#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llq s PHE -4 N 0.00 2.70 -0.06 -0.72 0.40 -1.26 -5.13 117.98 113.90 3llq s PHE -4 Ca 0.00 -0.28 -0.21 0.00 -0.60 0.00 0.00 56.93 55.84 3llq s PHE -4 Cb 0.00 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 3llq s PHE -4 CO 0.00 0.53 0.61 -1.14 0.70 0.00 0.00 175.22 175.93 3llq s GLN -3 N -3.73 4.38 -0.10 0.44 0.74 -1.26 -4.96 119.66 115.18 3llq s GLN -3 Ca 0.33 0.73 0.09 0.00 0.05 0.00 0.00 55.36 56.56 3llq s GLN -3 Cb -0.05 -3.42 -0.12 0.00 1.10 0.00 0.00 33.01 30.52 3llq s GLN -3 CO 0.21 0.17 0.03 -1.13 -0.55 0.00 0.00 175.29 174.02 3llq n SER -2 N 3.47 2.56 -3.98 6.67 3.41 -1.26 -5.00 113.62 119.49 3llq n SER -2 Ca -0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 3llq n SER -2 Cb 0.51 0.75 -0.12 0.00 -0.26 0.00 0.00 64.21 65.09 3llq n SER -2 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3llq s TYR -1 N -2.24 0.34 0.76 7.33 2.02 -1.26 -5.15 117.35 119.14 3llq s TYR -1 Ca -0.05 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 3llq s TYR -1 Cb 0.03 -0.22 0.05 0.00 -0.40 0.00 0.00 41.96 41.42 3llq s TYR -1 CO 0.40 -0.12 1.11 0.14 -1.57 0.00 0.00 175.55 175.51 3llq s VAL 0 N -1.13 3.06 0.21 0.71 -7.23 -1.26 -4.81 120.40 109.94 3llq s VAL 0 Ca -0.11 0.39 -0.06 0.00 -1.81 0.00 0.00 61.98 60.39 3llq s VAL 0 Cb -0.08 -2.83 0.09 0.00 0.56 0.00 0.00 36.38 34.12 3llq s VAL 0 CO -0.00 -0.40 1.70 -0.03 -0.31 0.00 0.00 175.10 176.05 3llq h MET 1 N -0.86 1.00 -0.98 4.82 4.05 -2.00 -2.22 114.93 118.73 3llq h MET 1 Ca -0.45 -0.28 0.13 0.00 -0.28 0.00 0.00 59.70 58.82 3llq h MET 1 Cb 1.24 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 31.85 3llq h MET 1 CO 0.51 0.96 0.62 0.78 0.23 0.00 0.00 176.91 180.00 3llq h GLY 2 N 1.01 1.56 1.09 1.39 0.00 -1.99 0.53 103.07 106.66 3llq h GLY 2 Ca 0.17 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 3llq h GLY 2 CO 0.02 0.12 -0.47 3.21 0.00 0.00 0.00 176.54 179.42 3llq h ARG 3 N 0.90 0.82 -0.27 4.80 3.08 -1.77 -1.05 114.38 120.89 3llq h ARG 3 Ca 0.50 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3llq h ARG 3 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3llq h ARG 3 CO -0.27 1.14 -0.03 0.87 -1.07 0.00 0.00 179.97 180.61 3llq h LYS 4 N 0.59 0.42 0.10 0.04 1.57 -1.13 -1.21 116.57 116.95 3llq h LYS 4 Ca 0.02 -0.08 -0.29 0.00 -1.87 0.00 0.00 60.65 58.42 3llq h LYS 4 Cb 1.07 -0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.35 3llq h LYS 4 CO 0.11 0.47 -1.20 -0.07 -0.57 0.00 0.00 179.45 178.18 3llq h LEU 5 N 0.40 0.89 -0.28 2.94 3.38 -0.60 -1.39 115.31 120.66 3llq h LEU 5 Ca 0.09 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3llq h LEU 5 Cb 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3llq h LEU 5 CO 0.01 1.60 0.18 -0.07 0.09 0.00 0.00 178.44 180.25 3llq h LEU 6 N 0.29 0.32 -0.58 1.67 3.38 -1.11 0.92 115.31 120.21 3llq h LEU 6 Ca -0.18 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.88 3llq h LEU 6 Cb 1.87 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.43 3llq h LEU 6 CO 0.23 0.25 -0.18 0.00 0.09 0.00 0.00 178.44 178.83 3llq h ALA 7 N 1.09 0.30 -0.35 1.53 0.00 -1.16 0.15 119.26 120.81 3llq h ALA 7 Ca 0.10 0.22 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3llq h ALA 7 Cb -0.02 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3llq h ALA 7 CO -0.02 -0.48 -0.40 0.93 0.00 0.00 0.00 179.25 179.28 3llq h GLU 8 N -0.04 0.87 -0.21 0.00 4.39 -1.01 -0.74 114.58 117.83 3llq h GLU 8 Ca 0.27 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3llq h GLU 8 Cb 0.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3llq h GLU 8 CO -0.62 1.10 0.12 0.35 -1.16 0.00 0.00 179.01 178.81 3llq h PHE 9 N 0.71 0.28 -0.11 4.33 3.57 -0.30 -1.58 116.94 123.83 3llq h PHE 9 Ca 0.06 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.37 3llq h PHE 9 Cb 0.98 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3llq h PHE 9 CO 0.06 0.24 -0.70 0.74 -2.23 0.00 0.00 178.31 176.41 3llq h PHE 10 N 0.24 0.65 -0.04 0.41 0.04 -0.57 -1.30 116.94 116.36 3llq h PHE 10 Ca 0.07 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 3llq h PHE 10 Cb 0.04 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 3llq h PHE 10 CO -0.04 1.04 -0.00 0.78 -0.60 0.00 0.00 178.31 179.49 3llq h GLY 11 N 1.13 0.08 1.60 -1.45 0.00 -1.12 -0.21 103.07 103.10 3llq h GLY 11 Ca -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3llq h GLY 11 CO 0.13 0.06 -0.08 -0.84 0.00 0.00 0.00 176.54 175.80 3llq h THR 12 N -0.22 1.22 -0.23 4.70 2.02 -1.30 -0.38 112.91 118.72 3llq h THR 12 Ca 0.01 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.30 3llq h THR 12 Cb 0.33 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3llq h THR 12 CO 0.00 0.31 0.06 0.15 0.37 0.00 0.00 175.52 176.41 3llq h PHE 13 N 0.47 0.10 -0.87 3.16 3.57 -1.09 -1.81 116.94 120.47 3llq h PHE 13 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3llq h PHE 13 Cb 0.43 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3llq h PHE 13 CO 0.01 0.04 0.47 2.35 -2.23 0.00 0.00 178.31 178.95 3llq h TRP 14 N 0.16 1.21 -0.50 0.41 -0.00 -0.50 0.27 115.95 116.99 3llq h TRP 14 Ca 0.10 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.93 3llq h TRP 14 Cb 0.09 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 28.84 3llq h TRP 14 CO -0.14 0.84 0.21 1.25 -0.00 0.00 0.00 178.44 180.60 3llq h LEU 15 N 1.22 0.68 0.01 0.65 6.46 -0.81 0.25 115.31 123.77 3llq h LEU 15 Ca 0.30 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3llq h LEU 15 Cb 0.05 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 3llq h LEU 15 CO -0.05 0.66 -0.22 0.58 -0.62 0.00 0.00 178.44 178.79 3llq h VAL 16 N 0.67 1.59 -0.98 1.05 2.07 -1.12 0.35 116.25 119.88 3llq h VAL 16 Ca 0.17 -2.01 0.07 0.00 0.82 0.00 0.00 66.70 65.74 3llq h VAL 16 Cb 0.18 2.89 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 3llq h VAL 16 CO -0.02 0.54 0.63 0.15 0.02 0.00 0.00 177.57 178.90 3llq h PHE 17 N -0.60 1.17 0.10 1.57 3.57 -0.41 0.03 116.94 122.37 3llq h PHE 17 Ca -0.03 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 3llq h PHE 17 Cb 1.01 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.38 3llq h PHE 17 CO 0.20 0.59 -0.88 0.78 -2.23 0.00 0.00 178.31 176.77 3llq h GLY 18 N 1.13 0.25 0.39 2.40 0.00 -0.57 -1.32 103.07 105.35 3llq h GLY 18 Ca 0.43 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3llq h GLY 18 CO -0.18 0.56 -0.02 -1.33 0.00 0.00 0.00 176.54 175.56 3llq h GLY 19 N -0.39 -0.06 1.46 4.60 0.00 -0.87 -1.67 103.07 106.13 3llq h GLY 19 Ca -0.18 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 3llq h GLY 19 CO 0.08 -0.02 -0.31 0.00 0.00 0.00 0.00 176.54 176.28 3llq h GLY 21 N 1.02 0.07 0.51 0.00 0.00 -1.11 -0.91 103.07 102.64 3llq h GLY 21 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.47 3llq h GLY 21 CO 0.07 0.03 0.55 1.48 0.00 0.00 0.00 176.54 178.67 3llq h SER 22 N -0.02 0.81 -0.09 0.19 4.64 -1.24 0.11 113.55 117.94 3llq h SER 22 Ca 0.02 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3llq h SER 22 Cb 0.08 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3llq h SER 22 CO -0.00 0.45 0.02 0.00 -0.87 0.00 0.00 176.83 176.43 3llq h ALA 23 N 1.50 0.12 -0.22 5.18 0.00 -1.16 -1.10 119.26 123.57 3llq h ALA 23 Ca 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3llq h ALA 23 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3llq h ALA 23 CO -0.25 -0.25 0.00 0.28 0.00 0.00 0.00 179.25 179.03 3llq h VAL 24 N -0.06 1.25 0.11 0.00 2.07 -0.87 -3.13 116.25 115.63 3llq h VAL 24 Ca 0.03 -0.89 -0.32 0.00 0.82 0.00 0.00 66.70 66.34 3llq h VAL 24 Cb 0.25 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3llq h VAL 24 CO 0.00 0.27 -1.66 -0.26 0.02 0.00 0.00 177.57 175.94 3llq h PHE 25 N 0.16 0.42 0.00 1.57 0.04 -0.90 -3.43 116.94 114.81 3llq h PHE 25 Ca 0.06 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.52 3llq h PHE 25 Cb 0.40 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.54 3llq h PHE 25 CO 0.03 1.43 -0.99 0.00 -0.60 0.00 0.00 178.31 178.19 3llq n ALA 26 N -2.73 1.98 -0.16 2.45 0.00 -0.55 -4.63 120.51 116.87 3llq n ALA 26 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 3llq n ALA 26 Cb 1.05 0.09 0.05 0.00 0.00 0.00 0.00 19.45 20.64 3llq n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3llq h ALA 27 N 0.00 0.60 -0.46 0.00 0.00 -1.19 -2.18 119.26 116.03 3llq h ALA 27 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3llq h ALA 27 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3llq h ALA 27 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3llq n ALA 28 N -2.36 2.38 -1.64 0.00 0.00 -1.26 -1.27 120.51 116.36 3llq n ALA 28 Ca 0.04 -1.33 -0.47 0.00 0.00 0.00 0.00 53.44 51.69 3llq n ALA 28 Cb 0.16 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 3llq n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3llq n PHE 29 N 0.75 1.91 -1.66 0.00 7.35 -1.08 -4.81 117.46 119.93 3llq n PHE 29 Ca 0.17 0.48 -0.46 0.00 -0.76 0.00 0.00 57.45 56.88 3llq n PHE 29 Cb 0.56 -2.42 -0.03 0.00 0.35 0.00 0.00 39.48 37.93 3llq n PHE 29 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3llq n PRO 30 N 2.34 1.94 0.00 -7.13 -0.02 -1.26 -1.30 135.00 129.58 3llq n PRO 30 Ca 0.14 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3llq n PRO 30 Cb 0.28 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3llq n PRO 30 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3llq n GLU 31 N 2.42 0.00 0.00 -0.52 -0.58 -1.26 -4.28 120.64 116.42 3llq n GLU 31 Ca 0.14 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.89 3llq n GLU 31 Cb 0.29 -0.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 3llq n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3llq n LEU 32 N 0.00 0.93 -4.59 -4.62 4.77 -1.22 -5.06 117.00 107.21 3llq n LEU 32 Ca 0.00 -0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 54.82 3llq n LEU 32 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 3llq n LEU 32 CO 0.00 0.21 0.56 0.61 -1.33 0.00 0.00 177.39 177.44 3llq n GLY 33 N 0.42 -0.97 0.02 -0.72 0.00 -0.42 -4.94 105.19 98.59 3llq n GLY 33 Ca 0.01 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.30 3llq n GLY 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3llq n ILE 34 N -4.43 0.13 -3.24 -0.61 -5.35 -0.84 -4.89 119.36 100.13 3llq n ILE 34 Ca 0.09 -0.16 0.05 0.00 -0.27 0.00 0.00 62.75 62.46 3llq n ILE 34 Cb 0.53 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.68 3llq n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3llq n GLY 35 N 1.41 -1.58 0.31 3.28 0.00 -0.40 -1.59 105.19 106.63 3llq n GLY 35 Ca 0.03 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.93 3llq n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3llq h PHE 36 N -0.37 0.43 -0.11 1.61 0.04 -1.98 -2.67 116.94 113.90 3llq h PHE 36 Ca 0.01 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3llq h PHE 36 Cb 0.36 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3llq h PHE 36 CO 0.00 0.26 0.06 1.15 -0.60 0.00 0.00 178.31 179.18 3llq h THR 37 N 0.45 1.07 -0.45 -1.55 2.02 -1.96 -1.01 112.91 111.47 3llq h THR 37 Ca 0.16 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3llq h THR 37 Cb 0.07 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3llq h THR 37 CO -0.04 0.06 -0.03 1.23 0.37 0.00 0.00 175.52 177.11 3llq h GLY 38 N 0.10 0.82 1.00 2.16 0.00 -1.17 -0.69 103.07 105.29 3llq h GLY 38 Ca 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3llq h GLY 38 CO -0.01 0.52 0.28 -2.08 0.00 0.00 0.00 176.54 175.25 3llq h VAL 39 N 0.71 1.23 -0.26 4.60 2.07 -1.33 -0.28 116.25 122.99 3llq h VAL 39 Ca 0.13 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3llq h VAL 39 Cb 0.48 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3llq h VAL 39 CO 0.02 0.27 0.05 0.00 0.02 0.00 0.00 177.57 177.93 3llq h ALA 40 N 1.11 0.35 -0.47 1.67 0.00 -0.83 -0.59 119.26 120.50 3llq h ALA 40 Ca 0.21 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3llq h ALA 40 Cb 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3llq h ALA 40 CO -0.02 0.03 0.15 1.25 0.00 0.00 0.00 179.25 180.65 3llq h LEU 41 N 0.25 0.12 -0.31 0.00 5.85 -1.02 -2.27 115.31 117.93 3llq h LEU 41 Ca 0.08 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3llq h LEU 41 Cb 0.32 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3llq h LEU 41 CO 0.00 0.10 0.18 0.00 -0.34 0.00 0.00 178.44 178.38 3llq h ALA 42 N 1.33 0.39 -0.61 1.25 0.00 -0.37 -0.30 119.26 120.95 3llq h ALA 42 Ca 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3llq h ALA 42 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3llq h ALA 42 CO -0.25 -0.09 0.21 0.74 0.00 0.00 0.00 179.25 179.85 3llq h PHE 43 N 0.39 0.97 -0.72 0.00 0.04 -1.02 -1.00 116.94 115.60 3llq h PHE 43 Ca 0.11 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3llq h PHE 43 Cb 0.04 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 3llq h PHE 43 CO -0.04 0.79 0.33 0.78 -0.60 0.00 0.00 178.31 179.57 3llq h GLY 44 N 0.86 1.11 1.95 -1.45 0.00 -0.89 -2.85 103.07 101.80 3llq h GLY 44 Ca 0.20 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3llq h GLY 44 CO -0.01 0.52 -0.63 1.41 0.00 0.00 0.00 176.54 177.83 3llq h LEU 45 N 1.02 0.05 -1.22 3.11 3.38 -0.48 -1.54 115.31 119.64 3llq h LEU 45 Ca 0.25 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3llq h LEU 45 Cb 0.13 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3llq h LEU 45 CO -0.03 0.67 0.53 0.71 0.09 0.00 0.00 178.44 180.41 3llq h THR 46 N 0.03 1.19 0.01 0.22 1.35 -0.95 0.08 112.91 114.84 3llq h THR 46 Ca -0.01 -0.36 -0.05 0.00 -0.55 0.00 0.00 66.41 65.44 3llq h THR 46 Cb 1.13 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3llq h THR 46 CO 0.09 0.19 -0.20 0.58 -0.25 0.00 0.00 175.52 175.93 3llq h VAL 47 N 1.06 1.62 -0.52 6.82 2.07 -1.54 -1.09 116.25 124.67 3llq h VAL 47 Ca 0.30 -2.08 0.10 0.00 0.82 0.00 0.00 66.70 65.83 3llq h VAL 47 Cb -0.09 2.98 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 3llq h VAL 47 CO -0.07 0.56 0.06 0.25 0.02 0.00 0.00 177.57 178.39 3llq h LEU 48 N -0.66 -0.09 -0.12 2.57 6.46 -1.08 0.25 115.31 122.65 3llq h LEU 48 Ca -0.03 0.11 -0.24 0.00 -0.12 0.00 0.00 57.88 57.60 3llq h LEU 48 Cb 1.03 0.17 0.01 0.00 -0.73 0.00 0.00 40.66 41.13 3llq h LEU 48 CO 0.04 -0.02 -0.96 0.71 -0.62 0.00 0.00 178.44 177.58 3llq h THR 49 N 0.19 1.35 0.00 1.05 1.35 -1.02 -1.77 112.91 114.05 3llq h THR 49 Ca 0.26 -2.33 -0.12 0.00 -0.55 0.00 0.00 66.41 63.68 3llq h THR 49 Cb 0.38 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 3llq h THR 49 CO -0.38 0.71 -0.55 0.24 -0.25 0.00 0.00 175.52 175.28 3llq h MET 50 N 0.31 0.00 -0.32 4.72 2.86 -1.13 -0.37 114.93 121.01 3llq h MET 50 Ca -0.10 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 3llq h MET 50 Cb 1.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 3llq h MET 50 CO 0.18 0.55 -0.06 0.00 1.06 0.00 0.00 176.91 178.64 3llq h ALA 51 N 1.45 0.44 -0.55 6.32 0.00 -0.42 0.12 119.26 126.62 3llq h ALA 51 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3llq h ALA 51 Cb 1.39 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3llq h ALA 51 CO 0.07 0.26 0.32 1.88 0.00 0.00 0.00 179.25 181.79 3llq h TYR 52 N 0.39 0.60 -0.27 0.00 -1.99 -1.26 0.14 116.97 114.58 3llq h TYR 52 Ca 0.08 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.76 3llq h TYR 52 Cb 0.55 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 3llq h TYR 52 CO 0.05 0.33 -0.12 0.00 -0.00 0.00 0.00 178.16 178.41 3llq h ALA 53 N 1.26 0.38 0.00 3.88 0.00 -0.62 -3.39 119.26 120.78 3llq h ALA 53 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3llq h ALA 53 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3llq h ALA 53 CO -0.12 0.25 0.00 1.33 0.00 0.00 0.00 179.25 180.71 3llq n VAL 54 N -4.45 0.00 -0.31 0.00 0.24 0.40 -4.79 118.33 109.41 3llq n VAL 54 Ca -0.04 -0.19 0.23 0.00 -2.04 0.00 0.00 64.34 62.31 3llq n VAL 54 Cb 0.35 1.58 0.53 0.00 -1.47 0.00 0.00 33.84 34.83 3llq n VAL 54 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3llq h GLY 55 N 0.00 1.06 1.76 7.63 0.00 -0.70 0.65 103.07 113.48 3llq h GLY 55 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3llq h GLY 55 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.04 3llq n GLY 56 N -1.50 -1.22 0.10 4.60 0.00 -1.26 -1.32 105.19 104.60 3llq n GLY 56 Ca 0.24 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3llq n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3llq n ILE 57 N -1.38 1.50 0.57 -0.61 5.41 0.20 -4.74 119.36 120.30 3llq n ILE 57 Ca 0.09 -0.01 0.09 0.00 1.00 0.00 0.00 62.75 63.93 3llq n ILE 57 Cb 0.24 -2.19 -0.12 0.00 -0.71 0.00 0.00 39.64 36.85 3llq n ILE 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3llq n SER 58 N -4.43 0.77 0.00 4.38 3.41 -1.08 -4.66 113.62 112.01 3llq n SER 58 Ca -0.26 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 3llq n SER 58 Cb 0.59 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.85 3llq n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3llq n GLY 59 N 1.43 2.85 2.54 5.00 0.00 -0.43 -4.73 105.19 111.85 3llq n GLY 59 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3llq n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 60 N -2.00 -0.09 0.08 -0.02 0.00 -1.24 -4.84 105.19 97.08 3llq n GLY 60 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 3llq n GLY 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3llq h HIS 61 N -1.16 -0.06 -2.31 1.61 3.86 -1.95 -3.47 115.15 111.66 3llq h HIS 61 Ca -0.37 -0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.46 3llq h HIS 61 Cb 1.21 0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.63 3llq h HIS 61 CO 0.27 0.38 -0.42 1.19 0.86 0.00 0.00 177.93 180.22 3llq n PHE 62 N -4.77 -0.68 -3.15 2.45 3.72 -1.26 -4.88 117.46 108.89 3llq n PHE 62 Ca -0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.40 3llq n PHE 62 Cb 0.23 -3.45 -0.02 0.00 -0.94 0.00 0.00 39.48 35.30 3llq n PHE 62 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3llq s ASN 63 N -2.27 -0.24 0.38 4.37 3.84 -1.26 -4.73 114.94 115.02 3llq s ASN 63 Ca 0.00 0.16 0.11 0.00 0.21 0.00 0.00 52.86 53.34 3llq s ASN 63 Cb 0.00 1.20 0.89 0.00 -0.55 0.00 0.00 41.25 42.79 3llq s ASN 63 CO 0.00 -0.04 1.89 -0.65 -2.79 0.00 0.00 177.10 175.51 3llq h PRO 64 N 7.98 0.59 -0.25 0.43 0.11 -1.92 0.10 132.00 139.03 3llq h PRO 64 Ca -0.12 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 3llq h PRO 64 Cb 1.17 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3llq h PRO 64 CO -0.17 0.39 -0.10 0.00 -0.21 0.00 0.00 178.00 177.91 3llq h ALA 65 N 1.61 1.36 -0.06 -0.75 0.00 -1.89 -0.33 119.26 119.20 3llq h ALA 65 Ca 0.41 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3llq h ALA 65 Cb 0.73 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3llq h ALA 65 CO -0.17 0.44 -0.52 0.28 0.00 0.00 0.00 179.25 179.28 3llq h VAL 66 N 0.39 1.40 -0.70 0.00 2.07 -1.18 -1.83 116.25 116.39 3llq h VAL 66 Ca 0.08 -1.91 0.04 0.00 0.82 0.00 0.00 66.70 65.72 3llq h VAL 66 Cb 0.42 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 3llq h VAL 66 CO 0.02 0.56 0.43 0.28 0.02 0.00 0.00 177.57 178.89 3llq h SER 67 N -0.01 0.70 -0.35 0.57 0.02 -0.95 -0.80 113.55 112.73 3llq h SER 67 Ca -0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 3llq h SER 67 Cb 1.19 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3llq h SER 67 CO 0.10 0.48 0.08 0.58 -1.14 0.00 0.00 176.83 176.94 3llq h VAL 68 N 0.84 1.23 -0.66 2.27 2.07 -1.07 -1.75 116.25 119.18 3llq h VAL 68 Ca 0.29 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3llq h VAL 68 Cb 0.05 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3llq h VAL 68 CO -0.12 0.26 0.34 1.23 0.02 0.00 0.00 177.57 179.30 3llq h GLY 69 N 0.42 0.99 1.68 2.17 0.00 -0.97 -0.43 103.07 106.94 3llq h GLY 69 Ca 0.11 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3llq h GLY 69 CO 0.00 0.44 -0.55 1.41 0.00 0.00 0.00 176.54 177.85 3llq h LEU 70 N 0.90 0.37 -0.28 3.11 3.38 -1.08 0.19 115.31 121.91 3llq h LEU 70 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3llq h LEU 70 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3llq h LEU 70 CO -0.03 0.85 0.08 0.74 0.09 0.00 0.00 178.44 180.17 3llq h THR 71 N 0.26 1.20 -0.18 0.22 2.02 -0.84 0.21 112.91 115.80 3llq h THR 71 Ca 0.00 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 3llq h THR 71 Cb 1.04 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3llq h THR 71 CO 0.09 0.21 -0.13 0.58 0.37 0.00 0.00 175.52 176.65 3llq h VAL 72 N 0.29 1.19 -0.00 3.16 2.07 -0.83 -1.42 116.25 120.71 3llq h VAL 72 Ca 0.09 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3llq h VAL 72 Cb 0.25 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3llq h VAL 72 CO -0.00 0.26 -0.04 0.00 0.02 0.00 0.00 177.57 177.81 3llq n ALA 73 N -2.49 2.61 -2.48 1.67 0.00 0.03 -4.88 120.51 114.97 3llq n ALA 73 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 3llq n ALA 73 Cb 0.28 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.30 3llq n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llq n GLY 74 N 1.26 0.38 0.00 0.00 0.00 -0.53 -4.93 105.19 101.37 3llq n GLY 74 Ca 0.15 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.69 3llq n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llq n ARG 75 N -1.59 2.03 -3.76 1.61 5.12 0.70 -5.02 116.66 115.76 3llq n ARG 75 Ca -0.03 -0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.72 3llq n ARG 75 Cb 0.53 -1.16 -0.10 0.00 -1.16 0.00 0.00 32.46 30.58 3llq n ARG 75 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3llq s PHE 76 N -2.41 -0.29 0.01 -1.55 5.36 -1.09 -4.96 117.98 113.05 3llq s PHE 76 Ca 0.01 0.62 -0.25 0.00 -0.96 0.00 0.00 56.93 56.35 3llq s PHE 76 Cb 0.09 0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 42.83 3llq s PHE 76 CO 0.51 -0.27 0.78 -1.25 -1.46 0.00 0.00 175.22 173.53 3llq s PRO 77 N -0.48 4.49 0.61 10.12 0.04 -1.26 -4.14 135.00 144.37 3llq s PRO 77 Ca -0.06 1.07 0.30 0.00 0.04 0.00 0.00 61.00 62.35 3llq s PRO 77 Cb -0.04 -3.40 1.67 0.00 0.04 0.00 0.00 34.50 32.77 3llq s PRO 77 CO 0.02 0.17 2.04 0.00 0.04 0.00 0.00 177.00 179.28 3llq h ALA 78 N 6.13 1.75 0.00 8.56 0.00 -1.98 0.05 119.26 133.78 3llq h ALA 78 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3llq h ALA 78 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3llq h ALA 78 CO 0.73 -0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.26 3llq h SER 79 N 0.00 0.00 0.34 0.00 4.64 -2.03 -2.44 113.55 114.06 3llq h SER 79 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3llq h SER 79 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3llq h SER 79 CO -0.00 0.00 -0.87 -1.20 -0.87 0.00 0.00 176.83 173.89 3llq n SER 80 N -2.76 0.67 0.14 4.97 7.64 0.00 -4.63 113.62 119.66 3llq n SER 80 Ca 0.01 -0.42 -0.16 0.00 1.01 0.00 0.00 58.87 59.32 3llq n SER 80 Cb 0.28 0.69 -0.09 0.00 -1.01 0.00 0.00 64.21 64.08 3llq n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3llq h LEU 81 N 0.00 -1.38 -0.35 -3.43 5.85 -1.45 -1.85 115.31 112.70 3llq h LEU 81 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3llq h LEU 81 Cb 0.60 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3llq h LEU 81 CO 0.00 -0.54 0.13 0.58 -0.34 0.00 0.00 178.44 178.27 3llq h VAL 82 N -0.75 1.20 -1.01 1.05 2.07 -1.82 -0.95 116.25 116.04 3llq h VAL 82 Ca -0.00 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3llq h VAL 82 Cb 0.74 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3llq h VAL 82 CO -0.23 0.22 0.67 -0.65 0.02 0.00 0.00 177.57 177.60 3llq h PRO 83 N 0.42 1.31 0.20 1.57 0.11 -1.84 -1.42 132.00 132.35 3llq h PRO 83 Ca 0.12 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3llq h PRO 83 Cb 0.21 -0.30 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3llq h PRO 83 CO -0.01 0.87 -0.09 1.88 -0.21 0.00 0.00 178.00 180.43 3llq h TYR 84 N 1.35 -0.25 -0.90 0.65 -1.99 -0.78 -1.62 116.97 113.44 3llq h TYR 84 Ca 0.38 -0.01 0.17 0.00 2.00 0.00 0.00 58.73 61.27 3llq h TYR 84 Cb -0.13 0.08 -0.07 0.00 2.00 0.00 0.00 36.73 38.61 3llq h TYR 84 CO -0.00 -0.02 0.58 0.28 -0.00 0.00 0.00 178.16 179.00 3llq h VAL 85 N -0.44 0.76 -0.21 -2.88 2.07 -1.06 0.21 116.25 114.71 3llq h VAL 85 Ca -0.03 -0.20 -0.20 0.00 0.82 0.00 0.00 66.70 67.10 3llq h VAL 85 Cb 0.33 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3llq h VAL 85 CO 0.04 0.10 -0.66 0.40 0.02 0.00 0.00 177.57 177.48 3llq h ILE 86 N 0.57 1.29 -0.52 4.57 2.04 -1.02 -1.69 117.51 122.75 3llq h ILE 86 Ca 0.47 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.38 3llq h ILE 86 Cb 0.92 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 3llq h ILE 86 CO -0.21 0.60 0.04 0.00 0.00 0.00 0.00 178.15 178.58 3llq h ALA 87 N 0.68 1.09 -0.20 1.87 0.00 -0.09 -1.00 119.26 121.61 3llq h ALA 87 Ca -0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3llq h ALA 87 Cb 1.27 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3llq h ALA 87 CO 0.14 0.58 -0.31 1.96 0.00 0.00 0.00 179.25 181.62 3llq h GLN 88 N 0.80 0.55 -0.52 0.00 4.20 -0.58 -0.42 115.11 119.14 3llq h GLN 88 Ca 0.16 -0.34 -0.12 0.00 0.06 0.00 0.00 58.65 58.41 3llq h GLN 88 Cb 0.42 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3llq h GLN 88 CO 0.01 0.94 -0.14 0.28 -0.67 0.00 0.00 178.83 179.25 3llq h VAL 89 N 0.22 1.27 -0.44 -0.54 2.07 -1.29 -1.92 116.25 115.62 3llq h VAL 89 Ca 0.02 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3llq h VAL 89 Cb 0.89 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3llq h VAL 89 CO 0.07 0.46 0.25 0.00 0.02 0.00 0.00 177.57 178.37 3llq h ALA 90 N 0.90 0.56 -0.94 1.67 0.00 -1.03 -1.31 119.26 119.11 3llq h ALA 90 Ca 0.13 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3llq h ALA 90 Cb 0.72 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3llq h ALA 90 CO 0.05 -0.08 0.59 0.78 0.00 0.00 0.00 179.25 180.60 3llq h GLY 91 N 0.50 1.46 0.92 0.00 0.00 -0.90 -0.94 103.07 104.11 3llq h GLY 91 Ca 0.18 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 3llq h GLY 91 CO -0.10 0.26 -0.35 0.00 0.00 0.00 0.00 176.54 176.35 3llq h ALA 92 N 1.46 0.33 -0.67 3.60 0.00 -1.00 -1.25 119.26 121.72 3llq h ALA 92 Ca 0.42 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3llq h ALA 92 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3llq h ALA 92 CO -0.20 0.39 0.25 0.82 0.00 0.00 0.00 179.25 180.52 3llq h ILE 93 N 0.30 1.24 -0.22 0.00 2.04 -1.00 -1.07 117.51 118.81 3llq h ILE 93 Ca 0.02 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 3llq h ILE 93 Cb 0.94 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3llq h ILE 93 CO 0.08 0.31 -0.33 0.58 0.00 0.00 0.00 178.15 178.79 3llq h VAL 94 N 0.96 1.28 -0.21 1.67 2.07 -1.07 -1.75 116.25 119.20 3llq h VAL 94 Ca 0.22 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 3llq h VAL 94 Cb 0.23 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3llq h VAL 94 CO -0.02 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.02 3llq h ALA 95 N 1.26 0.29 -0.56 1.67 0.00 -1.05 -0.22 119.26 120.66 3llq h ALA 95 Ca 0.05 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3llq h ALA 95 Cb 0.76 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3llq h ALA 95 CO 0.06 0.01 0.11 0.00 0.00 0.00 0.00 179.25 179.42 3llq h ALA 96 N 0.80 0.64 -0.64 0.00 0.00 -1.11 0.12 119.26 119.07 3llq h ALA 96 Ca 0.06 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3llq h ALA 96 Cb 0.39 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3llq h ALA 96 CO 0.01 -0.31 0.22 0.00 0.00 0.00 0.00 179.25 179.17 3llq h ALA 97 N 1.45 0.83 -0.41 0.00 0.00 -1.17 -0.74 119.26 119.21 3llq h ALA 97 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3llq h ALA 97 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3llq h ALA 97 CO -0.38 0.48 0.12 0.00 0.00 0.00 0.00 179.25 179.47 3llq h ALA 98 N 1.09 0.54 -0.67 0.00 0.00 -0.31 -0.87 119.26 119.04 3llq h ALA 98 Ca 0.21 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3llq h ALA 98 Cb 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3llq h ALA 98 CO -0.01 0.20 0.41 -0.07 0.00 0.00 0.00 179.25 179.78 3llq h LEU 99 N 0.53 0.67 -0.22 0.00 3.38 -0.60 -1.91 115.31 117.16 3llq h LEU 99 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3llq h LEU 99 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3llq h LEU 99 CO -0.00 0.46 0.13 0.22 0.09 0.00 0.00 178.44 179.34 3llq h TYR 100 N 0.80 0.29 -0.46 1.13 3.20 -0.56 -0.24 116.97 121.13 3llq h TYR 100 Ca 0.27 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3llq h TYR 100 Cb 0.04 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3llq h TYR 100 CO -0.05 0.24 0.24 0.28 -1.64 0.00 0.00 178.16 177.23 3llq h VAL 101 N 0.26 0.97 -0.63 1.81 2.07 -0.94 -1.07 116.25 118.72 3llq h VAL 101 Ca 0.08 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3llq h VAL 101 Cb 0.04 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3llq h VAL 101 CO -0.01 0.09 0.07 0.40 0.02 0.00 0.00 177.57 178.13 3llq h ILE 102 N 0.47 1.26 -0.24 4.57 2.04 -1.05 -2.46 117.51 122.10 3llq h ILE 102 Ca 0.20 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 3llq h ILE 102 Cb 0.10 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3llq h ILE 102 CO -0.14 0.39 -0.04 0.00 0.00 0.00 0.00 178.15 178.37 3llq h ALA 103 N 1.08 1.49 0.00 1.87 0.00 -0.58 -2.22 119.26 120.91 3llq h ALA 103 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3llq h ALA 103 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3llq h ALA 103 CO 0.02 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.88 3llq n THR 104 N -4.31 1.13 1.96 0.00 -2.24 -0.45 -1.19 114.28 109.18 3llq n THR 104 Ca 0.00 0.70 0.08 0.00 -2.27 0.00 0.00 64.05 62.56 3llq n THR 104 Cb 0.23 -1.69 0.45 0.00 -2.10 0.00 0.00 70.33 67.22 3llq n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3llq n GLY 105 N -1.27 -0.98 2.73 3.38 0.00 -0.84 -4.03 105.19 104.19 3llq n GLY 105 Ca -0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3llq n GLY 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3llq s LYS 106 N -2.00 1.79 0.64 1.61 2.20 -0.33 -5.12 119.74 118.53 3llq s LYS 106 Ca 0.23 -2.71 -0.14 0.00 -0.36 0.00 0.00 55.97 52.99 3llq s LYS 106 Cb 0.10 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.74 3llq s LYS 106 CO 0.18 -1.28 1.08 0.00 -0.36 0.00 0.00 175.35 174.97 3llq s ALA 107 N -0.62 2.60 0.00 3.13 0.00 -1.26 -3.77 121.76 121.84 3llq s ALA 107 Ca 0.25 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3llq s ALA 107 Cb -0.08 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3llq s ALA 107 CO -0.13 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3llq n GLY 108 N -0.98 0.54 3.85 0.00 0.00 -1.26 -5.02 105.19 102.32 3llq n GLY 108 Ca 0.09 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3llq n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3llq s ILE 109 N -2.00 4.94 -0.37 -0.61 -1.09 -1.25 -5.06 121.20 115.76 3llq s ILE 109 Ca 0.00 0.72 -0.19 0.00 -2.23 0.00 0.00 60.65 58.94 3llq s ILE 109 Cb 0.00 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 3llq s ILE 109 CO 0.00 0.29 0.58 -0.62 -1.23 0.00 0.00 174.94 173.96 3llq s ASP 110 N -1.68 6.35 0.00 3.58 -1.08 -1.26 -4.93 116.67 117.65 3llq s ASP 110 Ca 0.35 -0.06 0.30 0.00 -0.52 0.00 0.00 52.55 52.63 3llq s ASP 110 Cb -0.15 -2.30 1.55 0.00 -1.46 0.00 0.00 42.92 40.57 3llq s ASP 110 CO 0.18 -0.59 2.07 0.18 0.52 0.00 0.00 175.17 177.54 3llq n LEU 111 N 5.95 0.00 0.00 -1.34 4.77 -1.26 -5.00 117.00 120.13 3llq n LEU 111 Ca -0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3llq n LEU 111 Cb 0.48 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3llq n LEU 111 CO 0.48 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3llq n GLY 112 N 1.26 3.47 0.00 -0.72 0.00 -1.26 -0.11 105.19 107.83 3llq n GLY 112 Ca 0.15 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3llq n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 113 N 0.00 -0.99 3.92 -0.02 0.00 -1.26 -4.92 105.19 101.92 3llq n GLY 113 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3llq n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3llq n PHE 114 N -1.10 -2.05 -1.32 1.61 7.35 0.84 -0.25 117.46 122.53 3llq n PHE 114 Ca 0.18 0.86 -0.12 0.00 -0.76 0.00 0.00 57.45 57.61 3llq n PHE 114 Cb 0.14 -3.88 -0.05 0.00 0.35 0.00 0.00 39.48 36.04 3llq n PHE 114 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3llq n ALA 115 N -4.52 -0.18 -1.66 3.13 0.00 -1.26 -4.83 120.51 111.19 3llq n ALA 115 Ca -0.07 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 3llq n ALA 115 Cb 0.57 -1.73 0.06 0.00 0.00 0.00 0.00 19.45 18.36 3llq n ALA 115 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3llq s SER 116 N -2.34 4.66 0.37 0.00 0.01 0.66 -4.98 113.70 112.08 3llq s SER 116 Ca 0.00 2.52 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 3llq s SER 116 Cb 0.00 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 3llq s SER 116 CO 0.00 -1.96 0.83 0.20 0.41 0.00 0.00 173.24 172.72 3llq s ASN 117 N -1.56 6.85 0.35 2.44 -0.87 -1.26 -4.87 114.94 116.02 3llq s ASN 117 Ca 0.80 1.47 -0.17 0.00 -1.57 0.00 0.00 52.86 53.39 3llq s ASN 117 Cb -0.34 -2.45 0.06 0.00 -0.02 0.00 0.00 41.25 38.50 3llq s ASN 117 CO 0.39 -0.28 0.84 -0.83 -2.57 0.00 0.00 177.10 174.66 3llq s GLY 118 N -2.23 0.35 0.20 0.66 0.00 -1.05 -4.90 107.32 100.35 3llq s GLY 118 Ca 0.58 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 3llq s GLY 118 CO 0.15 0.25 0.24 -2.52 0.00 0.00 0.00 173.10 171.23 3llq s TYR 119 N -2.18 0.77 0.00 1.90 -0.85 -1.25 -3.88 117.35 111.87 3llq s TYR 119 Ca 0.17 -1.08 0.00 0.00 -0.52 0.00 0.00 57.07 55.64 3llq s TYR 119 Cb -0.05 -0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.03 3llq s TYR 119 CO 0.10 -0.73 0.00 0.41 -1.52 0.00 0.00 175.55 173.81 3llq n GLY 120 N -0.27 4.10 0.32 5.49 0.00 0.66 -0.77 105.19 114.73 3llq n GLY 120 Ca -0.02 0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.28 3llq n GLY 120 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3llq h GLU 121 N 0.00 0.00 -0.33 1.61 5.08 -1.90 -2.36 114.58 116.67 3llq h GLU 121 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3llq h GLU 121 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3llq h GLU 121 CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 3llq n HIS 122 N -3.33 0.42 -2.58 4.33 8.25 0.05 -4.82 115.22 117.55 3llq n HIS 122 Ca -0.03 -0.22 -0.43 0.00 -0.26 0.00 0.00 57.72 56.79 3llq n HIS 122 Cb 0.08 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 3llq n HIS 122 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3llq s SER 123 N -1.53 7.13 0.48 0.41 0.15 -0.89 -3.90 113.70 115.56 3llq s SER 123 Ca 0.36 1.63 0.28 0.00 0.70 0.00 0.00 55.95 58.92 3llq s SER 123 Cb 0.22 -2.55 1.35 0.00 -1.71 0.00 0.00 66.02 63.33 3llq s SER 123 CO 0.31 -0.55 1.79 -0.65 1.20 0.00 0.00 173.24 175.34 3llq h PRO 124 N 7.36 0.17 -0.52 5.44 0.11 -1.77 0.22 132.00 143.01 3llq h PRO 124 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3llq h PRO 124 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3llq h PRO 124 CO 0.89 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 3llq n GLY 125 N -1.63 2.47 2.10 -0.55 0.00 -0.45 -4.98 105.19 102.16 3llq n GLY 125 Ca 0.25 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 3llq n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 126 N 1.11 0.54 3.79 -0.02 0.00 0.07 -5.02 105.19 105.66 3llq n GLY 126 Ca 0.18 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3llq n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3llq s TYR 127 N -2.16 3.25 0.85 1.61 2.02 -1.26 -4.77 117.35 116.88 3llq s TYR 127 Ca 0.00 1.64 -0.12 0.00 -0.37 0.00 0.00 57.07 58.22 3llq s TYR 127 Cb 0.00 -3.06 0.10 0.00 -0.40 0.00 0.00 41.96 38.60 3llq s TYR 127 CO 0.00 -0.53 1.10 -1.54 -1.57 0.00 0.00 175.55 173.00 3llq s SER 128 N -1.75 3.95 0.25 2.29 1.04 -1.26 -0.24 113.70 117.97 3llq s SER 128 Ca 0.60 1.35 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 3llq s SER 128 Cb -0.19 -2.05 0.47 0.00 0.10 0.00 0.00 66.02 64.35 3llq s SER 128 CO 0.23 -2.32 1.71 0.25 0.98 0.00 0.00 173.24 174.09 3llq h LEU 129 N -1.33 0.17 -0.81 2.42 6.46 -1.95 -0.52 115.31 119.75 3llq h LEU 129 Ca -0.48 0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.34 3llq h LEU 129 Cb 1.28 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.31 3llq h LEU 129 CO 0.57 0.04 0.21 0.58 -0.62 0.00 0.00 178.44 179.23 3llq h VAL 130 N 0.37 1.26 -0.34 1.05 2.07 -1.99 0.26 116.25 118.93 3llq h VAL 130 Ca 0.42 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3llq h VAL 130 Cb 0.68 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3llq h VAL 130 CO -0.45 0.35 0.15 0.28 0.02 0.00 0.00 177.57 177.92 3llq h SER 131 N 1.06 0.45 -0.43 0.57 0.02 -1.74 -0.58 113.55 112.90 3llq h SER 131 Ca 0.23 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3llq h SER 131 Cb 0.31 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3llq h SER 131 CO -0.01 0.47 0.18 0.00 -1.14 0.00 0.00 176.83 176.34 3llq h ALA 132 N 1.00 0.52 -0.10 3.77 0.00 -0.78 -1.76 119.26 121.92 3llq h ALA 132 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3llq h ALA 132 Cb 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3llq h ALA 132 CO -0.01 -0.19 0.04 1.25 0.00 0.00 0.00 179.25 180.34 3llq h LEU 133 N 0.38 0.13 -0.52 0.00 5.85 -0.82 -1.74 115.31 118.59 3llq h LEU 133 Ca 0.19 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3llq h LEU 133 Cb 0.14 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3llq h LEU 133 CO -0.16 0.24 0.34 -0.07 -0.34 0.00 0.00 178.44 178.45 3llq h LEU 134 N 0.02 0.59 -0.17 2.25 3.38 -0.99 -2.09 115.31 118.30 3llq h LEU 134 Ca 0.03 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 3llq h LEU 134 Cb 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3llq h LEU 134 CO -0.00 0.43 -0.95 -0.29 0.09 0.00 0.00 178.44 177.71 3llq h ILE 135 N 0.70 1.43 -0.31 1.22 2.10 -1.24 -1.29 117.51 120.12 3llq h ILE 135 Ca 0.19 -2.54 -0.09 0.00 1.08 0.00 0.00 64.86 63.51 3llq h ILE 135 Cb -0.08 2.47 -0.02 0.00 -1.09 0.00 0.00 36.82 38.11 3llq h ILE 135 CO -0.04 0.75 -0.16 -0.33 -1.08 0.00 0.00 178.15 177.28 3llq h GLU 136 N 0.19 0.56 -0.15 2.19 4.39 -1.31 0.68 114.58 121.13 3llq h GLU 136 Ca -0.08 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 3llq h GLU 136 Cb 1.59 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3llq h GLU 136 CO 0.16 0.71 -0.08 0.82 -1.16 0.00 0.00 179.01 179.46 3llq h ILE 137 N 0.51 1.31 -0.32 3.13 2.04 -1.14 -2.09 117.51 120.96 3llq h ILE 137 Ca 0.09 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.73 3llq h ILE 137 Cb 0.58 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3llq h ILE 137 CO 0.04 0.33 -0.16 0.40 0.00 0.00 0.00 178.15 178.76 3llq h ILE 138 N -0.01 1.29 -0.48 -0.67 2.04 -1.12 -1.94 117.51 116.62 3llq h ILE 138 Ca 0.03 -1.27 -0.08 0.00 1.00 0.00 0.00 64.86 64.54 3llq h ILE 138 Cb 0.55 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3llq h ILE 138 CO 0.02 0.41 -0.02 -0.07 0.00 0.00 0.00 178.15 178.49 3llq h LEU 139 N 0.43 0.85 -0.55 1.44 3.38 -0.89 -1.58 115.31 118.40 3llq h LEU 139 Ca 0.07 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3llq h LEU 139 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3llq h LEU 139 CO 0.05 0.96 -0.34 0.74 0.09 0.00 0.00 178.44 179.94 3llq h THR 140 N 0.71 1.28 -0.03 0.22 2.02 -1.40 -1.28 112.91 114.43 3llq h THR 140 Ca 0.13 -1.50 0.02 0.00 0.77 0.00 0.00 66.41 65.84 3llq h THR 140 Cb 0.54 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3llq h THR 140 CO 0.03 0.49 -0.12 0.00 0.37 0.00 0.00 175.52 176.29 3llq h ALA 141 N 0.94 -0.11 -0.23 6.16 0.00 -1.13 -0.81 119.26 124.08 3llq h ALA 141 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3llq h ALA 141 Cb 0.89 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3llq h ALA 141 CO 0.08 -0.60 0.00 0.74 0.00 0.00 0.00 179.25 179.47 3llq h PHE 142 N -0.19 0.35 -0.44 0.00 -1.00 -1.15 -1.15 116.94 113.35 3llq h PHE 142 Ca 0.06 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.85 3llq h PHE 142 Cb 0.26 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 3llq h PHE 142 CO -0.20 0.36 0.22 0.35 -1.61 0.00 0.00 178.31 177.43 3llq h PHE 143 N 0.34 0.41 -0.73 -0.55 3.57 -0.90 0.01 116.94 119.09 3llq h PHE 143 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3llq h PHE 143 Cb 0.23 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3llq h PHE 143 CO 0.01 0.21 0.31 -0.07 -2.23 0.00 0.00 178.31 176.54 3llq h LEU 144 N 0.45 0.98 -0.42 0.59 4.07 -0.60 1.00 115.31 121.38 3llq h LEU 144 Ca 0.19 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 3llq h LEU 144 Cb 0.09 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3llq h LEU 144 CO -0.13 0.86 -0.16 0.40 -1.08 0.00 0.00 178.44 178.33 3llq h ILE 145 N 1.06 1.28 -0.49 1.22 2.04 -0.61 0.15 117.51 122.15 3llq h ILE 145 Ca 0.25 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 3llq h ILE 145 Cb 0.17 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3llq h ILE 145 CO -0.03 0.44 0.17 0.58 0.00 0.00 0.00 178.15 179.31 3llq h VAL 146 N 0.68 1.22 -0.47 1.67 2.07 -0.71 -0.97 116.25 119.74 3llq h VAL 146 Ca 0.10 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3llq h VAL 146 Cb 0.72 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3llq h VAL 146 CO 0.05 0.27 0.29 0.40 0.02 0.00 0.00 177.57 178.60 3llq h ILE 147 N 0.65 1.14 -0.42 4.57 2.04 -0.57 -0.59 117.51 124.34 3llq h ILE 147 Ca 0.16 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 3llq h ILE 147 Cb 0.25 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3llq h ILE 147 CO -0.01 0.14 -0.31 -0.07 0.00 0.00 0.00 178.15 177.91 3llq h LEU 148 N 0.63 0.99 -0.10 1.44 3.38 -0.65 -2.60 115.31 118.41 3llq h LEU 148 Ca 0.17 -0.44 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 3llq h LEU 148 Cb -0.02 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.46 3llq h LEU 148 CO -0.03 1.22 -0.99 1.23 0.09 0.00 0.00 178.44 179.96 3llq h GLY 149 N 0.78 0.59 2.00 0.83 0.00 -1.11 -2.87 103.07 103.28 3llq h GLY 149 Ca 0.08 -1.03 -0.11 0.00 0.00 0.00 0.00 47.33 46.26 3llq h GLY 149 CO 0.08 0.91 -0.53 1.48 0.00 0.00 0.00 176.54 178.48 3llq h SER 150 N 0.29 0.00 -0.21 0.19 4.64 -1.08 -2.36 113.55 115.03 3llq h SER 150 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3llq h SER 150 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3llq h SER 150 CO 0.18 0.53 0.00 0.35 -0.87 0.00 0.00 176.83 177.02 3llq n THR 151 N -3.45 0.27 -1.64 2.95 -2.24 -0.98 -4.35 114.28 104.84 3llq n THR 151 Ca 0.00 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 3llq n THR 151 Cb 0.65 0.37 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 3llq n THR 151 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3llq s HIS 152 N -1.73 2.86 -0.27 4.78 2.46 -0.89 -4.92 115.29 117.58 3llq s HIS 152 Ca 0.31 1.50 0.27 0.00 0.47 0.00 0.00 55.06 57.61 3llq s HIS 152 Cb 0.17 -3.00 1.14 0.00 -0.13 0.00 0.00 32.58 30.76 3llq s HIS 152 CO 0.25 -1.43 1.80 0.78 -2.47 0.00 0.00 174.74 173.67 3llq h GLY 153 N -0.40 0.00 1.34 1.59 0.00 -1.92 -2.15 103.07 101.53 3llq h GLY 153 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3llq h GLY 153 CO 0.55 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.13 3llq n ARG 154 N -2.49 0.57 -4.89 4.80 1.85 -1.26 -4.74 116.66 110.50 3llq n ARG 154 Ca 0.01 0.02 -0.33 0.00 -1.00 0.00 0.00 57.85 56.56 3llq n ARG 154 Cb 0.23 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.00 3llq n ARG 154 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3llq s VAL 155 N -2.34 2.99 0.44 8.89 1.01 -0.81 -5.10 120.40 125.48 3llq s VAL 155 Ca 0.31 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 3llq s VAL 155 Cb 0.18 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 3llq s VAL 155 CO 0.37 0.57 1.25 -2.84 0.00 0.00 0.00 175.10 174.45 3llq s PRO 156 N -0.42 3.81 0.28 2.72 0.02 -1.26 -4.83 135.00 135.31 3llq s PRO 156 Ca 0.05 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.79 3llq s PRO 156 Cb -0.12 -2.58 -0.14 0.00 0.02 0.00 0.00 34.50 31.68 3llq s PRO 156 CO 0.02 -0.57 1.12 0.00 -0.33 0.00 0.00 177.00 177.24 3llq n ALA 157 N -0.20 0.12 0.00 -1.55 0.00 -1.26 -3.37 120.51 114.24 3llq n ALA 157 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3llq n ALA 157 Cb 0.45 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3llq n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3llq n GLY 158 N 1.34 2.87 0.14 0.00 0.00 -1.26 -4.92 105.19 103.36 3llq n GLY 158 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3llq n GLY 158 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3llq h PHE 159 N 0.00 0.00 -0.77 1.61 0.04 -1.90 -3.39 116.94 112.53 3llq h PHE 159 Ca 0.00 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.93 3llq h PHE 159 Cb 0.00 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.05 3llq h PHE 159 CO 0.00 0.01 0.27 0.00 -0.60 0.00 0.00 178.31 177.99 3llq h ALA 160 N 1.99 1.08 -0.45 2.45 0.00 -1.83 -1.94 119.26 120.55 3llq h ALA 160 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3llq h ALA 160 Cb 1.01 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3llq h ALA 160 CO 0.00 -0.27 0.29 -1.35 0.00 0.00 0.00 179.25 177.91 3llq h PRO 161 N 0.38 0.60 -0.10 0.00 0.11 -1.90 0.12 132.00 131.21 3llq h PRO 161 Ca 0.44 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.39 3llq h PRO 161 Cb 0.72 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3llq h PRO 161 CO -0.46 0.41 -0.39 0.82 -0.21 0.00 0.00 178.00 178.17 3llq h ILE 162 N 0.62 1.39 -0.30 4.15 2.04 -1.64 -0.21 117.51 123.55 3llq h ILE 162 Ca 0.16 -1.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 3llq h ILE 162 Cb -0.05 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3llq h ILE 162 CO -0.03 0.51 0.06 0.00 0.00 0.00 0.00 178.15 178.69 3llq h ALA 163 N 0.48 0.39 -0.10 1.87 0.00 -1.01 -1.75 119.26 119.14 3llq h ALA 163 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3llq h ALA 163 Cb 1.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3llq h ALA 163 CO 0.08 0.07 -0.03 0.82 0.00 0.00 0.00 179.25 180.19 3llq h ILE 164 N 0.32 1.30 -0.55 0.00 1.08 -0.86 -0.77 117.51 118.02 3llq h ILE 164 Ca 0.09 -0.98 -0.10 0.00 -0.39 0.00 0.00 64.86 63.48 3llq h ILE 164 Cb 0.31 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 3llq h ILE 164 CO 0.00 0.28 -0.06 1.23 -0.69 0.00 0.00 178.15 178.91 3llq h GLY 165 N -0.14 1.07 2.00 5.37 0.00 -1.08 -2.03 103.07 108.27 3llq h GLY 165 Ca 0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.47 3llq h GLY 165 CO 0.01 0.75 -0.32 1.41 0.00 0.00 0.00 176.54 178.39 3llq h LEU 166 N 0.89 0.00 -0.67 3.11 3.38 -1.32 -2.31 115.31 118.40 3llq h LEU 166 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3llq h LEU 166 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3llq h LEU 166 CO 0.04 0.32 -0.29 0.00 0.09 0.00 0.00 178.44 178.60 3llq h ALA 167 N 1.68 0.85 -0.26 1.53 0.00 -0.76 -1.27 119.26 121.02 3llq h ALA 167 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3llq h ALA 167 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3llq h ALA 167 CO 0.04 0.64 -0.20 1.25 0.00 0.00 0.00 179.25 180.98 3llq h LEU 168 N 0.61 0.47 -0.35 0.00 5.85 -0.85 0.10 115.31 121.14 3llq h LEU 168 Ca 0.07 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3llq h LEU 168 Cb 0.81 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3llq h LEU 168 CO 0.07 0.69 0.04 0.74 -0.34 0.00 0.00 178.44 179.63 3llq h THR 169 N 0.43 1.24 -0.46 1.05 2.02 -0.97 -2.35 112.91 113.87 3llq h THR 169 Ca 0.07 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.40 3llq h THR 169 Cb 0.60 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3llq h THR 169 CO 0.04 0.29 0.25 0.25 0.37 0.00 0.00 175.52 176.72 3llq h LEU 170 N 0.42 0.38 -1.30 2.58 5.85 -0.83 -0.21 115.31 122.19 3llq h LEU 170 Ca 0.10 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3llq h LEU 170 Cb 0.39 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3llq h LEU 170 CO 0.01 0.27 0.48 0.40 -0.34 0.00 0.00 178.44 179.26 3llq h ILE 171 N 0.50 1.15 -0.08 4.05 2.04 -0.79 -0.89 117.51 123.49 3llq h ILE 171 Ca 0.20 -0.32 -0.18 0.00 1.00 0.00 0.00 64.86 65.55 3llq h ILE 171 Cb 0.07 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3llq h ILE 171 CO -0.12 0.17 -0.72 0.45 0.00 0.00 0.00 178.15 177.93 3llq h HIS 172 N 0.94 0.54 -0.77 1.37 3.86 -0.75 -2.38 115.15 117.96 3llq h HIS 172 Ca 0.28 -0.24 0.08 0.00 -1.16 0.00 0.00 60.37 59.34 3llq h HIS 172 Cb -0.04 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 3llq h HIS 172 CO -0.00 0.99 0.50 -0.07 0.86 0.00 0.00 177.93 180.21 3llq h LEU 173 N 0.27 0.67 0.03 2.43 3.38 0.28 -2.33 115.31 120.04 3llq h LEU 173 Ca -0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3llq h LEU 173 Cb 1.29 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.93 3llq h LEU 173 CO 0.12 0.41 -0.61 0.40 0.09 0.00 0.00 178.44 178.85 3llq h ILE 174 N 0.75 1.46 -0.00 1.22 2.04 -1.25 -3.43 117.51 118.30 3llq h ILE 174 Ca 0.35 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3llq h ILE 174 Cb 0.37 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3llq h ILE 174 CO -0.13 0.62 -0.01 -1.54 0.00 0.00 0.00 178.15 177.09 3llq n SER 175 N -4.23 0.98 -0.24 1.72 3.41 -0.90 -4.61 113.62 109.75 3llq n SER 175 Ca -0.11 -0.99 0.02 0.00 -0.26 0.00 0.00 58.87 57.54 3llq n SER 175 Cb 0.69 0.17 0.15 0.00 -0.26 0.00 0.00 64.21 64.96 3llq n SER 175 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3llq h ILE 176 N 0.31 0.76 -0.09 -1.33 2.04 -1.65 0.11 117.51 117.67 3llq h ILE 176 Ca 0.00 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3llq h ILE 176 Cb 0.07 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3llq h ILE 176 CO 0.00 0.09 0.13 -0.65 0.00 0.00 0.00 178.15 177.72 3llq h PRO 177 N 0.50 0.00 0.00 2.37 0.11 -1.86 0.17 132.00 133.29 3llq h PRO 177 Ca 0.36 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.29 3llq h PRO 177 Cb 0.47 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 3llq h PRO 177 CO -0.33 0.00 -1.04 0.28 -0.21 0.00 0.00 178.00 176.70 3llq h VAL 178 N 0.00 0.88 0.00 3.15 2.07 -1.09 -1.18 116.25 120.08 3llq h VAL 178 Ca 0.04 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3llq h VAL 178 Cb 0.30 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3llq h VAL 178 CO -0.00 0.30 0.00 0.35 0.02 0.00 0.00 177.57 178.24 3llq n THR 179 N -4.48 0.35 -0.72 2.57 -2.24 -0.87 -4.42 114.28 104.48 3llq n THR 179 Ca -0.27 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3llq n THR 179 Cb 0.61 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3llq n THR 179 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3llq n ASN 180 N -0.17 -0.10 -1.89 3.42 5.03 0.59 -2.53 115.26 119.62 3llq n ASN 180 Ca 0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 3llq n ASN 180 Cb 0.29 -1.46 -0.02 0.00 -1.02 0.00 0.00 39.78 37.58 3llq n ASN 180 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3llq n THR 181 N -2.01 -7.58 0.00 3.41 -1.04 -1.25 -4.72 114.28 101.09 3llq n THR 181 Ca 0.00 1.37 0.00 0.00 -2.04 0.00 0.00 64.05 63.38 3llq n THR 181 Cb 0.01 -4.78 0.00 0.00 -1.82 0.00 0.00 70.33 63.73 3llq n THR 181 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3llq n SER 182 N 0.82 0.00 -1.73 8.00 2.88 -1.26 -4.94 113.62 117.39 3llq n SER 182 Ca -0.14 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3llq n SER 182 Cb 0.21 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 3llq n SER 182 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3llq n VAL 183 N -2.32 0.00 -3.12 2.46 0.24 -1.26 -4.82 118.33 109.50 3llq n VAL 183 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3llq n VAL 183 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3llq n VAL 183 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3llq s ASN 184 N -1.45 -0.78 0.32 -1.34 3.84 -1.26 -4.82 114.94 109.45 3llq s ASN 184 Ca 0.00 0.04 0.03 0.00 0.21 0.00 0.00 52.86 53.14 3llq s ASN 184 Cb 0.00 1.43 0.56 0.00 -0.55 0.00 0.00 41.25 42.69 3llq s ASN 184 CO 0.00 -0.14 1.86 -0.65 -2.79 0.00 0.00 177.10 175.39 3llq h PRO 185 N 7.29 0.58 -0.52 0.43 0.11 -1.88 -2.45 132.00 135.57 3llq h PRO 185 Ca -0.06 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 65.82 3llq h PRO 185 Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3llq h PRO 185 CO -0.02 0.59 -0.08 0.00 -0.21 0.00 0.00 178.00 178.28 3llq h ALA 186 N 1.47 0.87 -0.61 -0.75 0.00 -1.91 -2.19 119.26 116.14 3llq h ALA 186 Ca 0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3llq h ALA 186 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3llq h ALA 186 CO 0.01 0.65 0.16 -0.09 0.00 0.00 0.00 179.25 179.98 3llq h ARG 187 N 0.85 0.94 -0.14 0.00 1.12 -1.79 -2.67 114.38 112.69 3llq h ARG 187 Ca 0.14 -0.20 -0.13 0.00 -1.11 0.00 0.00 59.98 58.69 3llq h ARG 187 Cb 0.61 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 3llq h ARG 187 CO 0.04 0.83 -0.48 0.77 -3.11 0.00 0.00 179.97 178.02 3llq h SER 188 N 0.91 0.40 -0.02 -3.80 0.02 -1.39 -3.36 113.55 106.30 3llq h SER 188 Ca 0.20 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3llq h SER 188 Cb 0.30 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 3llq h SER 188 CO -0.00 0.81 -0.02 0.74 -1.14 0.00 0.00 176.83 177.22 3llq h THR 189 N 0.29 1.37 -0.10 -2.27 2.02 -1.04 -2.86 112.91 110.32 3llq h THR 189 Ca 0.02 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.11 3llq h THR 189 Cb 0.95 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 3llq h THR 189 CO 0.08 0.29 -0.03 1.23 0.37 0.00 0.00 175.52 177.47 3llq h GLY 190 N -0.40 0.07 0.87 2.16 0.00 -1.68 -1.81 103.07 102.28 3llq h GLY 190 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.39 3llq h GLY 190 CO 0.00 -0.04 0.24 1.46 0.00 0.00 0.00 176.54 178.20 3llq h GLN 191 N -0.01 0.47 -0.06 4.80 1.08 -1.72 -2.97 115.11 116.70 3llq h GLN 191 Ca 0.05 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 3llq h GLN 191 Cb 0.08 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3llq h GLN 191 CO -0.11 0.31 -0.39 0.00 -0.95 0.00 0.00 178.83 177.70 3llq h ALA 192 N 1.20 1.24 0.00 3.87 0.00 -1.24 -1.11 119.26 123.22 3llq h ALA 192 Ca 0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3llq h ALA 192 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3llq h ALA 192 CO -0.09 0.54 -0.24 -0.07 0.00 0.00 0.00 179.25 179.39 3llq h LEU 193 N 0.11 0.00 0.08 0.00 3.38 -1.18 0.75 115.31 118.46 3llq h LEU 193 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 3llq h LEU 193 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3llq h LEU 193 CO 0.06 0.24 -1.53 -0.26 0.09 0.00 0.00 178.44 177.04 3llq h PHE 194 N 0.00 0.32 -0.04 1.13 0.04 -1.18 -3.32 116.94 113.88 3llq h PHE 194 Ca -0.00 -0.23 -0.21 0.00 2.80 0.00 0.00 57.97 60.33 3llq h PHE 194 Cb 0.61 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3llq h PHE 194 CO 0.00 1.29 -0.85 0.28 -0.60 0.00 0.00 178.31 178.43 3llq h VAL 195 N 0.05 1.39 -0.60 -0.55 2.07 -1.16 -3.49 116.25 113.96 3llq h VAL 195 Ca -0.23 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3llq h VAL 195 Cb 1.99 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 3llq h VAL 195 CO 0.14 0.69 0.00 0.61 0.02 0.00 0.00 177.57 179.03 3llq n GLY 196 N 0.78 0.78 7.00 2.17 0.00 0.24 -4.86 105.19 111.30 3llq n GLY 196 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3llq n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llq n GLY 197 N 0.00 3.01 0.32 -0.02 0.00 -1.26 -1.81 105.19 105.44 3llq n GLY 197 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3llq n GLY 197 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3llq h TRP 198 N 0.00 0.12 -0.29 1.61 5.08 -1.97 -1.43 115.95 119.06 3llq h TRP 198 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.83 3llq h TRP 198 Cb 0.00 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 26.11 3llq h TRP 198 CO 0.00 0.06 -0.41 0.00 -1.28 0.00 0.00 178.44 176.81 3llq h ALA 199 N 1.84 0.72 -0.06 0.11 0.00 -1.67 0.12 119.26 120.32 3llq h ALA 199 Ca 0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3llq h ALA 199 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3llq h ALA 199 CO -0.02 0.66 -0.68 -0.07 0.00 0.00 0.00 179.25 179.15 3llq h LEU 200 N 0.59 0.32 -0.69 0.00 3.38 -1.37 -2.38 115.31 115.16 3llq h LEU 200 Ca 0.05 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3llq h LEU 200 Cb 0.96 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3llq h LEU 200 CO 0.09 0.90 -0.57 -0.61 0.09 0.00 0.00 178.44 178.34 3llq h GLN 201 N 0.19 0.26 -0.01 1.13 4.15 -0.89 -2.89 115.11 117.06 3llq h GLN 201 Ca -0.02 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.23 3llq h GLN 201 Cb 1.23 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3llq h GLN 201 CO 0.11 0.76 -0.36 1.04 -1.93 0.00 0.00 178.83 178.45 3llq n GLN 202 N -3.90 0.81 -0.06 1.69 6.02 0.38 -4.38 117.38 117.93 3llq n GLN 202 Ca -0.02 -0.54 0.10 0.00 -0.01 0.00 0.00 57.00 56.53 3llq n GLN 202 Cb 0.59 -1.49 0.48 0.00 1.02 0.00 0.00 30.24 30.85 3llq n GLN 202 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3llq h LEU 203 N 1.31 0.40 -1.17 1.08 5.85 -1.20 -1.95 115.31 119.63 3llq h LEU 203 Ca 0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.98 3llq h LEU 203 Cb 0.56 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 3llq h LEU 203 CO 0.00 0.25 0.63 4.11 -0.34 0.00 0.00 178.44 183.10 3llq h TRP 204 N 0.45 0.85 0.00 1.25 5.08 -1.78 0.13 115.95 121.93 3llq h TRP 204 Ca 0.25 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.19 3llq h TRP 204 Cb 0.39 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 26.29 3llq h TRP 204 CO -0.00 0.06 -0.28 1.25 -1.28 0.00 0.00 178.44 178.19 3llq h LEU 205 N 0.49 0.00 -1.81 0.11 5.85 -1.69 -0.82 115.31 117.44 3llq h LEU 205 Ca 0.63 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.35 3llq h LEU 205 Cb 1.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3llq h LEU 205 CO -0.39 0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.48 3llq n PHE 206 N -4.00 0.42 -0.10 1.25 3.72 0.42 -1.34 117.46 117.83 3llq n PHE 206 Ca -0.02 -0.21 -0.19 0.00 -0.05 0.00 0.00 57.45 56.98 3llq n PHE 206 Cb 0.35 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.80 3llq n PHE 206 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3llq n TRP 207 N 1.00 0.71 0.10 1.38 7.02 -0.91 -3.58 117.44 123.15 3llq n TRP 207 Ca 0.18 0.31 -0.13 0.00 -1.02 0.00 0.00 57.50 56.83 3llq n TRP 207 Cb 0.48 -0.97 -0.08 0.00 -2.42 0.00 0.00 31.31 28.33 3llq n TRP 207 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3llq h LEU 208 N -1.00 -0.15 -0.11 -0.99 5.85 -1.14 -2.77 115.31 115.01 3llq h LEU 208 Ca -0.33 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3llq h LEU 208 Cb 1.19 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3llq h LEU 208 CO -0.20 -0.08 -0.05 0.00 -0.34 0.00 0.00 178.44 177.77 3llq h ALA 209 N 0.66 0.15 -0.60 1.25 0.00 -1.46 -0.29 119.26 118.98 3llq h ALA 209 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3llq h ALA 209 Cb 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3llq h ALA 209 CO 0.03 -0.07 0.34 -1.35 0.00 0.00 0.00 179.25 178.20 3llq h PRO 210 N -0.12 0.83 -0.46 0.00 0.11 -1.78 -0.71 132.00 129.87 3llq h PRO 210 Ca 0.02 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 3llq h PRO 210 Cb 0.50 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3llq h PRO 210 CO 0.02 0.63 0.00 0.82 -0.21 0.00 0.00 178.00 179.25 3llq h ILE 211 N 0.82 1.26 -0.31 4.15 2.04 -1.44 0.56 117.51 124.59 3llq h ILE 211 Ca 0.21 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3llq h ILE 211 Cb 0.03 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3llq h ILE 211 CO -0.04 0.37 0.20 0.58 0.00 0.00 0.00 178.15 179.26 3llq h VAL 212 N 0.67 1.09 -0.36 1.67 2.07 -0.95 -1.62 116.25 118.82 3llq h VAL 212 Ca 0.13 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 3llq h VAL 212 Cb 0.50 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3llq h VAL 212 CO 0.02 0.08 0.04 1.23 0.02 0.00 0.00 177.57 178.97 3llq h GLY 213 N 0.41 0.66 0.74 2.17 0.00 -0.68 0.06 103.07 106.43 3llq h GLY 213 Ca 0.11 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.03 3llq h GLY 213 CO -0.02 0.42 0.15 -1.33 0.00 0.00 0.00 176.54 175.75 3llq h GLY 214 N 0.44 0.47 0.99 4.60 0.00 0.20 0.25 103.07 110.01 3llq h GLY 214 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3llq h GLY 214 CO 0.01 0.05 0.30 0.00 0.00 0.00 0.00 176.54 176.91 3llq h ALA 215 N 1.21 0.62 -0.51 3.60 0.00 -1.17 -1.74 119.26 121.28 3llq h ALA 215 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3llq h ALA 215 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3llq h ALA 215 CO -0.14 0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.48 3llq h ALA 216 N 1.15 0.66 -0.73 0.00 0.00 -0.46 -0.41 119.26 119.47 3llq h ALA 216 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3llq h ALA 216 Cb -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3llq h ALA 216 CO -0.03 0.20 0.45 0.78 0.00 0.00 0.00 179.25 180.64 3llq h GLY 217 N 0.68 1.06 1.01 0.00 0.00 -0.38 0.04 103.07 105.49 3llq h GLY 217 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3llq h GLY 217 CO -0.03 0.27 0.34 0.00 0.00 0.00 0.00 176.54 177.12 3llq h ALA 218 N 1.32 0.91 -0.04 3.60 0.00 -0.80 0.67 119.26 124.93 3llq h ALA 218 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3llq h ALA 218 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3llq h ALA 218 CO -0.13 0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.88 3llq h VAL 219 N 0.99 1.23 -0.74 0.00 2.07 -0.48 -1.13 116.25 118.19 3llq h VAL 219 Ca 0.24 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 67.18 3llq h VAL 219 Cb 0.12 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 3llq h VAL 219 CO -0.03 0.19 0.36 0.40 0.02 0.00 0.00 177.57 178.50 3llq h ILE 220 N -0.20 0.80 -0.15 4.57 2.04 -0.92 -2.60 117.51 121.06 3llq h ILE 220 Ca 0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3llq h ILE 220 Cb 0.29 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3llq h ILE 220 CO 0.00 0.11 0.07 -0.25 0.00 0.00 0.00 178.15 178.08 3llq h TRP 221 N 0.58 0.21 -0.08 1.37 2.91 -0.43 -1.92 115.95 118.59 3llq h TRP 221 Ca 0.38 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.41 3llq h TRP 221 Cb 0.45 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 3llq h TRP 221 CO -0.12 0.26 0.07 0.87 -1.03 0.00 0.00 178.44 178.49 3llq h LYS 222 N 0.10 0.00 -0.75 2.65 1.57 -0.97 0.46 116.57 119.64 3llq h LYS 222 Ca 0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3llq h LYS 222 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3llq h LYS 222 CO -0.01 0.00 0.30 -0.07 -0.57 0.00 0.00 179.45 179.11 3llq h LEU 223 N 0.00 1.02 0.00 2.94 4.07 -0.97 -3.41 115.31 118.96 3llq h LEU 223 Ca 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3llq h LEU 223 Cb 0.18 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3llq h LEU 223 CO -0.00 0.90 -0.30 2.22 -1.08 0.00 0.00 178.44 180.18 3llq n PHE 224 N -4.29 0.00 -0.11 1.13 1.16 -0.90 -4.95 117.46 109.49 3llq n PHE 224 Ca 0.07 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.51 3llq n PHE 224 Cb 0.18 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.91 3llq n PHE 224 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3llq n GLY 225 N 0.78 -0.68 0.16 4.97 0.00 0.16 -4.71 105.19 105.86 3llq n GLY 225 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 3llq n GLY 225 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3llq h GLU 226 N 0.00 0.47 0.00 1.61 4.57 -1.77 -3.50 114.58 115.96 3llq h GLU 226 Ca -0.56 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.24 3llq h GLU 226 Cb 2.07 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.74 3llq h GLU 226 CO -0.03 1.01 0.00 1.63 -1.18 0.00 0.00 179.01 180.45