#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cll n ASP 28 N 0.00 0.00 -0.15 -2.13 9.92 -1.26 -5.05 116.55 117.88 3cll n ASP 28 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 3cll n ASP 28 Cb 0.00 -0.02 0.48 0.00 -0.64 0.00 0.00 41.12 40.93 3cll n ASP 28 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3cll h LEU 29 N 0.00 0.43 -1.71 0.64 4.07 -2.09 -2.96 115.31 113.69 3cll h LEU 29 Ca 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 3cll h LEU 29 Cb 0.00 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3cll h LEU 29 CO 0.00 0.24 -0.17 1.23 -1.08 0.00 0.00 178.44 178.66 3cll h GLY 30 N 0.47 0.00 -0.07 0.83 0.00 -2.08 -3.48 103.07 98.74 3cll h GLY 30 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3cll h GLY 30 CO -0.11 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.61 3cll n GLU 31 N -3.74 0.00 -0.05 4.80 -0.58 -1.12 -4.95 120.64 115.01 3cll n GLU 31 Ca -0.02 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.67 3cll n GLU 31 Cb 0.28 -0.32 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 3cll n GLU 31 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3cll n LEU 32 N -0.03 0.17 0.00 -4.62 7.94 -1.26 -2.31 117.00 116.89 3cll n LEU 32 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3cll n LEU 32 Cb 0.06 0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.20 3cll n LEU 32 CO 0.00 0.26 0.00 1.17 -1.11 0.00 0.00 177.39 177.71 3cll n LYS 33 N -2.38 0.00 0.00 1.96 4.81 -1.26 -3.90 118.16 117.39 3cll n LYS 33 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3cll n LYS 33 Cb 0.80 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.85 3cll n LYS 33 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3cll n LEU 34 N 0.00 0.00 -0.18 3.14 -0.00 -1.25 -1.59 117.00 117.12 3cll n LEU 34 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 3cll n LEU 34 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 3cll n LEU 34 CO 0.00 0.00 1.06 -0.50 -0.00 0.00 0.00 177.39 177.95 3cll h TRP 35 N 0.00 0.68 -0.85 1.96 4.06 -1.65 -1.24 115.95 118.90 3cll h TRP 35 Ca 0.00 -0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.06 3cll h TRP 35 Cb 0.00 -0.22 -0.08 0.00 -1.00 0.00 0.00 29.16 27.86 3cll h TRP 35 CO 0.00 0.47 0.49 0.77 -3.56 0.00 0.00 178.44 176.61 3cll h SER 36 N 0.70 0.68 -0.08 -3.49 0.02 -1.68 -0.68 113.55 109.02 3cll h SER 36 Ca 0.19 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3cll h SER 36 Cb -0.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3cll h SER 36 CO -0.04 0.37 0.05 0.15 -1.14 0.00 0.00 176.83 176.22 3cll h PHE 37 N 0.79 0.11 -0.08 3.45 3.57 -0.64 -0.88 116.94 123.25 3cll h PHE 37 Ca 0.42 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.81 3cll h PHE 37 Cb 0.44 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3cll h PHE 37 CO -0.06 0.12 -0.48 -1.49 -2.23 0.00 0.00 178.31 174.17 3cll h TRP 38 N 0.06 0.24 -0.23 0.41 4.06 -0.91 -2.00 115.95 117.59 3cll h TRP 38 Ca 0.03 -0.08 -0.12 0.00 2.06 0.00 0.00 58.89 60.78 3cll h TRP 38 Cb 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 3cll h TRP 38 CO -0.05 0.65 -0.36 0.00 -3.56 0.00 0.00 178.44 175.11 3cll h ARG 39 N 0.16 0.51 -0.16 0.49 3.08 -1.05 -1.88 114.38 115.53 3cll h ARG 39 Ca 0.01 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 59.83 3cll h ARG 39 Cb 0.91 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3cll h ARG 39 CO 0.07 0.80 0.08 0.00 -1.07 0.00 0.00 179.97 179.86 3cll h ALA 40 N 1.18 0.19 -0.73 0.04 0.00 -0.92 0.81 119.26 119.83 3cll h ALA 40 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3cll h ALA 40 Cb 0.83 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3cll h ALA 40 CO 0.07 -0.35 0.45 0.00 0.00 0.00 0.00 179.25 179.42 3cll h ALA 41 N 1.08 0.97 -0.54 0.00 0.00 -1.19 -0.70 119.26 118.87 3cll h ALA 41 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3cll h ALA 41 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3cll h ALA 41 CO -0.04 0.19 0.21 0.82 0.00 0.00 0.00 179.25 180.43 3cll h ILE 42 N 0.85 1.22 -0.89 0.00 2.04 -1.14 0.29 117.51 119.88 3cll h ILE 42 Ca 0.31 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3cll h ILE 42 Cb 0.09 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3cll h ILE 42 CO -0.14 0.27 0.59 0.00 0.00 0.00 0.00 178.15 178.87 3cll h ALA 43 N 1.06 1.13 -0.03 1.87 0.00 -0.12 0.16 119.26 123.32 3cll h ALA 43 Ca 0.18 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3cll h ALA 43 Cb 0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3cll h ALA 43 CO -0.01 0.53 -0.77 0.93 0.00 0.00 0.00 179.25 179.92 3cll h GLU 44 N 1.21 0.23 0.24 0.00 4.39 -0.95 -0.37 114.58 119.33 3cll h GLU 44 Ca 0.33 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3cll h GLU 44 Cb -0.14 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3cll h GLU 44 CO -0.07 0.89 -0.12 0.35 -1.16 0.00 0.00 179.01 178.91 3cll h PHE 45 N 0.15 -0.30 -0.44 4.33 3.57 -0.05 -2.47 116.94 121.73 3cll h PHE 45 Ca -0.03 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 3cll h PHE 45 Cb 1.35 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 3cll h PHE 45 CO 0.03 -0.06 -0.21 0.82 -2.23 0.00 0.00 178.31 176.66 3cll h ILE 46 N -0.51 1.27 -0.53 1.41 1.08 -0.73 -2.01 117.51 117.50 3cll h ILE 46 Ca -0.03 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3cll h ILE 46 Cb 0.38 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 3cll h ILE 46 CO 0.05 0.46 0.34 0.00 -0.69 0.00 0.00 178.15 178.32 3cll h ALA 47 N 0.84 0.67 -0.05 1.87 0.00 -1.14 -0.66 119.26 120.78 3cll h ALA 47 Ca 0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3cll h ALA 47 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3cll h ALA 47 CO 0.06 0.13 -0.51 1.15 0.00 0.00 0.00 179.25 180.08 3cll h THR 48 N 0.71 1.36 -0.02 0.00 2.02 -1.36 0.06 112.91 115.67 3cll h THR 48 Ca 0.19 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3cll h THR 48 Cb -0.06 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3cll h THR 48 CO -0.04 0.51 0.02 0.25 0.37 0.00 0.00 175.52 176.63 3cll h LEU 49 N 0.11 0.03 -0.67 2.58 6.46 -1.00 -1.50 115.31 121.32 3cll h LEU 49 Ca 0.00 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 3cll h LEU 49 Cb 0.94 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 3cll h LEU 49 CO 0.07 0.05 0.39 -0.07 -0.62 0.00 0.00 178.44 178.26 3cll h LEU 50 N 0.01 0.83 -0.07 2.25 3.38 -0.75 -0.86 115.31 120.10 3cll h LEU 50 Ca 0.01 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3cll h LEU 50 Cb 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3cll h LEU 50 CO -0.00 0.67 -0.16 0.15 0.09 0.00 0.00 178.44 179.18 3cll h PHE 51 N 0.92 -0.42 -0.31 1.13 3.57 -0.87 -0.78 116.94 120.18 3cll h PHE 51 Ca 0.24 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 3cll h PHE 51 Cb 0.01 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3cll h PHE 51 CO -0.01 -0.24 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.40 3cll h LEU 52 N -0.23 0.75 0.56 0.59 -0.00 -1.10 -1.76 115.31 114.12 3cll h LEU 52 Ca 0.07 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.60 3cll h LEU 52 Cb 0.34 -0.21 0.01 0.00 -0.00 0.00 0.00 40.66 40.79 3cll h LEU 52 CO -0.20 1.04 -0.27 0.22 -0.00 0.00 0.00 178.44 179.23 3cll h TYR 53 N 0.59 -0.70 -0.43 1.13 3.20 -0.90 -0.88 116.97 118.97 3cll h TYR 53 Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3cll h TYR 53 Cb 0.90 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3cll h TYR 53 CO 0.04 -0.41 0.24 0.82 -1.64 0.00 0.00 178.16 177.22 3cll h ILE 54 N -0.83 1.15 -0.21 1.81 1.08 -1.17 -1.23 117.51 118.12 3cll h ILE 54 Ca -0.08 -0.39 -0.10 0.00 -0.39 0.00 0.00 64.86 63.90 3cll h ILE 54 Cb 0.61 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3cll h ILE 54 CO 0.13 0.16 -0.27 0.71 -0.69 0.00 0.00 178.15 178.19 3cll h THR 55 N 0.57 1.33 -0.04 -0.27 1.35 -1.31 -1.91 112.91 112.62 3cll h THR 55 Ca 0.15 -1.46 -0.18 0.00 -0.55 0.00 0.00 66.41 64.37 3cll h THR 55 Cb 0.04 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3cll h THR 55 CO -0.03 0.45 -0.75 0.58 -0.25 0.00 0.00 175.52 175.53 3cll h VAL 56 N 0.22 1.43 -0.91 6.82 2.07 -1.16 -1.08 116.25 123.64 3cll h VAL 56 Ca 0.03 -2.29 0.03 0.00 0.82 0.00 0.00 66.70 65.29 3cll h VAL 56 Cb 0.84 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 3cll h VAL 56 CO 0.06 0.67 0.59 0.00 0.02 0.00 0.00 177.57 178.92 3cll h ALA 57 N 1.05 1.19 0.03 1.67 0.00 -1.22 0.14 119.26 122.12 3cll h ALA 57 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3cll h ALA 57 Cb 1.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3cll h ALA 57 CO 0.12 0.47 -0.01 1.15 0.00 0.00 0.00 179.25 180.97 3cll h THR 58 N 1.16 1.02 -0.28 0.00 2.02 -1.07 -0.16 112.91 115.60 3cll h THR 58 Ca 0.35 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3cll h THR 58 Cb -0.03 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3cll h THR 58 CO -0.11 0.04 -0.02 0.58 0.37 0.00 0.00 175.52 176.38 3cll h VAL 59 N -0.10 0.78 -0.44 3.16 2.07 -0.85 -0.15 116.25 120.71 3cll h VAL 59 Ca -0.00 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 3cll h VAL 59 Cb 0.09 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3cll h VAL 59 CO 0.01 0.01 -0.24 0.40 0.02 0.00 0.00 177.57 177.77 3cll h ILE 60 N 0.06 1.27 -0.69 4.57 1.08 -0.91 -1.75 117.51 121.15 3cll h ILE 60 Ca 0.13 -1.40 0.05 0.00 -0.39 0.00 0.00 64.86 63.25 3cll h ILE 60 Cb 0.18 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 3cll h ILE 60 CO -0.24 0.48 0.40 1.23 -0.69 0.00 0.00 178.15 179.32 3cll h GLY 61 N 0.78 1.01 0.87 5.37 0.00 -0.90 -0.81 103.07 109.39 3cll h GLY 61 Ca 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3cll h GLY 61 CO 0.07 0.19 0.05 0.84 0.00 0.00 0.00 176.54 177.70 3cll h HIS 62 N 0.75 0.44 -0.19 5.60 -0.00 -0.81 -3.28 115.15 117.65 3cll h HIS 62 Ca 0.30 -0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.49 3cll h HIS 62 Cb 0.14 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 3cll h HIS 62 CO -0.07 0.51 -0.41 0.77 -0.00 0.00 0.00 177.93 178.74 3cll h SER 63 N 0.24 0.47 0.60 3.26 0.02 -0.99 -2.91 113.55 114.24 3cll h SER 63 Ca 0.08 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3cll h SER 63 Cb 0.30 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3cll h SER 63 CO 0.00 0.83 0.00 2.29 -1.14 0.00 0.00 176.83 178.81 3cll n LYS 64 N -4.02 0.31 -2.20 3.45 2.85 -0.34 -4.88 118.16 113.33 3cll n LYS 64 Ca -0.02 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 56.85 3cll n LYS 64 Cb 0.50 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 3cll n LYS 64 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3cll s GLU 65 N -2.66 4.31 -0.10 -1.58 2.56 -1.10 -4.94 118.70 115.18 3cll s GLU 65 Ca 0.24 2.02 -0.15 0.00 0.00 0.00 0.00 54.97 57.08 3cll s GLU 65 Cb 0.18 -3.39 -0.27 0.00 2.00 0.00 0.00 34.13 32.65 3cll s GLU 65 CO 0.44 -0.48 0.55 1.79 -0.56 0.00 0.00 175.26 176.99 3cll h THR 66 N 4.54 0.99 -2.40 -1.70 1.35 -1.90 -3.45 112.91 110.34 3cll h THR 66 Ca -0.41 -2.40 -0.53 0.00 -0.55 0.00 0.00 66.41 62.52 3cll h THR 66 Cb 1.20 2.69 0.02 0.00 -1.73 0.00 0.00 68.15 70.33 3cll h THR 66 CO 0.88 0.72 1.22 -0.69 -0.25 0.00 0.00 175.52 177.39 3cll s VAL 67 N -2.49 3.08 0.27 6.82 1.01 -1.26 -4.95 120.40 122.88 3cll s VAL 67 Ca -0.20 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 3cll s VAL 67 Cb 0.05 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.25 3cll s VAL 67 CO 0.77 -0.01 1.54 -0.69 0.00 0.00 0.00 175.10 176.71 3cll s VAL 68 N 4.39 2.28 -1.31 2.92 1.01 -1.26 -1.30 120.40 127.14 3cll s VAL 68 Ca 0.87 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 3cll s VAL 68 Cb -0.42 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3cll s VAL 68 CO 0.40 0.04 0.02 0.00 0.00 0.00 0.00 175.10 175.56 3cll n GLY 70 N -0.89 3.34 3.85 0.00 0.00 -0.42 -4.99 105.19 106.08 3cll n GLY 70 Ca -0.18 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 3cll n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cll s SER 71 N -1.40 4.41 0.16 1.61 1.04 -1.26 -4.95 113.70 113.31 3cll s SER 71 Ca 0.37 -1.47 0.21 0.00 0.48 0.00 0.00 55.95 55.53 3cll s SER 71 Cb 0.26 0.59 0.85 0.00 0.10 0.00 0.00 66.02 67.82 3cll s SER 71 CO 0.14 -1.05 1.63 1.33 0.98 0.00 0.00 173.24 176.28 3cll n VAL 72 N -1.58 0.85 0.00 5.02 0.24 -1.26 -5.01 118.33 116.59 3cll n VAL 72 Ca -0.11 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3cll n VAL 72 Cb 0.66 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 3cll n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cll n GLY 73 N 0.12 -1.76 0.28 7.63 0.00 -1.26 -1.70 105.19 108.49 3cll n GLY 73 Ca 0.03 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.64 3cll n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cll h LEU 74 N 0.00 0.00 -0.45 0.99 4.07 -1.99 -1.87 115.31 116.06 3cll h LEU 74 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 3cll h LEU 74 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3cll h LEU 74 CO 0.00 0.00 -0.07 0.25 -1.08 0.00 0.00 178.44 177.54 3cll h LEU 75 N 0.00 0.84 -0.81 1.67 5.85 -2.01 -1.88 115.31 118.97 3cll h LEU 75 Ca 0.01 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3cll h LEU 75 Cb 0.02 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3cll h LEU 75 CO -0.00 0.99 0.35 1.23 -0.34 0.00 0.00 178.44 180.67 3cll h GLY 76 N 0.68 1.29 0.80 3.75 0.00 -0.55 -1.25 103.07 107.78 3cll h GLY 76 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.78 3cll h GLY 76 CO 0.04 0.64 -0.08 -2.22 0.00 0.00 0.00 176.54 174.92 3cll h ILE 77 N 1.18 0.79 -0.48 2.60 2.04 -1.34 -0.36 117.51 121.94 3cll h ILE 77 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 3cll h ILE 77 Cb 0.19 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3cll h ILE 77 CO -0.03 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.24 3cll h ALA 78 N 0.83 0.55 -0.74 1.87 0.00 -1.13 -0.59 119.26 120.05 3cll h ALA 78 Ca 0.03 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3cll h ALA 78 Cb 0.18 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3cll h ALA 78 CO -0.08 -0.28 0.49 -1.49 0.00 0.00 0.00 179.25 177.89 3cll h TRP 79 N 0.26 0.88 -0.41 0.00 -0.00 -1.05 -1.24 115.95 114.40 3cll h TRP 79 Ca 0.24 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.10 3cll h TRP 79 Cb 0.30 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 3cll h TRP 79 CO -0.20 0.52 0.07 0.00 -0.00 0.00 0.00 178.44 178.83 3cll h ALA 80 N 1.56 0.54 0.26 1.49 0.00 0.53 0.51 119.26 124.15 3cll h ALA 80 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3cll h ALA 80 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3cll h ALA 80 CO -0.08 0.25 -0.13 0.74 0.00 0.00 0.00 179.25 180.03 3cll h PHE 81 N 0.52 -0.33 -0.29 0.00 0.04 -1.32 -1.63 116.94 113.94 3cll h PHE 81 Ca 0.12 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 3cll h PHE 81 Cb 0.36 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3cll h PHE 81 CO 0.02 -0.10 0.01 0.78 -0.60 0.00 0.00 178.31 178.43 3cll h GLY 82 N -0.51 0.54 1.70 -1.45 0.00 -1.20 -2.73 103.07 99.42 3cll h GLY 82 Ca -0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3cll h GLY 82 CO 0.06 0.36 -0.31 -1.33 0.00 0.00 0.00 176.54 175.32 3cll h GLY 83 N 0.30 0.38 1.73 4.60 0.00 -0.99 -0.74 103.07 108.35 3cll h GLY 83 Ca 0.08 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 3cll h GLY 83 CO 0.01 0.29 -0.62 -0.33 0.00 0.00 0.00 176.54 175.90 3cll h MET 84 N 0.30 0.27 -0.02 4.80 2.07 -1.33 -0.80 114.93 120.22 3cll h MET 84 Ca 0.04 -0.19 -0.00 0.00 -2.07 0.00 0.00 59.70 57.48 3cll h MET 84 Cb 0.71 0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 30.46 3cll h MET 84 CO 0.05 0.80 0.01 0.82 1.07 0.00 0.00 176.91 179.67 3cll h ILE 85 N 0.20 1.11 -0.39 -1.22 1.08 -1.14 0.12 117.51 117.27 3cll h ILE 85 Ca -0.01 -0.33 0.08 0.00 -0.39 0.00 0.00 64.86 64.21 3cll h ILE 85 Cb 1.13 1.30 -0.09 0.00 -3.07 0.00 0.00 36.82 36.09 3cll h ILE 85 CO 0.10 0.09 -0.32 0.15 -0.69 0.00 0.00 178.15 177.47 3cll h PHE 86 N -0.10 -0.89 -0.16 1.37 3.57 -1.01 0.46 116.94 120.18 3cll h PHE 86 Ca 0.01 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3cll h PHE 86 Cb 0.14 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3cll h PHE 86 CO -0.03 -0.38 0.09 0.28 -2.23 0.00 0.00 178.31 176.04 3cll h VAL 87 N -0.25 1.09 -0.31 1.41 2.07 -0.92 -1.34 116.25 118.00 3cll h VAL 87 Ca 0.17 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 3cll h VAL 87 Cb 0.54 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3cll h VAL 87 CO -0.53 0.08 -0.40 -0.07 0.02 0.00 0.00 177.57 176.67 3cll h LEU 88 N 0.17 0.88 -0.94 2.57 3.38 -0.46 -0.48 115.31 120.43 3cll h LEU 88 Ca 0.06 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3cll h LEU 88 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3cll h LEU 88 CO -0.01 1.20 -0.08 0.58 0.09 0.00 0.00 178.44 180.22 3cll h VAL 89 N 0.58 1.24 -0.59 1.22 2.07 -0.91 -1.03 116.25 118.84 3cll h VAL 89 Ca 0.04 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3cll h VAL 89 Cb 0.99 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3cll h VAL 89 CO 0.09 0.36 0.39 0.22 0.02 0.00 0.00 177.57 178.66 3cll h TYR 90 N 0.63 0.73 -0.04 1.57 3.20 -0.88 0.20 116.97 122.38 3cll h TYR 90 Ca 0.12 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 3cll h TYR 90 Cb 0.52 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3cll h TYR 90 CO 0.02 0.46 -0.56 0.00 -1.64 0.00 0.00 178.16 176.44 3cll n THR 92 N -3.89 0.00 -0.39 0.00 -2.24 -0.45 -4.66 114.28 102.65 3cll n THR 92 Ca -0.02 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.49 3cll n THR 92 Cb 0.58 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.57 3cll n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cll n ALA 93 N -1.45 -0.19 0.48 6.98 0.00 0.67 -0.68 120.51 126.32 3cll n ALA 93 Ca 0.01 0.97 0.13 0.00 0.00 0.00 0.00 53.44 54.55 3cll n ALA 93 Cb 0.20 -0.40 0.45 0.00 0.00 0.00 0.00 19.45 19.69 3cll n ALA 93 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cll h GLY 94 N 0.00 0.00 0.03 0.00 0.00 -1.85 -0.93 103.07 100.33 3cll h GLY 94 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.25 3cll h GLY 94 CO -0.98 0.00 -2.21 1.39 0.00 0.00 0.00 176.54 174.74 3cll n ILE 95 N -2.36 1.54 0.00 2.60 2.08 -0.47 -0.51 119.36 122.25 3cll n ILE 95 Ca 0.04 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.01 3cll n ILE 95 Cb 0.35 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 3cll n ILE 95 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3cll n SER 96 N -4.15 1.47 0.00 4.38 3.41 0.14 -4.32 113.62 114.55 3cll n SER 96 Ca -0.47 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 3cll n SER 96 Cb 0.86 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 3cll n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cll n GLY 97 N 1.33 1.70 2.84 5.00 0.00 -0.35 -4.78 105.19 110.93 3cll n GLY 97 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3cll n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cll n GLY 98 N -2.00 -0.94 0.09 -0.02 0.00 -1.21 -4.40 105.19 96.71 3cll n GLY 98 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 3cll n GLY 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3cll h HIS 99 N -0.19 0.00 -1.34 1.61 3.86 -1.92 -3.44 115.15 113.73 3cll h HIS 99 Ca -0.22 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.57 3cll h HIS 99 Cb 1.11 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.44 3cll h HIS 99 CO 0.20 0.79 -0.40 -0.89 0.86 0.00 0.00 177.93 178.49 3cll n ILE 100 N -4.52 -0.15 -3.18 2.45 2.08 -1.26 -4.86 119.36 109.92 3cll n ILE 100 Ca -0.20 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.15 3cll n ILE 100 Cb 0.48 -2.09 -0.02 0.00 -0.75 0.00 0.00 39.64 37.26 3cll n ILE 100 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3cll s ASN 101 N -2.63 -0.39 0.52 4.38 3.84 -1.26 -4.90 114.94 114.51 3cll s ASN 101 Ca 0.00 0.30 0.21 0.00 0.21 0.00 0.00 52.86 53.58 3cll s ASN 101 Cb 0.00 1.35 1.34 0.00 -0.55 0.00 0.00 41.25 43.39 3cll s ASN 101 CO 0.00 -0.07 2.06 -0.65 -2.79 0.00 0.00 177.10 175.65 3cll h PRO 102 N 7.85 0.01 -0.03 0.43 0.11 -1.92 -1.74 132.00 136.71 3cll h PRO 102 Ca -0.13 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.88 3cll h PRO 102 Cb 1.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3cll h PRO 102 CO -0.08 0.00 -0.44 0.00 -0.21 0.00 0.00 178.00 177.28 3cll h ALA 103 N 1.85 1.21 -0.02 -0.75 0.00 -1.89 -0.19 119.26 119.46 3cll h ALA 103 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3cll h ALA 103 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3cll h ALA 103 CO -0.00 0.57 -0.15 0.28 0.00 0.00 0.00 179.25 179.95 3cll h VAL 104 N 0.06 1.51 -0.60 0.00 2.07 -1.66 -1.00 116.25 116.63 3cll h VAL 104 Ca 0.00 -1.70 0.07 0.00 0.82 0.00 0.00 66.70 65.89 3cll h VAL 104 Cb 0.80 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 33.07 3cll h VAL 104 CO 0.06 0.46 0.28 0.74 0.02 0.00 0.00 177.57 179.13 3cll h THR 105 N -0.48 0.87 0.36 2.57 2.02 -1.42 -1.69 112.91 115.15 3cll h THR 105 Ca -0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3cll h THR 105 Cb 0.83 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3cll h THR 105 CO 0.03 0.09 -0.17 0.15 0.37 0.00 0.00 175.52 175.99 3cll h PHE 106 N 0.51 -0.45 -0.62 3.16 3.57 -0.91 0.62 116.94 122.82 3cll h PHE 106 Ca 0.28 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.90 3cll h PHE 106 Cb 0.27 0.15 -0.12 0.00 2.79 0.00 0.00 35.95 39.04 3cll h PHE 106 CO -0.12 -0.28 -0.16 0.78 -2.23 0.00 0.00 178.31 176.30 3cll h GLY 107 N -0.49 0.44 1.31 2.40 0.00 -1.05 -1.08 103.07 104.60 3cll h GLY 107 Ca -0.05 0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 3cll h GLY 107 CO 0.08 -0.24 -0.32 1.41 0.00 0.00 0.00 176.54 177.47 3cll h LEU 108 N -0.00 0.81 -0.46 3.11 3.38 -1.16 -2.85 115.31 118.13 3cll h LEU 108 Ca 0.30 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3cll h LEU 108 Cb 0.45 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 3cll h LEU 108 CO -0.64 1.07 -0.11 0.15 0.09 0.00 0.00 178.44 179.00 3cll h PHE 109 N 0.65 -0.23 -0.62 1.13 3.57 -0.21 0.17 116.94 121.40 3cll h PHE 109 Ca 0.07 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3cll h PHE 109 Cb 0.86 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3cll h PHE 109 CO 0.05 -0.19 0.41 -0.07 -2.23 0.00 0.00 178.31 176.27 3cll h LEU 110 N 0.01 0.70 -0.86 0.59 3.38 -0.99 0.16 115.31 118.29 3cll h LEU 110 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3cll h LEU 110 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3cll h LEU 110 CO -0.47 0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3cll n ALA 111 N -2.44 2.52 -2.82 1.53 0.00 -1.12 -4.95 120.51 113.23 3cll n ALA 111 Ca 0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 3cll n ALA 111 Cb 0.05 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.43 3cll n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cll n ARG 112 N 0.10 -3.57 0.00 0.00 1.74 0.55 -4.89 116.66 110.59 3cll n ARG 112 Ca 0.14 0.63 0.10 0.00 -0.77 0.00 0.00 57.85 57.95 3cll n ARG 112 Cb 0.25 -4.93 -0.03 0.00 -1.02 0.00 0.00 32.46 26.73 3cll n ARG 112 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cll n LYS 113 N -3.08 1.16 -3.99 5.56 4.76 0.53 -4.87 118.16 118.23 3cll n LYS 113 Ca -0.07 -0.68 -0.20 0.00 -2.87 0.00 0.00 58.31 54.49 3cll n LYS 113 Cb 0.58 -1.41 -0.17 0.00 -1.84 0.00 0.00 35.03 32.19 3cll n LYS 113 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3cll s VAL 114 N -2.44 0.38 0.57 -0.18 1.01 -1.19 -3.92 120.40 114.63 3cll s VAL 114 Ca 0.14 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 3cll s VAL 114 Cb 0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 3cll s VAL 114 CO 0.60 0.21 1.08 -1.61 0.00 0.00 0.00 175.10 175.37 3cll s GLU 115 N 1.22 3.33 0.20 2.72 2.02 -1.26 -4.42 118.70 122.51 3cll s GLU 115 Ca -0.07 1.35 -0.11 0.00 0.02 0.00 0.00 54.97 56.17 3cll s GLU 115 Cb -0.14 -2.03 0.20 0.00 0.10 0.00 0.00 34.13 32.27 3cll s GLU 115 CO -0.02 -0.82 1.81 1.25 0.02 0.00 0.00 175.26 177.50 3cll h LEU 116 N 0.76 0.53 -0.60 1.80 7.12 -1.99 -0.25 115.31 122.68 3cll h LEU 116 Ca -0.48 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.53 3cll h LEU 116 Cb 1.23 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 41.25 3cll h LEU 116 CO 0.57 0.36 0.29 -0.07 -0.13 0.00 0.00 178.44 179.45 3cll h LEU 117 N 0.67 0.79 -0.43 2.25 -0.00 -1.99 -1.41 115.31 115.19 3cll h LEU 117 Ca 0.27 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.88 57.96 3cll h LEU 117 Cb 0.13 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 3cll h LEU 117 CO -0.16 0.70 0.04 -0.09 -0.00 0.00 0.00 178.44 178.94 3cll h ARG 118 N 0.83 0.73 -0.31 1.13 2.43 -1.82 -0.15 114.38 117.21 3cll h ARG 118 Ca 0.21 -0.21 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3cll h ARG 118 Cb 0.12 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 3cll h ARG 118 CO -0.03 0.78 -0.25 0.00 -1.51 0.00 0.00 179.97 178.97 3cll h ALA 119 N 0.92 -0.09 -0.27 2.80 0.00 -0.77 0.31 119.26 122.17 3cll h ALA 119 Ca 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3cll h ALA 119 Cb 0.42 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3cll h ALA 119 CO 0.01 -0.65 -0.15 -0.07 0.00 0.00 0.00 179.25 178.39 3cll h LEU 120 N -0.22 0.60 -0.46 0.00 3.38 -1.10 0.28 115.31 117.79 3cll h LEU 120 Ca 0.16 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3cll h LEU 120 Cb 0.47 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3cll h LEU 120 CO -0.44 0.89 0.25 0.58 0.09 0.00 0.00 178.44 179.80 3cll h VAL 121 N 0.32 1.00 -0.48 1.22 2.07 -0.75 -1.72 116.25 117.90 3cll h VAL 121 Ca 0.06 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3cll h VAL 121 Cb 0.67 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3cll h VAL 121 CO 0.04 0.09 0.24 1.88 0.02 0.00 0.00 177.57 179.84 3cll h TYR 122 N 0.49 0.44 -0.74 1.57 -1.99 -0.13 -0.53 116.97 116.08 3cll h TYR 122 Ca 0.19 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.89 3cll h TYR 122 Cb 0.07 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 3cll h TYR 122 CO -0.09 0.22 0.27 0.52 -0.00 0.00 0.00 178.16 179.08 3cll h MET 123 N 0.48 1.12 -0.03 4.88 2.86 -0.64 0.12 114.93 123.71 3cll h MET 123 Ca 0.21 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3cll h MET 123 Cb 0.11 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3cll h MET 123 CO -0.15 0.92 -0.00 0.82 1.06 0.00 0.00 176.91 179.56 3cll h ILE 124 N 1.08 1.27 -0.68 -1.22 2.04 -1.03 -1.44 117.51 117.53 3cll h ILE 124 Ca 0.25 -0.82 0.14 0.00 1.00 0.00 0.00 64.86 65.43 3cll h ILE 124 Cb 0.24 1.76 -0.10 0.00 -0.74 0.00 0.00 36.82 37.98 3cll h ILE 124 CO -0.02 0.22 0.11 0.00 0.00 0.00 0.00 178.15 178.46 3cll h ALA 125 N 0.68 0.80 -0.20 1.87 0.00 -0.87 0.12 119.26 121.66 3cll h ALA 125 Ca 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3cll h ALA 125 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3cll h ALA 125 CO 0.00 -0.35 -0.02 1.96 0.00 0.00 0.00 179.25 180.84 3cll h GLN 126 N 0.22 0.37 -0.49 0.00 4.20 -0.69 0.52 115.11 119.24 3cll h GLN 126 Ca 0.37 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.96 3cll h GLN 126 Cb 0.61 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3cll h GLN 126 CO -0.50 0.60 0.31 0.00 -0.67 0.00 0.00 178.83 178.57 3cll h LEU 128 N 0.63 0.62 -0.41 0.00 3.38 -0.67 -2.23 115.31 116.64 3cll h LEU 128 Ca 0.18 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3cll h LEU 128 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3cll h LEU 128 CO -0.06 0.61 0.27 1.23 0.09 0.00 0.00 178.44 180.58 3cll h GLY 129 N 0.59 0.57 0.90 0.83 0.00 -0.67 -2.19 103.07 103.11 3cll h GLY 129 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3cll h GLY 129 CO -0.01 0.20 0.19 0.00 0.00 0.00 0.00 176.54 176.92 3cll h ALA 130 N 1.15 0.43 -0.31 3.60 0.00 -0.88 -1.03 119.26 122.22 3cll h ALA 130 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3cll h ALA 130 Cb -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3cll h ALA 130 CO -0.04 -0.16 0.02 0.82 0.00 0.00 0.00 179.25 179.89 3cll h ILE 131 N 0.40 0.80 -0.70 0.00 2.04 -1.24 -1.68 117.51 117.13 3cll h ILE 131 Ca 0.14 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3cll h ILE 131 Cb 0.01 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3cll h ILE 131 CO -0.07 0.02 0.35 0.00 0.00 0.00 0.00 178.15 178.45 3cll h GLY 133 N 0.98 0.47 1.16 0.00 0.00 -0.95 -0.87 103.07 103.86 3cll h GLY 133 Ca 0.24 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 3cll h GLY 133 CO -0.03 0.20 -0.08 -2.08 0.00 0.00 0.00 176.54 174.55 3cll h VAL 134 N 0.40 1.27 -0.77 4.60 2.07 -1.22 -2.80 116.25 119.80 3cll h VAL 134 Ca 0.11 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.49 3cll h VAL 134 Cb 0.05 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 3cll h VAL 134 CO -0.02 0.43 0.43 1.23 0.02 0.00 0.00 177.57 179.67 3cll h GLY 135 N 0.96 1.16 0.96 2.17 0.00 -0.52 -1.32 103.07 106.48 3cll h GLY 135 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3cll h GLY 135 CO 0.04 0.14 0.20 1.41 0.00 0.00 0.00 176.54 178.33 3cll h LEU 136 N 0.75 0.58 -0.38 3.11 3.38 -1.09 0.57 115.31 122.23 3cll h LEU 136 Ca 0.36 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3cll h LEU 136 Cb 0.29 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3cll h LEU 136 CO -0.22 0.56 0.16 0.58 0.09 0.00 0.00 178.44 179.60 3cll h VAL 137 N 0.56 0.92 -0.66 1.22 2.07 -1.15 -1.48 116.25 117.73 3cll h VAL 137 Ca 0.15 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3cll h VAL 137 Cb 0.14 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3cll h VAL 137 CO -0.02 0.06 0.37 0.50 0.02 0.00 0.00 177.57 178.50 3cll h LYS 138 N 0.33 0.92 -0.88 1.57 3.64 -1.00 -1.62 116.57 119.53 3cll h LYS 138 Ca 0.17 -0.10 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 3cll h LYS 138 Cb 0.12 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 3cll h LYS 138 CO -0.15 0.68 0.57 0.00 -2.27 0.00 0.00 179.45 178.28 3cll h ALA 139 N 1.18 1.84 0.00 5.00 0.00 -0.57 -1.30 119.26 125.41 3cll h ALA 139 Ca 0.23 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3cll h ALA 139 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3cll h ALA 139 CO -0.04 -0.08 -0.82 0.74 0.00 0.00 0.00 179.25 179.06 3cll h PHE 140 N 0.68 0.00 -0.37 0.00 0.05 -0.48 -3.41 116.94 113.42 3cll h PHE 140 Ca 0.44 0.00 -0.28 0.00 3.82 0.00 0.00 57.97 61.95 3cll h PHE 140 Cb 0.71 0.00 -0.21 0.00 2.00 0.00 0.00 35.95 38.46 3cll h PHE 140 CO -0.00 0.54 -0.59 0.00 -0.18 0.00 0.00 178.31 178.09 3cll n MET 141 N -3.12 1.08 -0.16 1.51 0.00 -0.68 -5.02 117.12 110.72 3cll n MET 141 Ca -0.02 -2.22 -0.02 0.00 0.00 0.00 0.00 57.70 55.44 3cll n MET 141 Cb 0.78 -0.86 0.06 0.00 0.00 0.00 0.00 33.22 33.20 3cll n MET 141 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3cll h LYS 142 N 2.71 0.16 0.00 3.17 3.64 -1.46 0.16 116.57 124.95 3cll h LYS 142 Ca -0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3cll h LYS 142 Cb 1.15 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3cll h LYS 142 CO 0.16 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.85 3cll n GLY 143 N -1.30 -2.71 0.32 5.01 0.00 -1.26 -1.86 105.19 103.39 3cll n GLY 143 Ca 0.05 0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.44 3cll n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cll h PRO 144 N 0.00 0.00 0.41 1.61 0.13 -1.97 -1.41 132.00 130.78 3cll h PRO 144 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3cll h PRO 144 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3cll h PRO 144 CO 0.00 0.00 -0.27 -0.92 -0.23 0.00 0.00 178.00 176.58 3cll h TYR 145 N 0.00 -0.72 -0.23 1.56 3.20 -0.42 -0.77 116.97 119.60 3cll h TYR 145 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3cll h TYR 145 Cb 0.46 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3cll h TYR 145 CO 0.00 -0.42 0.05 -0.91 -1.64 0.00 0.00 178.16 175.24 3cll h ASN 146 N -0.67 0.35 -0.72 -2.11 2.35 -1.22 -0.59 115.58 112.97 3cll h ASN 146 Ca -0.04 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3cll h ASN 146 Cb 0.56 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 3cll h ASN 146 CO 0.03 0.50 0.47 -0.61 -1.65 0.00 0.00 177.43 176.18 3cll h GLN 147 N 0.19 0.74 -0.25 0.81 4.15 -1.25 -3.24 115.11 116.26 3cll h GLN 147 Ca 0.07 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3cll h GLN 147 Cb 0.29 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3cll h GLN 147 CO 0.00 0.49 0.00 1.19 -1.93 0.00 0.00 178.83 178.58 3cll n PHE 148 N -4.48 0.89 0.00 3.99 3.72 -0.30 -4.94 117.46 116.34 3cll n PHE 148 Ca 0.10 -0.88 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 3cll n PHE 148 Cb 0.21 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 3cll n PHE 148 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cll n GLY 149 N -0.55 0.74 2.80 1.37 0.00 -1.20 -4.63 105.19 103.72 3cll n GLY 149 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 3cll n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cll n GLY 150 N -1.05 0.31 2.47 -0.02 0.00 -0.24 -2.42 105.19 104.25 3cll n GLY 150 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3cll n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cll n GLY 151 N 0.21 1.00 3.82 -0.02 0.00 -1.26 -4.80 105.19 104.15 3cll n GLY 151 Ca -0.02 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3cll n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cll s ALA 152 N -2.12 3.01 0.03 4.61 0.00 -1.02 -4.88 121.76 121.40 3cll s ALA 152 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 3cll s ALA 152 Cb 0.00 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 3cll s ALA 152 CO 0.00 -0.06 0.48 -0.80 0.00 0.00 0.00 175.76 175.38 3cll s ASN 153 N -2.41 6.92 0.25 0.00 -0.87 -1.26 -4.93 114.94 112.64 3cll s ASN 153 Ca 0.62 1.09 -0.22 0.00 -1.57 0.00 0.00 52.86 52.78 3cll s ASN 153 Cb -0.10 -2.30 0.03 0.00 -0.02 0.00 0.00 41.25 38.86 3cll s ASN 153 CO 0.20 0.30 0.79 -0.94 -2.57 0.00 0.00 177.10 174.88 3cll s SER 154 N -1.06 -0.21 -0.02 -1.22 1.04 -1.19 -4.86 113.70 106.18 3cll s SER 154 Ca 0.26 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 3cll s SER 154 Cb -0.18 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3cll s SER 154 CO 0.16 -1.25 1.01 -0.69 0.98 0.00 0.00 173.24 173.44 3cll s VAL 155 N -3.61 4.78 0.69 5.02 1.01 -1.26 -4.26 120.40 122.77 3cll s VAL 155 Ca 0.12 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.99 3cll s VAL 155 Cb -0.05 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3cll s VAL 155 CO 0.06 0.12 1.06 0.00 0.00 0.00 0.00 175.10 176.35 3cll s ALA 156 N 1.23 2.74 0.21 5.51 0.00 -0.39 -4.98 121.76 126.08 3cll s ALA 156 Ca 0.52 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 3cll s ALA 156 Cb -0.21 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3cll s ALA 156 CO 0.26 -1.15 1.44 -0.51 0.00 0.00 0.00 175.76 175.80 3cll s LEU 157 N -5.47 4.39 0.00 0.00 1.43 -1.26 -2.90 118.68 114.87 3cll s LEU 157 Ca 0.58 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 3cll s LEU 157 Cb -0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3cll s LEU 157 CO 0.54 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3cll n GLY 158 N 2.63 0.54 3.31 -3.19 0.00 -1.26 -5.09 105.19 102.13 3cll n GLY 158 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3cll n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cll s TYR 159 N -2.00 1.97 0.62 1.61 2.02 -1.14 -5.16 117.35 115.27 3cll s TYR 159 Ca 0.00 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.36 3cll s TYR 159 Cb 0.00 -1.09 0.10 0.00 -0.40 0.00 0.00 41.96 40.57 3cll s TYR 159 CO 0.00 0.22 0.85 0.54 -1.57 0.00 0.00 175.55 175.60 3cll s ASN 160 N -1.81 4.86 0.28 2.29 2.20 -1.26 -4.84 114.94 116.66 3cll s ASN 160 Ca 0.09 -0.71 0.01 0.00 -0.94 0.00 0.00 52.86 51.32 3cll s ASN 160 Cb -0.10 0.21 0.41 0.00 -2.00 0.00 0.00 41.25 39.77 3cll s ASN 160 CO 0.04 -1.51 1.74 0.11 -2.94 0.00 0.00 177.10 174.55 3cll h LYS 161 N -0.04 0.55 -0.51 3.55 1.79 -1.99 -1.10 116.57 118.83 3cll h LYS 161 Ca -0.32 -0.19 -0.12 0.00 -2.18 0.00 0.00 60.65 57.84 3cll h LYS 161 Cb 1.28 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 3cll h LYS 161 CO 0.40 0.71 -0.16 0.78 -1.08 0.00 0.00 179.45 180.10 3cll h GLY 162 N 0.98 1.09 0.78 3.86 0.00 -1.98 0.36 103.07 108.16 3cll h GLY 162 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 3cll h GLY 162 CO 0.04 0.84 0.01 -0.84 0.00 0.00 0.00 176.54 176.59 3cll h THR 163 N 0.88 1.21 -0.71 4.70 2.02 -1.91 -0.14 112.91 118.96 3cll h THR 163 Ca 0.13 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.73 3cll h THR 163 Cb 0.73 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.58 3cll h THR 163 CO 0.06 0.18 0.38 0.00 0.37 0.00 0.00 175.52 176.51 3cll h ALA 164 N 0.78 0.98 -0.33 6.16 0.00 -1.12 0.22 119.26 125.95 3cll h ALA 164 Ca 0.02 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3cll h ALA 164 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3cll h ALA 164 CO 0.00 0.02 -0.37 1.25 0.00 0.00 0.00 179.25 180.15 3cll h LEU 165 N 0.67 0.82 -0.39 0.00 5.85 -0.79 -2.26 115.31 119.20 3cll h LEU 165 Ca 0.34 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3cll h LEU 165 Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3cll h LEU 165 CO -0.23 1.10 -0.11 1.23 -0.34 0.00 0.00 178.44 180.09 3cll h GLY 166 N 0.91 0.84 0.83 3.75 0.00 -0.54 -0.71 103.07 108.15 3cll h GLY 166 Ca 0.06 -0.70 0.06 0.00 0.00 0.00 0.00 47.33 46.75 3cll h GLY 166 CO 0.08 0.64 0.61 0.00 0.00 0.00 0.00 176.54 177.87 3cll h ALA 167 N 0.83 1.48 -0.07 3.60 0.00 -0.48 -1.48 119.26 123.15 3cll h ALA 167 Ca 0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 3cll h ALA 167 Cb 0.64 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3cll h ALA 167 CO 0.04 0.38 -0.91 0.93 0.00 0.00 0.00 179.25 179.69 3cll h GLU 168 N 1.07 0.70 0.07 0.00 4.39 -1.30 -1.51 114.58 118.01 3cll h GLU 168 Ca 0.40 -0.67 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3cll h GLU 168 Cb 0.18 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3cll h GLU 168 CO -0.15 1.26 -0.03 0.82 -1.16 0.00 0.00 179.01 179.75 3cll h ILE 169 N 0.44 0.94 -0.06 3.13 2.04 -0.93 -1.50 117.51 121.57 3cll h ILE 169 Ca -0.09 -0.03 -0.23 0.00 1.00 0.00 0.00 64.86 65.51 3cll h ILE 169 Cb 1.55 0.96 0.01 0.00 -0.74 0.00 0.00 36.82 38.60 3cll h ILE 169 CO 0.18 0.01 -0.88 -0.29 0.00 0.00 0.00 178.15 177.17 3cll h ILE 170 N -0.11 1.33 -0.96 -0.67 -0.00 -1.32 -0.64 117.51 115.15 3cll h ILE 170 Ca -0.01 -2.21 0.01 0.00 -0.00 0.00 0.00 64.86 62.66 3cll h ILE 170 Cb 0.08 2.23 -0.05 0.00 -0.00 0.00 0.00 36.82 39.08 3cll h ILE 170 CO 0.02 0.68 0.64 1.23 -0.00 0.00 0.00 178.15 180.71 3cll h GLY 171 N 0.87 1.36 1.76 8.18 0.00 -1.32 -1.00 103.07 112.92 3cll h GLY 171 Ca -0.07 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 46.55 3cll h GLY 171 CO 0.16 0.48 -0.89 -0.84 0.00 0.00 0.00 176.54 175.46 3cll h THR 172 N 1.29 1.49 -0.12 4.70 2.02 -1.11 -2.65 112.91 118.53 3cll h THR 172 Ca 0.36 -2.62 0.02 0.00 0.77 0.00 0.00 66.41 64.94 3cll h THR 172 Cb -0.12 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 3cll h THR 172 CO -0.08 0.76 0.01 0.15 0.37 0.00 0.00 175.52 176.73 3cll h PHE 173 N 0.12 0.01 -0.41 3.16 3.57 -0.66 0.22 116.94 122.95 3cll h PHE 173 Ca -0.05 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3cll h PHE 173 Cb 1.52 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 3cll h PHE 173 CO 0.03 -0.00 -0.06 0.28 -2.23 0.00 0.00 178.31 176.33 3cll h VAL 174 N 0.05 0.63 0.38 1.41 2.07 -1.13 0.12 116.25 119.78 3cll h VAL 174 Ca 0.05 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3cll h VAL 174 Cb 0.06 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3cll h VAL 174 CO -0.08 0.01 -0.24 0.25 0.02 0.00 0.00 177.57 177.53 3cll h LEU 175 N 0.04 -0.60 -0.56 2.57 5.85 -1.07 -0.28 115.31 121.26 3cll h LEU 175 Ca 0.20 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 3cll h LEU 175 Cb 0.30 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3cll h LEU 175 CO -0.38 -0.38 -0.70 0.58 -0.34 0.00 0.00 178.44 177.21 3cll h VAL 176 N -0.60 1.46 -0.64 1.05 2.07 -0.42 -0.58 116.25 118.59 3cll h VAL 176 Ca -0.04 -2.31 0.04 0.00 0.82 0.00 0.00 66.70 65.22 3cll h VAL 176 Cb 0.49 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 3cll h VAL 176 CO 0.04 0.67 0.37 0.22 0.02 0.00 0.00 177.57 178.89 3cll h TYR 177 N 0.08 0.69 -0.14 1.57 3.20 -0.70 -0.98 116.97 120.68 3cll h TYR 177 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3cll h TYR 177 Cb 1.25 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3cll h TYR 177 CO 0.01 0.36 0.07 1.15 -1.64 0.00 0.00 178.16 178.11 3cll h THR 178 N 0.71 1.11 -0.46 1.81 2.02 -0.48 -1.49 112.91 116.12 3cll h THR 178 Ca 0.27 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3cll h THR 178 Cb 0.11 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3cll h THR 178 CO -0.15 0.10 0.16 -0.37 0.37 0.00 0.00 175.52 175.63 3cll h VAL 179 N 0.12 0.85 -0.33 3.16 -1.51 -0.95 0.38 116.25 117.96 3cll h VAL 179 Ca 0.05 -0.11 0.05 0.00 -1.23 0.00 0.00 66.70 65.45 3cll h VAL 179 Cb 0.09 0.49 -0.05 0.00 -2.13 0.00 0.00 31.29 29.69 3cll h VAL 179 CO -0.01 0.06 0.06 -0.26 -1.23 0.00 0.00 177.57 176.19 3cll h PHE 180 N 0.33 0.10 0.00 5.19 0.04 -1.12 -0.50 116.94 120.98 3cll h PHE 180 Ca 0.22 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 3cll h PHE 180 Cb 0.22 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 3cll h PHE 180 CO -0.16 0.01 -0.01 0.77 -0.60 0.00 0.00 178.31 178.33 3cll h SER 181 N 0.17 0.00 -0.45 2.17 0.02 -0.95 -2.87 113.55 111.65 3cll h SER 181 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3cll h SER 181 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3cll h SER 181 CO -0.21 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.48 3cll n ALA 182 N -2.11 2.41 -1.90 3.77 0.00 0.09 -4.96 120.51 117.81 3cll n ALA 182 Ca -0.02 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 3cll n ALA 182 Cb 0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 3cll n ALA 182 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cll s THR 183 N -1.40 3.74 -0.36 0.00 -4.23 -0.81 -1.20 115.64 111.38 3cll s THR 183 Ca 0.40 1.63 -0.25 0.00 -1.18 0.00 0.00 61.69 62.29 3cll s THR 183 Cb 0.23 -4.04 0.01 0.00 1.34 0.00 0.00 72.50 70.05 3cll s THR 183 CO 0.32 0.34 0.90 -0.62 -0.54 0.00 0.00 174.62 175.02 3cll s ASP 184 N -0.55 6.66 0.27 3.99 -1.08 0.65 -4.94 116.67 121.66 3cll s ASP 184 Ca 0.46 0.56 0.24 0.00 -0.52 0.00 0.00 52.55 53.29 3cll s ASP 184 Cb -0.30 -2.45 1.00 0.00 -1.46 0.00 0.00 42.92 39.71 3cll s ASP 184 CO 0.37 -0.83 1.72 -0.81 0.52 0.00 0.00 175.17 176.14 3cll n PRO 185 N 6.70 0.21 -0.09 4.34 -0.04 -1.26 -3.53 135.00 141.33 3cll n PRO 185 Ca 0.06 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 63.86 3cll n PRO 185 Cb 0.48 -1.89 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 3cll n PRO 185 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3cll n LYS 186 N -2.28 1.08 -4.58 0.54 5.02 -1.26 -5.01 118.16 111.67 3cll n LYS 186 Ca 0.02 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 3cll n LYS 186 Cb 0.23 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 3cll n LYS 186 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3cll s ARG 187 N -2.43 2.97 0.25 1.97 0.52 -1.23 -5.09 118.95 115.91 3cll s ARG 187 Ca -0.11 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 3cll s ARG 187 Cb 0.05 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 3cll s ARG 187 CO 0.70 0.57 -0.12 -1.12 0.02 0.00 0.00 175.30 175.34 3cll s SER 188 N -0.54 2.87 0.66 0.23 0.01 -1.26 -1.49 113.70 114.17 3cll s SER 188 Ca 0.08 -1.09 -0.17 0.00 1.31 0.00 0.00 55.95 56.08 3cll s SER 188 Cb -0.12 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.93 3cll s SER 188 CO 0.02 -0.20 1.23 0.00 0.41 0.00 0.00 173.24 174.70 3cll s ALA 189 N -2.89 2.33 -0.32 1.44 0.00 0.15 -4.64 121.76 117.83 3cll s ALA 189 Ca 0.27 0.99 -0.43 0.00 0.00 0.00 0.00 51.96 52.79 3cll s ALA 189 Cb 0.00 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 19.47 3cll s ALA 189 CO 0.10 -1.56 1.60 -2.13 0.00 0.00 0.00 175.76 173.78 3cll n ARG 190 N -2.14 0.61 -3.61 0.00 0.63 0.34 -2.25 116.66 110.23 3cll n ARG 190 Ca 0.14 0.22 -0.22 0.00 -0.92 0.00 0.00 57.85 57.07 3cll n ARG 190 Cb 0.50 -1.82 0.06 0.00 0.45 0.00 0.00 32.46 31.65 3cll n ARG 190 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cll n ASP 191 N 4.31 -3.31 -3.00 6.15 8.00 -1.26 -4.85 116.55 122.60 3cll n ASP 191 Ca 0.27 -0.68 -0.09 0.00 0.71 0.00 0.00 54.79 55.01 3cll n ASP 191 Cb 0.06 -4.65 0.02 0.00 -0.02 0.00 0.00 41.12 36.53 3cll n ASP 191 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3cll s SER 192 N -3.95 0.01 -0.07 -2.24 1.04 -0.95 -4.86 113.70 102.67 3cll s SER 192 Ca 0.25 -1.12 0.11 0.00 0.48 0.00 0.00 55.95 55.67 3cll s SER 192 Cb -0.11 0.84 0.22 0.00 0.10 0.00 0.00 66.02 67.07 3cll s SER 192 CO 0.77 -1.66 1.15 1.41 0.98 0.00 0.00 173.24 175.88 3cll n HIS 193 N -0.53 0.19 -2.29 5.02 8.25 -1.26 -4.59 115.22 120.01 3cll n HIS 193 Ca -0.08 -0.74 -0.43 0.00 -0.26 0.00 0.00 57.72 56.21 3cll n HIS 193 Cb 0.60 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3cll n HIS 193 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3cll s VAL 194 N -1.97 3.96 0.43 1.59 1.01 -1.25 -4.86 120.40 119.32 3cll s VAL 194 Ca 0.21 1.10 -0.26 0.00 0.00 0.00 0.00 61.98 63.03 3cll s VAL 194 Cb 0.17 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 3cll s VAL 194 CO 0.04 -0.37 1.45 -0.81 0.00 0.00 0.00 175.10 175.42 3cll n PRO 195 N 7.38 2.39 -1.74 2.72 -0.04 -1.26 0.34 135.00 144.79 3cll n PRO 195 Ca 0.16 0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 64.05 3cll n PRO 195 Cb 0.46 -2.65 -0.01 0.00 -0.04 0.00 0.00 33.50 31.26 3cll n PRO 195 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3cll n ILE 196 N -0.02 1.45 -4.77 0.52 5.41 -0.56 -4.57 119.36 116.82 3cll n ILE 196 Ca 0.04 -0.36 -0.33 0.00 1.00 0.00 0.00 62.75 63.10 3cll n ILE 196 Cb 0.41 -1.86 -0.12 0.00 -0.71 0.00 0.00 39.64 37.35 3cll n ILE 196 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3cll s LEU 197 N -0.98 2.90 -0.35 1.39 1.43 -1.26 -0.26 118.68 121.56 3cll s LEU 197 Ca 0.60 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.27 3cll s LEU 197 Cb -0.52 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3cll s LEU 197 CO 0.55 0.33 1.25 0.00 0.23 0.00 0.00 176.35 178.72 3cll s ALA 198 N -0.65 3.30 0.27 4.21 0.00 -0.34 -4.89 121.76 123.66 3cll s ALA 198 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.03 3cll s ALA 198 Cb -0.11 -3.81 0.37 0.00 0.00 0.00 0.00 23.12 19.57 3cll s ALA 198 CO 0.01 -1.91 1.66 -1.00 0.00 0.00 0.00 175.76 174.53 3cll h PRO 199 N 9.31 0.36 0.08 0.00 0.13 -1.89 -3.35 132.00 136.64 3cll h PRO 199 Ca -0.25 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3cll h PRO 199 Cb 1.09 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3cll h PRO 199 CO 1.06 0.71 -0.04 1.25 -0.23 0.00 0.00 178.00 180.75 3cll h LEU 200 N 0.30 -0.09 -1.41 1.56 5.85 -1.93 -0.23 115.31 119.37 3cll h LEU 200 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3cll h LEU 200 Cb 0.84 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3cll h LEU 200 CO 0.07 0.17 0.38 -0.65 -0.34 0.00 0.00 178.44 178.07 3cll h PRO 201 N -0.35 0.78 0.04 5.25 0.11 -1.99 0.55 132.00 136.38 3cll h PRO 201 Ca -0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3cll h PRO 201 Cb 0.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3cll h PRO 201 CO 0.02 0.52 -0.02 0.82 -0.21 0.00 0.00 178.00 179.13 3cll h ILE 202 N 0.80 1.16 -0.96 4.15 2.04 -1.64 -0.65 117.51 122.40 3cll h ILE 202 Ca 0.21 -0.65 0.13 0.00 1.00 0.00 0.00 64.86 65.56 3cll h ILE 202 Cb -0.08 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 3cll h ILE 202 CO -0.05 0.16 0.58 1.23 0.00 0.00 0.00 178.15 180.08 3cll h GLY 203 N -0.34 1.58 1.49 5.37 0.00 -0.75 -2.36 103.07 108.06 3cll h GLY 203 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 3cll h GLY 203 CO 0.01 0.10 -0.30 0.74 0.00 0.00 0.00 176.54 177.09 3cll h PHE 204 N 0.89 0.67 -0.51 5.60 -1.00 -0.65 -0.98 116.94 120.96 3cll h PHE 204 Ca 0.49 -0.16 0.01 0.00 2.81 0.00 0.00 57.97 61.11 3cll h PHE 204 Cb 0.55 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3cll h PHE 204 CO -0.02 0.82 0.34 0.00 -1.61 0.00 0.00 178.31 177.84 3cll h ALA 205 N 1.17 0.65 -0.08 2.45 0.00 -0.78 -0.46 119.26 122.20 3cll h ALA 205 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cll h ALA 205 Cb 0.77 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3cll h ALA 205 CO 0.06 0.08 0.05 0.28 0.00 0.00 0.00 179.25 179.72 3cll h VAL 206 N 0.68 1.08 -0.32 0.00 2.07 -1.16 -2.02 116.25 116.59 3cll h VAL 206 Ca 0.19 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3cll h VAL 206 Cb -0.07 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 3cll h VAL 206 CO -0.05 0.07 -0.40 0.15 0.02 0.00 0.00 177.57 177.37 3cll h PHE 207 N 0.04 -1.15 -0.61 1.57 3.57 -0.89 -1.51 116.94 117.96 3cll h PHE 207 Ca 0.03 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3cll h PHE 207 Cb 0.08 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3cll h PHE 207 CO -0.04 -0.44 0.40 0.52 -2.23 0.00 0.00 178.31 176.52 3cll h MET 208 N -0.36 0.80 -0.34 1.11 2.86 -1.01 -1.96 114.93 116.03 3cll h MET 208 Ca 0.13 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3cll h MET 208 Cb 0.58 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3cll h MET 208 CO -0.51 0.53 -0.14 0.28 1.06 0.00 0.00 176.91 178.13 3cll h VAL 209 N 0.82 1.25 -0.85 -2.22 2.07 -1.16 -2.22 116.25 113.95 3cll h VAL 209 Ca 0.23 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3cll h VAL 209 Cb -0.08 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3cll h VAL 209 CO -0.05 0.37 0.49 0.45 0.02 0.00 0.00 177.57 178.85 3cll h HIS 210 N 0.55 1.14 -0.68 1.57 -0.00 -0.64 -0.18 115.15 116.90 3cll h HIS 210 Ca 0.10 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.54 3cll h HIS 210 Cb 0.56 -0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 3cll h HIS 210 CO 0.02 0.77 0.45 -0.07 -0.00 0.00 0.00 177.93 179.10 3cll h LEU 211 N 1.17 0.53 0.09 2.43 3.38 -0.75 -1.48 115.31 120.68 3cll h LEU 211 Ca 0.30 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.96 3cll h LEU 211 Cb -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3cll h LEU 211 CO -0.05 0.33 -1.69 0.00 0.09 0.00 0.00 178.44 177.11 3cll h ALA 212 N 1.65 0.44 0.00 1.53 0.00 -1.27 -3.41 119.26 118.19 3cll h ALA 212 Ca 0.31 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3cll h ALA 212 Cb 0.42 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3cll h ALA 212 CO -0.10 1.30 -1.26 2.41 0.00 0.00 0.00 179.25 181.60 3cll n THR 213 N -3.36 0.00 -0.23 0.00 -1.04 -0.11 -4.53 114.28 105.02 3cll n THR 213 Ca -0.20 -0.27 0.01 0.00 -2.04 0.00 0.00 64.05 61.55 3cll n THR 213 Cb 1.05 0.48 0.08 0.00 -1.82 0.00 0.00 70.33 70.12 3cll n THR 213 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3cll h ILE 214 N 0.00 0.35 0.00 12.58 2.04 -1.46 -1.68 117.51 129.34 3cll h ILE 214 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3cll h ILE 214 Cb 0.50 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3cll h ILE 214 CO 0.00 0.00 -0.07 -0.65 0.00 0.00 0.00 178.15 177.43 3cll h PRO 215 N 0.02 0.00 0.00 2.37 0.11 -1.85 -0.40 132.00 132.25 3cll h PRO 215 Ca 0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.35 3cll h PRO 215 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3cll h PRO 215 CO -0.67 0.07 -0.61 0.82 -0.21 0.00 0.00 178.00 177.41 3cll h ILE 216 N 0.00 0.84 0.00 4.15 2.04 -1.60 -3.43 117.51 119.51 3cll h ILE 216 Ca -0.00 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.03 3cll h ILE 216 Cb 0.20 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3cll h ILE 216 CO 0.01 0.29 0.00 0.35 0.00 0.00 0.00 178.15 178.79 3cll n THR 217 N -4.56 0.01 0.00 -0.27 -2.24 -0.85 -1.27 114.28 105.10 3cll n THR 217 Ca -0.17 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3cll n THR 217 Cb 0.45 1.65 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 3cll n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cll n GLY 218 N -0.00 2.83 0.66 3.38 0.00 -0.16 -3.20 105.19 108.70 3cll n GLY 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cll n GLY 218 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cll n THR 219 N -2.00 -1.99 0.00 2.61 -1.04 -1.21 -4.42 114.28 106.23 3cll n THR 219 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3cll n THR 219 Cb 0.00 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.19 3cll n THR 219 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cll n GLY 220 N 0.02 -0.43 1.99 3.41 0.00 -1.26 -4.96 105.19 103.96 3cll n GLY 220 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3cll n GLY 220 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3cll n ILE 221 N -1.86 -0.17 -2.99 -0.61 -5.35 -1.26 -4.80 119.36 102.33 3cll n ILE 221 Ca 0.00 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.51 3cll n ILE 221 Cb 0.00 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 36.93 3cll n ILE 221 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3cll s ASN 222 N -1.84 -0.75 0.44 7.28 3.84 -1.26 -4.85 114.94 117.80 3cll s ASN 222 Ca 0.00 -0.23 0.18 0.00 0.21 0.00 0.00 52.86 53.02 3cll s ASN 222 Cb 0.00 1.11 1.12 0.00 -0.55 0.00 0.00 41.25 42.93 3cll s ASN 222 CO 0.00 -0.10 1.91 -0.65 -2.79 0.00 0.00 177.10 175.47 3cll h PRO 223 N 6.42 0.34 -0.35 0.43 0.11 -1.87 -2.18 132.00 134.90 3cll h PRO 223 Ca -0.03 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3cll h PRO 223 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3cll h PRO 223 CO -0.02 0.23 -0.13 0.00 -0.21 0.00 0.00 178.00 177.87 3cll h ALA 224 N 1.64 0.49 -0.57 -0.75 0.00 -1.91 -0.26 119.26 117.90 3cll h ALA 224 Ca 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3cll h ALA 224 Cb 0.99 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3cll h ALA 224 CO -0.12 0.38 0.28 -0.09 0.00 0.00 0.00 179.25 179.71 3cll h ARG 225 N 0.50 0.81 -0.24 0.00 1.12 -1.77 0.20 114.38 115.00 3cll h ARG 225 Ca 0.08 -0.11 -0.07 0.00 -1.11 0.00 0.00 59.98 58.77 3cll h ARG 225 Cb 0.66 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 3cll h ARG 225 CO 0.04 0.65 -0.13 0.77 -3.11 0.00 0.00 179.97 178.20 3cll h SER 226 N 0.77 0.52 -0.10 -3.80 0.02 -1.34 -3.12 113.55 106.50 3cll h SER 226 Ca 0.20 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3cll h SER 226 Cb 0.10 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3cll h SER 226 CO -0.03 0.82 0.05 0.15 -1.14 0.00 0.00 176.83 176.69 3cll h PHE 227 N 0.22 0.15 -0.56 3.45 3.57 -0.93 -1.97 116.94 120.87 3cll h PHE 227 Ca 0.05 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 3cll h PHE 227 Cb 0.63 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 3cll h PHE 227 CO 0.06 0.22 0.24 0.78 -2.23 0.00 0.00 178.31 177.38 3cll h GLY 228 N 0.04 0.78 1.06 2.40 0.00 -0.71 0.12 103.07 106.76 3cll h GLY 228 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3cll h GLY 228 CO -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 3cll h ALA 229 N 1.35 0.76 -0.49 3.60 0.00 -1.48 -2.79 119.26 120.20 3cll h ALA 229 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cll h ALA 229 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3cll h ALA 229 CO -0.24 0.60 0.31 0.00 0.00 0.00 0.00 179.25 179.92 3cll h ALA 230 N 0.96 0.63 -0.20 0.00 0.00 -0.90 -0.39 119.26 119.35 3cll h ALA 230 Ca 0.16 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3cll h ALA 230 Cb 0.56 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3cll h ALA 230 CO 0.03 0.10 -0.04 0.28 0.00 0.00 0.00 179.25 179.63 3cll h VAL 231 N 0.66 0.82 0.03 0.00 2.07 -0.96 0.36 116.25 119.22 3cll h VAL 231 Ca 0.18 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.42 3cll h VAL 231 Cb -0.03 0.80 0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3cll h VAL 231 CO -0.04 0.00 -1.09 0.40 0.02 0.00 0.00 177.57 176.87 3cll h ILE 232 N 0.02 1.28 0.07 4.57 1.08 -1.45 -3.31 117.51 119.76 3cll h ILE 232 Ca 0.10 -2.29 -0.25 0.00 -0.39 0.00 0.00 64.86 62.03 3cll h ILE 232 Cb 0.14 2.46 -0.00 0.00 -3.07 0.00 0.00 36.82 36.34 3cll h ILE 232 CO -0.19 0.71 -1.10 0.15 -0.69 0.00 0.00 178.15 177.02 3cll h PHE 233 N 0.36 0.40 -6.11 1.37 3.57 -1.08 -3.48 116.94 111.98 3cll h PHE 233 Ca -0.14 -0.27 -0.38 0.00 3.53 0.00 0.00 57.97 60.70 3cll h PHE 233 Cb 1.75 -0.03 0.09 0.00 2.79 0.00 0.00 35.95 40.55 3cll h PHE 233 CO 0.11 1.17 -0.86 -1.71 -2.23 0.00 0.00 178.31 174.78 3cll n ASN 234 N -3.56 -5.67 -4.41 0.41 5.15 0.11 -5.02 115.26 102.27 3cll n ASN 234 Ca -0.06 -0.90 -0.29 0.00 -0.60 0.00 0.00 54.58 52.73 3cll n ASN 234 Cb 0.95 -3.62 -0.13 0.00 -0.53 0.00 0.00 39.78 36.46 3cll n ASN 234 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3cll s SER 235 N -3.38 3.43 0.17 1.20 1.04 -1.26 -5.04 113.70 109.86 3cll s SER 235 Ca 0.40 -0.73 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 3cll s SER 235 Cb -0.13 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.77 3cll s SER 235 CO 0.84 0.17 1.70 0.78 0.98 0.00 0.00 173.24 177.72 3cll h ASN 236 N 3.78 0.85 -0.50 7.02 2.35 -1.98 -1.73 115.58 125.37 3cll h ASN 236 Ca -0.50 -0.20 0.10 0.00 -0.55 0.00 0.00 56.30 55.15 3cll h ASN 236 Cb 1.17 -0.22 -0.10 0.00 0.05 0.00 0.00 38.32 39.22 3cll h ASN 236 CO 0.41 0.82 -0.15 0.50 -1.65 0.00 0.00 177.43 177.37 3cll h LYS 237 N 0.82 -0.02 -0.19 0.81 3.11 -1.99 -0.32 116.57 118.78 3cll h LYS 237 Ca 0.19 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.93 3cll h LYS 237 Cb 0.27 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 3cll h LYS 237 CO -0.01 -0.02 -0.26 0.28 -2.81 0.00 0.00 179.45 176.64 3cll h VAL 238 N -0.03 1.34 -0.05 2.00 2.07 -1.88 -3.15 116.25 116.55 3cll h VAL 238 Ca 0.24 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3cll h VAL 238 Cb 0.39 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3cll h VAL 238 CO -0.53 0.44 -0.03 -0.50 0.02 0.00 0.00 177.57 176.97 3cll h TRP 239 N 0.18 0.06 -0.01 1.57 -0.00 -1.12 -1.47 115.95 115.16 3cll h TRP 239 Ca 0.02 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.81 3cll h TRP 239 Cb 0.82 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.95 3cll h TRP 239 CO 0.09 0.09 -0.48 -0.44 -0.00 0.00 0.00 178.44 177.70 3cll h ASP 240 N 0.06 0.02 0.06 -3.49 3.32 -1.02 -3.11 116.42 112.26 3cll h ASP 240 Ca 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cll h ASP 240 Cb 0.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3cll h ASP 240 CO 0.00 0.49 -0.16 0.47 -1.72 0.00 0.00 179.24 178.33 3cll n ASP 241 N -3.97 1.72 0.20 6.45 8.00 -0.58 -4.57 116.55 123.80 3cll n ASP 241 Ca -0.02 -1.41 0.05 0.00 0.71 0.00 0.00 54.79 54.12 3cll n ASP 241 Cb 0.50 0.12 0.41 0.00 -0.02 0.00 0.00 41.12 42.13 3cll n ASP 241 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3cll h GLN 242 N 2.46 0.00 -0.17 -1.24 5.75 -1.41 -2.78 115.11 117.72 3cll h GLN 242 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3cll h GLN 242 Cb 0.64 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 3cll h GLN 242 CO 0.00 0.34 -0.08 0.11 -2.65 0.00 0.00 178.83 176.55 3cll h TRP 243 N 0.00 0.26 -0.99 3.99 5.08 -1.82 -1.95 115.95 120.53 3cll h TRP 243 Ca -0.00 -0.02 0.13 0.00 1.08 0.00 0.00 58.89 60.07 3cll h TRP 243 Cb 0.69 -0.08 -0.08 0.00 -3.00 0.00 0.00 29.16 26.69 3cll h TRP 243 CO 0.00 0.34 0.62 0.82 -1.28 0.00 0.00 178.44 178.94 3cll h ILE 244 N 0.24 0.90 -0.07 0.12 2.04 -1.84 0.98 117.51 119.89 3cll h ILE 244 Ca 0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3cll h ILE 244 Cb 0.30 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3cll h ILE 244 CO 0.01 0.17 0.00 0.49 0.00 0.00 0.00 178.15 178.83 3cll n PHE 245 N -4.62 0.08 -0.07 1.37 3.72 -0.74 -0.51 117.46 116.70 3cll n PHE 245 Ca 0.19 -0.04 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 3cll n PHE 245 Cb 0.38 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 3cll n PHE 245 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3cll n TRP 246 N 0.08 0.00 0.04 1.38 7.02 -0.94 -3.67 117.44 121.35 3cll n TRP 246 Ca 0.18 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.53 3cll n TRP 246 Cb 0.31 -0.49 -0.09 0.00 -2.42 0.00 0.00 31.31 28.62 3cll n TRP 246 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3cll h VAL 247 N -0.46 1.12 0.22 -0.99 2.07 -0.84 -2.27 116.25 115.10 3cll h VAL 247 Ca -0.34 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3cll h VAL 247 Cb 1.31 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 3cll h VAL 247 CO -0.20 0.18 -0.49 1.23 0.02 0.00 0.00 177.57 178.31 3cll h GLY 248 N -0.45 -1.19 1.31 2.17 0.00 -0.99 -1.64 103.07 102.28 3cll h GLY 248 Ca -0.01 0.62 -0.00 0.00 0.00 0.00 0.00 47.33 47.94 3cll h GLY 248 CO 0.02 -0.31 0.41 -2.55 0.00 0.00 0.00 176.54 174.12 3cll h PRO 249 N -0.78 0.92 -0.53 4.80 0.11 -1.72 0.12 132.00 134.92 3cll h PRO 249 Ca -0.02 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 3cll h PRO 249 Cb 0.75 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3cll h PRO 249 CO -0.21 0.64 -0.02 0.74 -0.21 0.00 0.00 178.00 178.94 3cll h PHE 250 N 0.94 1.05 -0.05 0.65 -1.00 -1.29 0.18 116.94 117.41 3cll h PHE 250 Ca 0.25 -0.19 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3cll h PHE 250 Cb -0.04 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.25 3cll h PHE 250 CO 0.00 0.97 0.02 0.82 -1.61 0.00 0.00 178.31 178.51 3cll h ILE 251 N 0.83 1.14 -0.80 -0.55 2.04 -0.98 -0.42 117.51 118.78 3cll h ILE 251 Ca 0.15 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.68 3cll h ILE 251 Cb 0.56 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 3cll h ILE 251 CO 0.03 0.11 0.46 1.23 0.00 0.00 0.00 178.15 179.98 3cll h GLY 252 N -0.08 1.22 0.97 5.37 0.00 -0.63 -0.08 103.07 109.85 3cll h GLY 252 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3cll h GLY 252 CO -0.00 0.15 0.08 0.00 0.00 0.00 0.00 176.54 176.77 3cll h ALA 253 N 1.43 0.63 -0.70 3.60 0.00 -0.54 -1.93 119.26 121.75 3cll h ALA 253 Ca 0.37 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3cll h ALA 253 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3cll h ALA 253 CO -0.22 0.35 0.25 0.00 0.00 0.00 0.00 179.25 179.63 3cll h ALA 254 N 0.96 0.91 -0.45 0.00 0.00 -0.45 -1.66 119.26 118.57 3cll h ALA 254 Ca 0.14 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3cll h ALA 254 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3cll h ALA 254 CO 0.01 0.55 -0.27 0.28 0.00 0.00 0.00 179.25 179.82 3cll h VAL 255 N 1.00 1.27 -0.27 0.00 2.07 -0.92 -1.75 116.25 117.65 3cll h VAL 255 Ca 0.23 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.32 3cll h VAL 255 Cb 0.25 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3cll h VAL 255 CO -0.01 0.49 0.14 0.00 0.02 0.00 0.00 177.57 178.21 3cll h ALA 256 N 0.83 0.33 -0.26 1.67 0.00 -1.31 0.16 119.26 120.68 3cll h ALA 256 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3cll h ALA 256 Cb 0.86 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3cll h ALA 256 CO 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 3cll h ALA 257 N 1.13 0.21 -0.63 0.00 0.00 -1.23 0.77 119.26 119.52 3cll h ALA 257 Ca 0.11 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3cll h ALA 257 Cb 0.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3cll h ALA 257 CO -0.06 -0.43 0.04 0.00 0.00 0.00 0.00 179.25 178.79 3cll h ALA 258 N 1.24 0.84 0.03 0.00 0.00 -1.16 -0.68 119.26 119.53 3cll h ALA 258 Ca 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3cll h ALA 258 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cll h ALA 258 CO -0.23 0.65 -0.01 -0.92 0.00 0.00 0.00 179.25 178.73 3cll h TYR 259 N 0.98 -0.04 -0.19 0.00 3.20 -0.46 -0.36 116.97 120.12 3cll h TYR 259 Ca 0.18 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3cll h TYR 259 Cb 0.51 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3cll h TYR 259 CO 0.04 0.09 0.00 1.25 -1.64 0.00 0.00 178.16 177.90 3cll h HIS 260 N -0.16 0.36 0.24 -3.82 2.76 -0.77 -0.14 115.15 113.62 3cll h HIS 260 Ca -0.00 -0.06 -0.32 0.00 -2.20 0.00 0.00 60.37 57.78 3cll h HIS 260 Cb 0.14 -0.09 0.03 0.00 1.55 0.00 0.00 27.41 29.04 3cll h HIS 260 CO -0.04 0.53 -1.42 1.96 -1.30 0.00 0.00 177.93 177.66 3cll h GLN 261 N 0.09 0.50 0.00 5.26 1.08 -1.11 -2.01 115.11 118.92 3cll h GLN 261 Ca 0.05 -0.85 -0.44 0.00 -1.45 0.00 0.00 58.65 55.97 3cll h GLN 261 Cb 0.38 0.32 -0.07 0.00 -0.05 0.00 0.00 27.48 28.06 3cll h GLN 261 CO 0.01 1.41 -2.50 0.66 -0.95 0.00 0.00 178.83 177.46 3cll n TYR 262 N -3.77 0.00 -0.00 2.96 4.01 -0.17 -3.52 117.16 116.67 3cll n TYR 262 Ca -0.17 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.40 3cll n TYR 262 Cb 1.07 -0.98 -0.13 0.00 -0.31 0.00 0.00 39.34 38.99 3cll n TYR 262 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3cll h VAL 263 N -0.68 1.57 0.00 -0.72 3.04 -1.10 -3.36 116.25 114.99 3cll h VAL 263 Ca -0.66 -2.26 -0.20 0.00 -1.01 0.00 0.00 66.70 62.58 3cll h VAL 263 Cb 1.69 3.03 -0.03 0.00 -2.01 0.00 0.00 31.29 33.96 3cll h VAL 263 CO -0.32 0.62 -1.12 -0.07 -1.01 0.00 0.00 177.57 175.68 3cll h LEU 264 N -0.50 0.00 -2.02 3.16 3.38 -1.14 -3.49 115.31 114.71 3cll h LEU 264 Ca -0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 3cll h LEU 264 Cb 1.27 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.84 3cll h LEU 264 CO 0.09 0.82 -0.79 -1.14 0.09 0.00 0.00 178.44 177.51 3cll n ARG 265 N -3.18 -0.94 -2.47 1.13 0.63 -0.75 -4.94 116.66 106.13 3cll n ARG 265 Ca -0.05 0.08 -0.02 0.00 -0.92 0.00 0.00 57.85 56.93 3cll n ARG 265 Cb 0.90 -2.99 -0.02 0.00 0.45 0.00 0.00 32.46 30.81 3cll n ARG 265 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cll n ALA 266 N -3.91 -2.56 -0.71 5.13 0.00 -1.26 -5.05 120.51 112.15 3cll n ALA 266 Ca -0.25 1.22 0.00 0.00 0.00 0.00 0.00 53.44 54.41 3cll n ALA 266 Cb 0.56 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3cll n ALA 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50