -0.91 1.67 3.38 -1.40 -2.67 115.31 116.49 2occ h LEU 138 Ca 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2occ h LEU 138 Cb 1.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2occ h LEU 138 CO 0.10 0.76 0.27 0.00 0.09 0.00 0.00 178.44 179.67 2occ h ALA 139 N 1.27 1.13 0.00 1.53 0.00 -1.17 -1.80 119.26 120.22 2occ h ALA 139 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2occ h ALA 139 Cb 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2occ h ALA 139 CO 0.06 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.59 2occ h SER 140 N 1.05 0.00 1.16 0.00 4.64 -1.12 -1.55 113.55 117.73 2occ h SER 140 Ca 0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 2occ h SER 140 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2occ h SER 140 CO -0.02 0.00 -0.79 1.23 -0.87 0.00 0.00 176.83 176.38 2occ h GLY 141 N 2.64 0.00 0.35 -0.77 0.00 -1.02 -2.44 103.07 101.84 2occ h GLY 141 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2occ h GLY 141 CO 0.00 0.00 -0.14 -2.08 0.00 0.00 0.00 176.54 174.32 2occ h VAL 142 N 0.00 1.58 -0.28 4.60 2.07 -1.22 -3.09 116.25 119.92 2occ h VAL 142 Ca -0.01 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.56 2occ h VAL 142 Cb 1.59 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 34.15 2occ h VAL 142 CO 0.10 0.51 -0.05 0.77 0.02 0.00 0.00 177.57 178.93 2occ h SER 143 N -0.62 0.41 0.52 0.57 4.64 -1.37 -1.55 113.55 116.14 2occ h SER 143 Ca -0.02 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 2occ h SER 143 Cb 0.91 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2occ h SER 143 CO 0.03 0.51 -0.43 -0.29 -0.87 0.00 0.00 176.83 175.77 2occ h ILE 144 N 0.41 1.22 -0.05 0.95 2.10 -1.53 -1.62 117.51 119.00 2occ h ILE 144 Ca 0.09 -1.53 -0.17 0.00 1.08 0.00 0.00 64.86 64.33 2occ h ILE 144 Cb 0.35 1.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 2occ h ILE 144 CO 0.01 0.43 -0.70 0.74 -1.08 0.00 0.00 178.15 177.55 2occ h THR 145 N 0.00 1.42 -0.44 2.19 2.02 -1.22 -1.31 112.91 115.56 2occ h THR 145 Ca -0.00 -2.19 -0.07 0.00 0.77 0.00 0.00 66.41 64.92 2occ h THR 145 Cb 0.81 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 2occ h THR 145 CO 0.06 0.64 -0.01 -0.25 0.37 0.00 0.00 175.52 176.33 2occ h TRP 146 N 0.17 0.85 -0.52 3.16 7.01 -0.88 -2.34 115.95 123.41 2occ h TRP 146 Ca -0.02 -0.15 0.06 0.00 2.11 0.00 0.00 58.89 60.89 2occ h TRP 146 Cb 1.25 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 28.03 2occ h TRP 146 CO 0.03 0.84 0.22 0.00 -2.79 0.00 0.00 178.44 176.73 2occ h ALA 147 N 0.90 0.66 -0.66 2.65 0.00 -1.10 0.57 119.26 122.28 2occ h ALA 147 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2occ h ALA 147 Cb 0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2occ h ALA 147 CO 0.02 -0.16 0.42 1.25 0.00 0.00 0.00 179.25 180.78 2occ h HIS 148 N 0.42 0.84 -0.29 0.00 -0.00 -1.08 -0.86 115.15 114.18 2occ h HIS 148 Ca 0.25 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.47 2occ h HIS 148 Cb 0.23 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2occ h HIS 148 CO -0.14 0.55 -0.44 0.45 -0.00 0.00 0.00 177.93 178.36 2occ h HIS 149 N 0.89 0.89 -0.48 5.26 -0.00 -0.82 -1.96 115.15 118.93 2occ h HIS 149 Ca 0.24 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2occ h HIS 149 Cb -0.06 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 2occ h HIS 149 CO -0.02 1.04 0.31 0.77 -0.00 0.00 0.00 177.93 180.03 2occ h SER 150 N 0.59 0.56 -0.24 2.45 0.02 -0.65 -1.12 113.55 115.17 2occ h SER 150 Ca 0.04 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2occ h SER 150 Cb 0.99 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2occ h SER 150 CO 0.09 0.42 0.07 0.25 -1.14 0.00 0.00 176.83 176.53 2occ h LEU 151 N 0.65 0.07 -1.75 5.07 5.85 -0.96 -0.54 115.31 123.70 2occ h LEU 151 Ca 0.17 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2occ h LEU 151 Cb -0.05 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2occ h LEU 151 CO -0.04 0.07 -0.14 0.24 -0.34 0.00 0.00 178.44 178.24 2occ h MET 152 N 0.18 0.00 -0.16 1.25 2.86 -1.02 -0.97 114.93 117.07 2occ h MET 152 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2occ h MET 152 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2occ h MET 152 CO -0.12 0.14 0.00 0.39 1.06 0.00 0.00 176.91 178.38 2occ n GLU 153 N -3.55 1.84 -1.01 1.72 1.02 -0.45 -4.91 120.64 115.30 2occ n GLU 153 Ca -0.01 -1.26 -0.00 0.00 -0.02 0.00 0.00 57.16 55.87 2occ n GLU 153 Cb 0.28 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2occ n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2occ n GLY 154 N 1.19 0.47 3.47 0.62 0.00 -0.37 -4.99 105.19 105.58 2occ n GLY 154 Ca 0.17 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2occ n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2occ s ASP 155 N -2.23 6.34 0.10 1.61 -1.08 -0.31 -4.91 116.67 116.19 2occ s ASP 155 Ca 0.00 -1.33 -0.20 0.00 -0.52 0.00 0.00 52.55 50.50 2occ s ASP 155 Cb 0.00 -2.43 -0.09 0.00 -1.46 0.00 0.00 42.92 38.94 2occ s ASP 155 CO 0.00 -1.35 1.71 -0.09 0.52 0.00 0.00 175.17 175.96 2occ h ARG 156 N 9.38 0.23 -0.21 4.34 2.43 -1.94 -1.63 114.38 126.99 2occ h ARG 156 Ca -0.11 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2occ h ARG 156 Cb 1.05 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2occ h ARG 156 CO 1.18 0.22 0.11 -0.22 -1.51 0.00 0.00 179.97 179.76 2occ h LYS 157 N 0.18 0.22 -0.17 0.20 3.64 -1.98 -0.98 116.57 117.68 2occ h LYS 157 Ca 0.06 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 2occ h LYS 157 Cb 0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2occ h LYS 157 CO -0.01 0.15 -0.54 0.45 -2.27 0.00 0.00 179.45 177.22 2occ h HIS 158 N 0.23 0.64 -0.23 1.91 3.86 -1.96 0.11 115.15 119.72 2occ h HIS 158 Ca 0.08 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2occ h HIS 158 Cb 0.01 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 2occ h HIS 158 CO -0.09 0.94 0.10 1.98 0.86 0.00 0.00 177.93 181.73 2occ h MET 159 N 0.39 0.33 -0.69 2.45 1.85 -1.15 0.25 114.93 118.36 2occ h MET 159 Ca 0.01 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 2occ h MET 159 Cb 1.08 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.02 2occ h MET 159 CO 0.10 0.36 0.30 -0.07 -0.40 0.00 0.00 176.91 177.20 2occ h LEU 160 N 0.23 0.91 -0.11 3.39 4.07 -1.01 0.08 115.31 122.86 2occ h LEU 160 Ca 0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2occ h LEU 160 Cb 0.14 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 2occ h LEU 160 CO -0.01 0.80 -0.07 -0.61 -1.08 0.00 0.00 178.44 177.47 2occ h GLN 161 N 0.99 0.25 -0.57 1.13 4.15 0.02 -1.82 115.11 119.26 2occ h GLN 161 Ca 0.24 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 2occ h GLN 161 Cb 0.15 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 2occ h GLN 161 CO -0.03 0.61 0.13 0.00 -1.93 0.00 0.00 178.83 177.62 2occ h ALA 162 N 0.63 1.17 -0.36 3.38 0.00 -0.32 -2.13 119.26 121.63 2occ h ALA 162 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2occ h ALA 162 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2occ h ALA 162 CO 0.02 0.57 -0.18 1.25 0.00 0.00 0.00 179.25 180.90 2occ h LEU 163 N 0.84 0.67 -0.21 0.00 6.46 -0.93 -2.25 115.31 119.89 2occ h LEU 163 Ca 0.18 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2occ h LEU 163 Cb 0.31 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2occ h LEU 163 CO -0.00 0.85 0.05 0.15 -0.62 0.00 0.00 178.44 178.87 2occ h PHE 164 N 0.60 0.34 -0.75 1.25 3.57 -0.77 -1.98 116.94 119.20 2occ h PHE 164 Ca 0.09 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2occ h PHE 164 Cb 0.64 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 2occ h PHE 164 CO 0.03 0.44 0.46 0.82 -2.23 0.00 0.00 178.31 177.83 2occ h ILE 165 N 0.15 1.08 -0.40 1.41 2.04 -1.29 -1.38 117.51 119.11 2occ h ILE 165 Ca 0.06 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2occ h ILE 165 Cb 0.27 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2occ h ILE 165 CO 0.00 0.16 0.20 0.74 0.00 0.00 0.00 178.15 179.26 2occ h THR 166 N 0.89 0.98 -0.35 -0.27 2.02 -1.25 -1.40 112.91 113.53 2occ h THR 166 Ca 0.31 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2occ h THR 166 Cb 0.06 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2occ h THR 166 CO -0.13 0.08 0.06 0.40 0.37 0.00 0.00 175.52 176.30 2occ h ILE 167 N 0.41 1.23 -0.23 3.11 2.04 -0.82 -2.06 117.51 121.20 2occ h ILE 167 Ca 0.17 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 2occ h ILE 167 Cb 0.07 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2occ h ILE 167 CO -0.12 0.27 -0.12 0.71 0.00 0.00 0.00 178.15 178.90 2occ h THR 168 N 0.41 1.21 -0.45 -0.27 1.35 -0.93 0.29 112.91 114.52 2occ h THR 168 Ca 0.11 -0.90 -0.09 0.00 -0.55 0.00 0.00 66.41 64.98 2occ h THR 168 Cb 0.35 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 2occ h THR 168 CO 0.01 0.29 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.41 2occ h LEU 169 N 0.35 0.77 -0.55 3.87 3.38 -1.06 0.36 115.31 122.43 2occ h LEU 169 Ca 0.07 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2occ h LEU 169 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2occ h LEU 169 CO 0.02 0.89 -0.30 1.23 0.09 0.00 0.00 178.44 180.38 2occ h GLY 170 N 0.97 0.92 1.21 0.83 0.00 -0.52 -0.41 103.07 106.07 2occ h GLY 170 Ca 0.13 -0.85 -0.16 0.00 0.00 0.00 0.00 47.33 46.44 2occ h GLY 170 CO 0.03 0.78 -0.41 -2.08 0.00 0.00 0.00 176.54 174.86 2occ h VAL 171 N 0.71 1.28 -0.64 4.60 2.07 -0.63 -2.26 116.25 121.38 2occ h VAL 171 Ca 0.08 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.05 2occ h VAL 171 Cb 0.85 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 2occ h VAL 171 CO 0.07 0.52 0.39 0.22 0.02 0.00 0.00 177.57 178.80 2occ h TYR 172 N 0.70 0.73 -0.80 1.57 3.20 0.12 -0.84 116.97 121.64 2occ h TYR 172 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2occ h TYR 172 Cb 0.98 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 2occ h TYR 172 CO 0.06 0.41 0.39 0.35 -1.64 0.00 0.00 178.16 177.73 2occ h PHE 173 N 0.77 1.15 -0.79 -3.82 3.04 -0.92 -0.99 116.94 115.39 2occ h PHE 173 Ca 0.26 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 2occ h PHE 173 Cb 0.03 -0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.14 2occ h PHE 173 CO -0.05 0.84 0.35 1.15 -2.02 0.00 0.00 178.31 178.58 2occ h THR 174 N 1.14 1.25 -0.16 4.41 2.02 -0.69 0.23 112.91 121.11 2occ h THR 174 Ca 0.28 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2occ h THR 174 Cb 0.12 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2occ h THR 174 CO -0.03 0.31 -0.16 -0.07 0.37 0.00 0.00 175.52 175.93 2occ h LEU 175 N 1.12 0.42 -0.87 2.58 3.38 -0.86 -1.34 115.31 119.74 2occ h LEU 175 Ca 0.27 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.81 2occ h LEU 175 Cb 0.16 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2occ h LEU 175 CO -0.03 0.82 0.55 -0.07 0.09 0.00 0.00 178.44 179.79 2occ h LEU 176 N 0.02 0.86 -0.86 1.67 3.38 -1.01 -1.06 115.31 118.32 2occ h LEU 176 Ca 0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2occ h LEU 176 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2occ h LEU 176 CO 0.04 0.56 -0.37 -0.61 0.09 0.00 0.00 178.44 178.15 2occ h GLN 177 N 1.00 0.39 -0.61 1.13 5.75 -0.84 -2.00 115.11 119.93 2occ h GLN 177 Ca 0.38 -0.18 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2occ h GLN 177 Cb 0.15 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 2occ h GLN 177 CO -0.17 0.71 0.00 0.00 -2.65 0.00 0.00 178.83 176.73 2occ h ALA 178 N 1.28 0.85 0.04 3.38 0.00 -0.10 -2.00 119.26 122.72 2occ h ALA 178 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2occ h ALA 178 Cb 0.81 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2occ h ALA 178 CO 0.06 0.67 -0.03 1.03 0.00 0.00 0.00 179.25 180.98 2occ h SER 179 N 0.98 -0.09 -0.83 0.00 0.87 -0.90 -2.54 113.55 111.04 2occ h SER 179 Ca 0.17 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2occ h SER 179 Cb 0.56 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 2occ h SER 179 CO 0.03 -0.06 0.50 -0.33 -0.53 0.00 0.00 176.83 176.44 2occ h GLU 180 N -0.08 0.84 -0.69 2.24 4.39 -1.24 -0.36 114.58 119.66 2occ h GLU 180 Ca 0.00 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2occ h GLU 180 Cb 0.08 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 2occ h GLU 180 CO -0.01 0.55 0.41 1.88 -1.16 0.00 0.00 179.01 180.69 2occ h TYR 181 N 0.86 0.77 -0.30 4.33 -1.99 -1.05 -1.00 116.97 118.59 2occ h TYR 181 Ca 0.39 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.96 2occ h TYR 181 Cb 0.28 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.76 2occ h TYR 181 CO -0.05 0.41 -0.51 -0.92 -0.00 0.00 0.00 178.16 177.09 2occ h TYR 182 N 0.79 1.07 0.00 4.88 3.20 -0.91 -3.22 116.97 122.78 2occ h TYR 182 Ca 0.30 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2occ h TYR 182 Cb 0.11 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2occ h TYR 182 CO -0.06 1.19 0.00 0.93 -1.64 0.00 0.00 178.16 178.58 2occ h GLU 183 N 0.67 0.00 -6.62 1.82 4.39 -0.79 -3.46 114.58 110.59 2occ h GLU 183 Ca 0.02 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.20 2occ h GLU 183 Cb 1.11 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.81 2occ h GLU 183 CO 0.11 0.00 0.97 0.00 -1.16 0.00 0.00 179.01 178.93 2occ s ALA 184 N -3.29 3.86 -0.92 3.43 0.00 -0.41 -4.90 121.76 119.53 2occ s ALA 184 Ca 0.06 1.48 0.21 0.00 0.00 0.00 0.00 51.96 53.72 2occ s ALA 184 Cb 0.09 -3.67 0.87 0.00 0.00 0.00 0.00 23.12 20.40 2occ s ALA 184 CO 0.57 -0.89 1.66 -0.35 0.00 0.00 0.00 175.76 176.75 2occ n PRO 185 N 4.15 0.04 -4.38 0.00 -0.04 -1.26 -4.77 135.00 128.74 2occ n PRO 185 Ca 0.15 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.56 2occ n PRO 185 Cb 0.37 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 2occ n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2occ s PHE 186 N -3.04 2.49 0.43 0.54 -0.12 -1.26 -4.95 117.98 112.07 2occ s PHE 186 Ca 0.09 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.67 2occ s PHE 186 Cb 0.13 -1.22 -0.01 0.00 -0.63 0.00 0.00 43.02 41.28 2occ s PHE 186 CO 0.38 0.61 0.13 0.25 -0.05 0.00 0.00 175.22 176.54 2occ n THR 187 N -0.81 0.00 0.25 -4.49 -2.24 -1.26 -5.02 114.28 100.71 2occ n THR 187 Ca -0.05 -2.41 0.09 0.00 -2.27 0.00 0.00 64.05 59.41 2occ n THR 187 Cb 0.61 0.81 0.64 0.00 -2.10 0.00 0.00 70.33 70.28 2occ n THR 187 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2occ h ILE 188 N 1.62 0.83 -0.05 2.28 2.10 -1.96 -2.15 117.51 120.19 2occ h ILE 188 Ca -0.34 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.07 2occ h ILE 188 Cb 1.24 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 2occ h ILE 188 CO 0.54 0.14 0.00 -1.54 -1.08 0.00 0.00 178.15 176.20 2occ n SER 189 N -3.98 0.57 -3.50 2.19 3.41 -1.26 -3.32 113.62 107.73 2occ n SER 189 Ca -0.02 -1.49 -0.40 0.00 -0.26 0.00 0.00 58.87 56.70 2occ n SER 189 Cb 0.23 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 2occ n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2occ n ASP 190 N -0.42 7.66 -0.04 4.04 8.00 -0.81 -4.96 116.55 130.02 2occ n ASP 190 Ca 0.15 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.67 2occ n ASP 190 Cb 0.16 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 2occ n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2occ n GLY 191 N 2.43 0.43 0.23 0.44 0.00 -1.26 -2.21 105.19 105.26 2occ n GLY 191 Ca 0.63 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.81 2occ n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2occ h VAL 192 N 0.00 0.88 -0.21 1.61 3.04 -1.92 0.17 116.25 119.82 2occ h VAL 192 Ca 0.00 -0.75 -0.13 0.00 -1.01 0.00 0.00 66.70 64.80 2occ h VAL 192 Cb 0.00 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2occ h VAL 192 CO 0.00 0.20 -0.39 0.22 -1.01 0.00 0.00 177.57 176.58 2occ h TYR 193 N 0.00 0.79 -0.24 3.17 5.03 -1.96 -1.54 116.97 122.22 2occ h TYR 193 Ca -0.00 -0.28 -0.16 0.00 2.58 0.00 0.00 58.73 60.86 2occ h TYR 193 Cb 0.42 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2occ h TYR 193 CO 0.00 1.04 -0.51 0.78 -1.32 0.00 0.00 178.16 178.15 2occ h GLY 194 N 0.32 0.74 1.00 1.82 0.00 -1.14 -2.08 103.07 103.71 2occ h GLY 194 Ca 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 2occ h GLY 194 CO 0.09 0.74 -0.36 1.76 0.00 0.00 0.00 176.54 178.77 2occ h SER 195 N 0.53 -0.85 -0.84 0.19 0.02 -0.93 -2.29 113.55 109.37 2occ h SER 195 Ca 0.02 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2occ h SER 195 Cb 1.06 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 2occ h SER 195 CO 0.10 -0.60 0.49 0.74 -1.14 0.00 0.00 176.83 176.43 2occ h THR 196 N -1.02 0.91 0.06 -2.27 2.02 -1.34 -2.17 112.91 109.10 2occ h THR 196 Ca -0.10 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2occ h THR 196 Cb 0.77 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2occ h THR 196 CO 0.17 0.15 -0.03 0.15 0.37 0.00 0.00 175.52 176.33 2occ h PHE 197 N 0.82 -0.08 -0.00 3.16 3.04 -1.33 -3.00 116.94 119.54 2occ h PHE 197 Ca 0.41 -0.00 -0.17 0.00 3.98 0.00 0.00 57.97 62.18 2occ h PHE 197 Cb 0.37 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 2occ h PHE 197 CO -0.05 0.45 -0.79 0.74 -2.02 0.00 0.00 178.31 176.63 2occ h PHE 198 N -0.67 0.12 0.24 0.41 0.04 -1.39 -1.99 116.94 113.71 2occ h PHE 198 Ca -0.01 -0.06 -0.33 0.00 2.80 0.00 0.00 57.97 60.37 2occ h PHE 198 Cb 0.56 -0.01 0.03 0.00 2.20 0.00 0.00 35.95 38.73 2occ h PHE 198 CO 0.11 0.84 -1.47 -0.39 -0.60 0.00 0.00 178.31 176.80 2occ h VAL 199 N 0.05 1.29 -0.15 -0.55 -1.51 -1.54 -0.13 116.25 113.71 2occ h VAL 199 Ca -0.02 -2.74 -0.03 0.00 -1.23 0.00 0.00 66.70 62.69 2occ h VAL 199 Cb 1.39 3.02 -0.01 0.00 -2.13 0.00 0.00 31.29 33.56 2occ h VAL 199 CO 0.11 0.82 -0.00 0.00 -1.23 0.00 0.00 177.57 177.27 2occ h ALA 200 N 0.21 0.20 0.00 5.19 0.00 -1.62 -1.41 119.26 121.84 2occ h ALA 200 Ca -0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2occ h ALA 200 Cb 2.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 2occ h ALA 200 CO 0.26 -0.09 -0.43 1.79 0.00 0.00 0.00 179.25 180.79 2occ h THR 201 N 0.01 0.89 -0.37 0.00 1.35 -1.49 -2.74 112.91 110.56 2occ h THR 201 Ca 0.04 -1.79 -0.13 0.00 -0.55 0.00 0.00 66.41 63.99 2occ h THR 201 Cb 0.38 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 2occ h THR 201 CO 0.01 0.42 -0.26 1.23 -0.25 0.00 0.00 175.52 176.67 2occ h GLY 202 N 2.54 0.90 1.07 5.82 0.00 -0.84 -0.13 103.07 112.43 2occ h GLY 202 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 47.33 46.35 2occ h GLY 202 CO 0.06 0.79 -0.11 0.74 0.00 0.00 0.00 176.54 178.01 2occ h PHE 203 N 0.63 1.09 -0.70 5.60 0.04 -1.24 -0.76 116.94 121.60 2occ h PHE 203 Ca 0.07 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 2occ h PHE 203 Cb 0.83 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2occ h PHE 203 CO 0.06 1.03 0.29 1.25 -0.60 0.00 0.00 178.31 180.34 2occ h HIS 204 N 0.84 1.05 -0.53 -0.55 2.76 -1.39 -0.55 115.15 116.78 2occ h HIS 204 Ca 0.13 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2occ h HIS 204 Cb 0.67 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 2occ h HIS 204 CO 0.05 0.81 0.22 0.78 -1.30 0.00 0.00 177.93 178.49 2occ h GLY 205 N 0.99 0.82 1.38 5.26 0.00 -0.74 -0.09 103.07 110.69 2occ h GLY 205 Ca 0.23 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2occ h GLY 205 CO -0.02 0.38 -0.24 -2.00 0.00 0.00 0.00 176.54 174.66 2occ h LEU 206 N 0.76 0.72 -1.08 3.11 5.85 -0.52 -2.67 115.31 121.47 2occ h LEU 206 Ca 0.18 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2occ h LEU 206 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2occ h LEU 206 CO -0.02 0.94 -0.44 0.45 -0.34 0.00 0.00 178.44 179.03 2occ h HIS 207 N 0.62 0.05 -0.30 1.25 3.86 0.16 -1.59 115.15 119.19 2occ h HIS 207 Ca 0.08 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 2occ h HIS 207 Cb 0.73 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2occ h HIS 207 CO 0.03 0.48 -0.38 0.28 0.86 0.00 0.00 177.93 179.20 2occ h VAL 208 N 0.04 1.29 -0.40 2.45 2.07 -0.90 -0.55 116.25 120.25 2occ h VAL 208 Ca -0.00 -1.55 -0.12 0.00 0.82 0.00 0.00 66.70 65.86 2occ h VAL 208 Cb 0.79 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2occ h VAL 208 CO 0.06 0.50 -0.20 0.40 0.02 0.00 0.00 177.57 178.35 2occ h ILE 209 N 0.58 1.28 -0.68 4.57 2.04 -1.17 -0.86 117.51 123.27 2occ h ILE 209 Ca 0.05 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 2occ h ILE 209 Cb 0.91 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2occ h ILE 209 CO 0.08 0.45 0.30 0.40 0.00 0.00 0.00 178.15 179.38 2occ h ILE 210 N 0.65 1.24 -0.44 -0.67 2.04 -1.13 -2.03 117.51 117.17 2occ h ILE 210 Ca 0.09 -0.71 -0.11 0.00 1.00 0.00 0.00 64.86 65.13 2occ h ILE 210 Cb 0.76 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2occ h ILE 210 CO 0.06 0.29 -0.17 1.23 0.00 0.00 0.00 178.15 179.56 2occ h GLY 211 N 0.96 0.91 0.97 5.37 0.00 -0.96 -2.10 103.07 108.22 2occ h GLY 211 Ca 0.23 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2occ h GLY 211 CO -0.02 0.68 0.21 1.76 0.00 0.00 0.00 176.54 179.17 2occ h SER 212 N 0.74 0.68 0.53 0.19 0.02 -0.88 0.04 113.55 114.88 2occ h SER 212 Ca 0.11 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 2occ h SER 212 Cb 0.69 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2occ h SER 212 CO 0.05 0.65 -0.49 0.00 -1.14 0.00 0.00 176.83 175.90 2occ h THR 213 N 0.67 1.31 -0.41 -2.27 1.03 -1.27 0.16 112.91 112.12 2occ h THR 213 Ca 0.17 -1.69 -0.05 0.00 -0.01 0.00 0.00 66.41 64.83 2occ h THR 213 Cb 0.17 1.92 -0.02 0.00 -1.07 0.00 0.00 68.15 69.16 2occ h THR 213 CO -0.02 0.48 0.08 0.15 -0.01 0.00 0.00 175.52 176.20 2occ h PHE 214 N 0.00 0.72 -0.33 0.00 3.04 -0.91 0.17 116.94 119.63 2occ h PHE 214 Ca -0.00 -0.10 -0.09 0.00 3.98 0.00 0.00 57.97 61.76 2occ h PHE 214 Cb 0.88 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 2occ h PHE 214 CO 0.00 0.69 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.73 2occ h LEU 215 N 0.53 0.61 -0.56 0.59 3.38 -0.54 -0.99 115.31 118.32 2occ h LEU 215 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2occ h LEU 215 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2occ h LEU 215 CO 0.01 0.80 0.20 0.40 0.09 0.00 0.00 178.44 179.93 2occ h ILE 216 N 0.55 1.23 -0.50 1.22 2.04 0.08 0.91 117.51 123.04 2occ h ILE 216 Ca 0.09 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2occ h ILE 216 Cb 0.62 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2occ h ILE 216 CO 0.04 0.29 0.27 0.58 0.00 0.00 0.00 178.15 179.33 2occ h VAL 217 N 0.78 0.99 -0.15 1.67 2.07 -0.12 0.11 116.25 121.60 2occ h VAL 217 Ca 0.18 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2occ h VAL 217 Cb 0.25 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2occ h VAL 217 CO -0.01 0.10 -0.06 0.00 0.02 0.00 0.00 177.57 177.61 2occ h PHE 219 N 0.22 0.11 -0.26 0.00 3.57 0.12 -1.66 116.94 119.04 2occ h PHE 219 Ca 0.05 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2occ h PHE 219 Cb 0.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2occ h PHE 219 CO 0.00 0.17 -0.36 0.74 -2.23 0.00 0.00 178.31 176.63 2occ h PHE 220 N 0.03 0.68 -0.17 0.41 0.04 -1.12 -1.44 116.94 115.37 2occ h PHE 220 Ca 0.03 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.56 2occ h PHE 220 Cb 0.09 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2occ h PHE 220 CO -0.04 0.86 -0.12 0.00 -0.60 0.00 0.00 178.31 178.41 2occ h ARG 221 N 0.49 0.27 -0.23 1.51 3.08 -1.28 -2.25 114.38 115.97 2occ h ARG 221 Ca 0.05 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 2occ h ARG 221 Cb 0.85 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2occ h ARG 221 CO 0.07 0.40 -0.65 0.37 -1.07 0.00 0.00 179.97 179.09 2occ h GLN 222 N 0.26 0.84 -0.70 0.04 5.75 -0.80 -0.83 115.11 119.66 2occ h GLN 222 Ca 0.05 -0.60 0.08 0.00 -0.15 0.00 0.00 58.65 58.04 2occ h GLN 222 Cb 0.38 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 2occ h GLN 222 CO 0.02 1.22 0.46 -0.07 -2.65 0.00 0.00 178.83 177.81 2occ h LEU 223 N 0.61 0.57 -2.28 -2.39 3.38 -0.72 -1.69 115.31 112.78 2occ h LEU 223 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2occ h LEU 223 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2occ h LEU 223 CO 0.14 0.35 0.00 0.29 0.09 0.00 0.00 178.44 179.31 2occ n LYS 224 N -4.49 2.98 -2.00 1.13 5.02 -0.93 -4.94 118.16 114.93 2occ n LYS 224 Ca 0.11 -1.82 -0.17 0.00 -2.02 0.00 0.00 58.31 54.40 2occ n LYS 224 Cb 0.29 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 2occ n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2occ n PHE 225 N 0.51 -0.72 0.16 2.13 3.01 -0.64 -4.87 117.46 117.04 2occ n PHE 225 Ca 0.16 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.66 2occ n PHE 225 Cb 0.69 -3.29 0.46 0.00 -0.01 0.00 0.00 39.48 37.33 2occ n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2occ h HIS 226 N 0.00 0.17 -3.19 1.38 3.86 -1.38 -3.43 115.15 112.56 2occ h HIS 226 Ca -0.39 -0.01 -0.58 0.00 -1.16 0.00 0.00 60.37 58.23 2occ h HIS 226 Cb 1.23 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.59 2occ h HIS 226 CO 0.56 0.26 -0.10 -0.06 0.86 0.00 0.00 177.93 179.45 2occ s PHE 227 N -4.82 3.71 0.32 2.45 0.08 -1.26 -4.97 117.98 113.50 2occ s PHE 227 Ca -0.05 1.10 0.07 0.00 0.12 0.00 0.00 56.93 58.18 2occ s PHE 227 Cb 0.16 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2occ s PHE 227 CO 0.71 0.50 0.29 0.95 -0.10 0.00 0.00 175.22 177.57 2occ s THR 228 N -0.66 3.67 0.18 0.64 -4.23 -0.97 -4.99 115.64 109.29 2occ s THR 228 Ca 0.27 -1.36 0.30 0.00 -1.18 0.00 0.00 61.69 59.72 2occ s THR 228 Cb -0.18 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.74 2occ s THR 228 CO 0.15 -0.20 1.91 0.77 -0.54 0.00 0.00 174.62 176.72 2occ h SER 229 N 1.27 0.00 0.00 3.99 4.64 -1.91 -3.05 113.55 118.49 2occ h SER 229 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2occ h SER 229 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2occ h SER 229 CO 0.58 0.00 -1.04 0.59 -0.87 0.00 0.00 176.83 176.09 2occ n ASN 230 N -2.58 4.58 -4.02 4.97 5.03 -1.26 -4.44 115.26 117.54 2occ n ASN 230 Ca -0.02 -0.01 -0.31 0.00 0.87 0.00 0.00 54.58 55.11 2occ n ASN 230 Cb 0.09 1.06 -0.15 0.00 -1.02 0.00 0.00 39.78 39.76 2occ n ASN 230 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2occ s HIS 231 N -2.07 3.41 -0.43 3.10 2.46 -1.15 -4.92 115.29 115.69 2occ s HIS 231 Ca -0.00 -2.62 0.08 0.00 0.47 0.00 0.00 55.06 52.98 2occ s HIS 231 Cb 0.01 -2.41 0.36 0.00 -0.13 0.00 0.00 32.58 30.40 2occ s HIS 231 CO 0.06 -0.91 1.23 -2.39 -2.47 0.00 0.00 174.74 170.26 2occ n HIS 232 N 4.37 -2.61 -0.03 3.88 1.44 -1.26 -2.30 115.22 118.71 2occ n HIS 232 Ca -0.04 -2.05 0.02 0.00 -2.01 0.00 0.00 57.72 53.64 2occ n HIS 232 Cb 0.42 1.58 0.37 0.00 0.12 0.00 0.00 29.99 32.48 2occ n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 2occ h PHE 233 N 2.50 0.58 -0.47 -1.40 3.57 -1.97 -2.06 116.94 117.70 2occ h PHE 233 Ca -0.19 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.38 2occ h PHE 233 Cb 1.20 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2occ h PHE 233 CO 0.23 0.42 0.32 0.78 -2.23 0.00 0.00 178.31 177.83 2occ h GLY 234 N 0.69 0.41 1.63 2.40 0.00 -1.99 0.33 103.07 106.54 2occ h GLY 234 Ca 0.15 -0.13 -0.26 0.00 0.00 0.00 0.00 47.33 47.10 2occ h GLY 234 CO -0.02 0.09 -1.25 -2.75 0.00 0.00 0.00 176.54 172.61 2occ h PHE 235 N 0.31 0.28 -0.20 5.60 3.57 -1.79 -2.47 116.94 122.24 2occ h PHE 235 Ca 0.21 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2occ h PHE 235 Cb 0.42 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2occ h PHE 235 CO -0.00 1.18 0.02 0.93 -2.23 0.00 0.00 178.31 178.21 2occ h GLU 236 N 0.04 0.34 -0.57 1.11 5.08 -0.89 -0.09 114.58 119.61 2occ h GLU 236 Ca -0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2occ h GLU 236 Cb 1.91 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.10 2occ h GLU 236 CO 0.16 0.51 0.37 0.00 -1.00 0.00 0.00 179.01 179.05 2occ h ALA 237 N 0.82 0.72 -0.96 3.43 0.00 -1.07 0.12 119.26 122.31 2occ h ALA 237 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2occ h ALA 237 Cb 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2occ h ALA 237 CO 0.01 0.17 0.63 0.78 0.00 0.00 0.00 179.25 180.84 2occ h GLY 238 N 0.77 1.38 1.17 0.00 0.00 -1.34 -0.66 103.07 104.38 2occ h GLY 238 Ca 0.21 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 2occ h GLY 238 CO -0.04 0.46 -0.38 0.00 0.00 0.00 0.00 176.54 176.57 2occ h ALA 239 N 1.37 0.60 -0.27 3.60 0.00 0.08 -1.49 119.26 123.16 2occ h ALA 239 Ca 0.37 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2occ h ALA 239 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2occ h ALA 239 CO -0.10 0.68 -0.10 -1.49 0.00 0.00 0.00 179.25 178.24 2occ h TRP 240 N 0.75 0.62 -0.93 0.00 6.55 -0.36 -2.10 115.95 120.48 2occ h TRP 240 Ca 0.06 -0.15 0.03 0.00 0.95 0.00 0.00 58.89 59.79 2occ h TRP 240 Cb 0.97 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 29.07 2occ h TRP 240 CO 0.06 0.78 0.61 -0.92 -1.05 0.00 0.00 178.44 177.92 2occ h TYR 241 N 0.28 1.14 -0.39 0.49 3.20 -1.09 -1.80 116.97 118.82 2occ h TYR 241 Ca 0.06 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2occ h TYR 241 Cb 0.60 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2occ h TYR 241 CO 0.06 0.67 -0.18 2.35 -1.64 0.00 0.00 178.16 179.42 2occ h TRP 242 N 1.19 0.82 0.00 -3.82 2.91 -1.06 -1.82 115.95 114.17 2occ h TRP 242 Ca 0.37 -0.17 -0.11 0.00 1.13 0.00 0.00 58.89 60.11 2occ h TRP 242 Cb -0.02 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.42 2occ h TRP 242 CO -0.00 0.86 -0.53 0.45 -1.03 0.00 0.00 178.44 178.19 2occ h HIS 243 N 0.65 0.00 -0.17 2.65 3.86 -0.77 -1.96 115.15 119.42 2occ h HIS 243 Ca 0.10 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2occ h HIS 243 Cb 0.67 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2occ h HIS 243 CO 0.03 0.53 0.01 0.35 0.86 0.00 0.00 177.93 179.71 2occ h PHE 244 N 0.00 0.31 -0.49 2.45 3.57 -0.95 0.37 116.94 122.20 2occ h PHE 244 Ca -0.01 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2occ h PHE 244 Cb 1.02 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 2occ h PHE 244 CO 0.00 0.48 0.32 0.28 -2.23 0.00 0.00 178.31 177.16 2occ h VAL 245 N 0.05 1.09 -0.10 1.41 2.07 -1.18 0.45 116.25 120.03 2occ h VAL 245 Ca 0.05 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2occ h VAL 245 Cb 0.35 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2occ h VAL 245 CO 0.01 0.11 -0.11 -0.78 0.02 0.00 0.00 177.57 176.82 2occ h ASP 246 N 0.61 0.27 -0.70 0.57 1.82 -1.06 -2.77 116.42 115.15 2occ h ASP 246 Ca 0.19 -0.49 -0.05 0.00 -0.39 0.00 0.00 57.03 56.29 2occ h ASP 246 Cb 0.01 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 2occ h ASP 246 CO -0.05 0.71 0.24 0.58 -1.61 0.00 0.00 179.24 179.11 2occ h VAL 247 N -0.16 1.25 -0.79 2.25 2.07 0.02 -2.13 116.25 118.77 2occ h VAL 247 Ca 0.01 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2occ h VAL 247 Cb 0.63 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2occ h VAL 247 CO 0.03 0.33 0.52 0.58 0.02 0.00 0.00 177.57 179.05 2occ h VAL 248 N 1.03 1.20 -0.47 2.57 2.07 -0.96 -2.00 116.25 119.68 2occ h VAL 248 Ca 0.23 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2occ h VAL 248 Cb 0.27 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2occ h VAL 248 CO -0.01 0.19 0.17 -0.25 0.02 0.00 0.00 177.57 177.69 2occ h TRP 249 N 1.06 0.75 -0.99 1.57 2.91 -1.10 -0.99 115.95 119.16 2occ h TRP 249 Ca 0.29 -0.07 0.11 0.00 1.13 0.00 0.00 58.89 60.35 2occ h TRP 249 Cb -0.12 -0.22 -0.08 0.00 -0.51 0.00 0.00 29.16 28.23 2occ h TRP 249 CO -0.00 0.65 0.63 -0.07 -1.03 0.00 0.00 178.44 178.62 2occ h LEU 250 N 0.63 0.93 -0.40 0.65 3.38 -0.90 0.34 115.31 119.93 2occ h LEU 250 Ca 0.15 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2occ h LEU 250 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2occ h LEU 250 CO -0.01 0.51 -0.35 -0.26 0.09 0.00 0.00 178.44 178.42 2occ h PHE 251 N 1.00 1.13 0.55 1.13 0.04 -1.03 -1.45 116.94 118.32 2occ h PHE 251 Ca 0.48 -0.33 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 2occ h PHE 251 Cb 0.44 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 2occ h PHE 251 CO -0.00 1.16 -0.30 -0.07 -0.60 0.00 0.00 178.31 178.49 2occ h LEU 252 N 0.78 -0.75 -0.46 1.54 3.38 0.22 0.28 115.31 120.31 2occ h LEU 252 Ca 0.07 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2occ h LEU 252 Cb 0.95 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 2occ h LEU 252 CO 0.09 -0.50 -0.03 0.22 0.09 0.00 0.00 178.44 178.31 2occ h TYR 253 N -0.80 -0.09 -0.35 1.13 3.20 -0.35 0.20 116.97 119.92 2occ h TYR 253 Ca -0.07 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 2occ h TYR 253 Cb 0.63 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2occ h TYR 253 CO -0.07 -0.13 -0.31 0.28 -1.64 0.00 0.00 178.16 176.29 2occ h VAL 254 N 0.08 1.28 0.00 1.81 2.07 -1.17 -0.90 116.25 119.42 2occ h VAL 254 Ca 0.23 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2occ h VAL 254 Cb 0.34 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2occ h VAL 254 CO -0.41 0.48 -0.00 0.28 0.02 0.00 0.00 177.57 177.94 2occ h SER 255 N 0.64 -0.00 0.02 0.57 0.02 0.36 -2.09 113.55 113.07 2occ h SER 255 Ca 0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2occ h SER 255 Cb 0.84 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.39 2occ h SER 255 CO 0.07 0.25 -0.51 0.40 -1.14 0.00 0.00 176.83 175.90 2occ h ILE 256 N -0.50 1.49 0.18 3.27 2.04 -0.83 0.27 117.51 123.43 2occ h ILE 256 Ca -0.00 -2.11 -0.31 0.00 1.00 0.00 0.00 64.86 63.44 2occ h ILE 256 Cb 0.00 2.76 0.03 0.00 -0.74 0.00 0.00 36.82 38.87 2occ h ILE 256 CO 0.00 0.60 -1.34 1.88 0.00 0.00 0.00 178.15 179.29 2occ h TYR 257 N -0.29 0.83 0.00 1.37 -1.99 -1.45 -3.29 116.97 112.15 2occ h TYR 257 Ca -0.07 -0.58 0.00 0.00 2.00 0.00 0.00 58.73 60.08 2occ h TYR 257 Cb 1.26 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.94 2occ h TYR 257 CO 0.17 1.44 0.00 1.87 -0.00 0.00 0.00 178.16 181.64 2occ n TRP 258 N -3.68 0.00 -0.11 4.88 -0.00 -0.36 -4.35 117.44 113.83 2occ n TRP 258 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.28 2occ n TRP 258 Cb 1.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.31 32.19 2occ n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 2occ h TRP 259 N 0.00 0.49 0.00 5.87 7.01 -1.43 -2.98 115.95 124.91 2occ h TRP 259 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2occ h TRP 259 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2occ h TRP 259 CO 0.00 0.42 0.00 0.41 -2.79 0.00 0.00 178.44 176.48 2occ n GLY 260 N -0.89 0.60 0.00 2.65 0.00 0.93 -5.02 105.19 103.47 2occ n GLY 260 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2occ n GLY 260 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76