#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itt h ARG 5 N 0.00 0.77 -5.42 -1.08 2.47 -1.93 -3.41 114.38 105.78 3itt h ARG 5 Ca 0.00 -0.25 -0.65 0.00 -1.26 0.00 0.00 59.98 57.82 3itt h ARG 5 Cb 0.00 -0.07 -0.22 0.00 -1.65 0.00 0.00 29.97 28.03 3itt h ARG 5 CO 0.00 0.85 -0.69 0.42 0.56 0.00 0.00 179.97 181.11 3itt s ILE 6 N -4.80 3.71 0.20 2.04 -1.09 -1.26 -5.01 121.20 114.99 3itt s ILE 6 Ca -0.09 -0.43 -0.32 0.00 -2.23 0.00 0.00 60.65 57.57 3itt s ILE 6 Cb 0.14 -2.60 -0.13 0.00 -1.58 0.00 0.00 42.46 38.28 3itt s ILE 6 CO 0.82 0.51 1.51 0.00 -1.23 0.00 0.00 174.94 176.56 3itt n ALA 7 N 3.34 1.39 -0.10 9.38 0.00 -1.26 -4.87 120.51 128.39 3itt n ALA 7 Ca -0.18 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3itt n ALA 7 Cb 0.53 -2.33 0.29 0.00 0.00 0.00 0.00 19.45 17.93 3itt n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3itt h GLN 8 N 5.18 0.74 -0.23 0.00 4.20 -1.98 -1.45 115.11 121.57 3itt h GLN 8 Ca -0.45 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.15 3itt h GLN 8 Cb 1.26 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3itt h GLN 8 CO 0.83 0.58 0.05 0.38 -0.67 0.00 0.00 178.83 180.00 3itt h ASP 9 N 0.74 0.30 -0.24 1.46 2.03 -1.99 -0.45 116.42 118.27 3itt h ASP 9 Ca 0.18 -0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 56.35 3itt h ASP 9 Cb 0.09 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 38.51 3itt h ASP 9 CO -0.02 0.32 -0.24 0.58 -1.03 0.00 0.00 179.24 178.85 3itt h VAL 10 N 0.33 1.32 -0.31 4.15 2.07 -1.64 -1.24 116.25 120.92 3itt h VAL 10 Ca 0.08 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3itt h VAL 10 Cb 0.15 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3itt h VAL 10 CO -0.00 0.44 0.18 0.58 0.02 0.00 0.00 177.57 178.78 3itt h VAL 11 N 0.28 1.13 -0.46 2.57 2.07 -0.92 -0.68 116.25 120.23 3itt h VAL 11 Ca 0.04 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3itt h VAL 11 Cb 0.79 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3itt h VAL 11 CO 0.06 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.97 3itt h ALA 12 N 1.05 0.59 -0.45 1.67 0.00 -1.10 -1.10 119.26 119.92 3itt h ALA 12 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3itt h ALA 12 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3itt h ALA 12 CO -0.02 0.19 0.24 -0.09 0.00 0.00 0.00 179.25 179.57 3itt h ARG 13 N 0.60 0.64 0.00 0.00 2.43 -1.00 -0.52 114.38 116.52 3itt h ARG 13 Ca 0.15 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3itt h ARG 13 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3itt h ARG 13 CO -0.02 0.51 0.00 0.93 -1.51 0.00 0.00 179.97 179.88 3itt h GLU 14 N 0.59 0.00 0.20 0.20 4.39 -1.00 -2.72 114.58 116.24 3itt h GLU 14 Ca 0.16 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.53 3itt h GLU 14 Cb 0.06 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3itt h GLU 14 CO -0.02 0.00 -1.59 -0.91 -1.16 0.00 0.00 179.01 175.33 3itt h ASN 15 N 0.00 0.66 -0.44 1.42 -0.26 -0.71 -3.34 115.58 112.91 3itt h ASN 15 Ca 0.00 -0.93 -0.08 0.00 -0.56 0.00 0.00 56.30 54.74 3itt h ASN 15 Cb 0.60 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 3itt h ASN 15 CO 0.00 1.73 0.01 0.44 -1.06 0.00 0.00 177.43 178.55 3itt h ASP 16 N 0.05 0.81 0.39 5.81 3.32 -0.99 0.21 116.42 126.01 3itt h ASP 16 Ca -0.30 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3itt h ASP 16 Cb 2.06 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.39 3itt h ASP 16 CO 0.19 0.87 0.00 -2.11 -1.72 0.00 0.00 179.24 176.47 3itt n ARG 17 N -4.21 0.21 0.00 3.56 1.85 -1.04 -2.54 116.66 114.50 3itt n ARG 17 Ca 0.03 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 3itt n ARG 17 Cb 0.30 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 3itt n ARG 17 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3itt n ARG 18 N -1.32 2.27 -0.26 2.89 1.74 -0.76 -4.78 116.66 116.43 3itt n ARG 18 Ca 0.08 -0.27 -0.05 0.00 -0.77 0.00 0.00 57.85 56.84 3itt n ARG 18 Cb 0.16 -0.75 0.06 0.00 -1.02 0.00 0.00 32.46 30.90 3itt n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itt h ALA 19 N 0.00 0.93 0.10 7.54 0.00 -0.33 -2.33 119.26 125.17 3itt h ALA 19 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3itt h ALA 19 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3itt h ALA 19 CO 0.00 0.41 -0.05 1.03 0.00 0.00 0.00 179.25 180.65 3itt h SER 20 N 1.00 -0.11 -0.79 0.00 0.87 -1.86 -1.31 113.55 111.35 3itt h SER 20 Ca 0.26 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3itt h SER 20 Cb -0.01 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 3itt h SER 20 CO -0.05 0.01 0.45 0.00 -0.53 0.00 0.00 176.83 176.71 3itt h ALA 21 N 0.67 1.00 -0.40 6.23 0.00 -1.89 -2.65 119.26 122.23 3itt h ALA 21 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3itt h ALA 21 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3itt h ALA 21 CO 0.02 0.50 0.21 1.25 0.00 0.00 0.00 179.25 181.23 3itt h LEU 22 N 1.08 0.51 -0.24 0.00 5.85 -1.30 -2.21 115.31 119.00 3itt h LEU 22 Ca 0.28 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3itt h LEU 22 Cb 0.00 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3itt h LEU 22 CO -0.05 0.46 -0.32 0.50 -0.34 0.00 0.00 178.44 178.69 3itt h LYS 23 N 0.51 -0.32 -0.36 1.25 3.64 -0.90 0.20 116.57 120.58 3itt h LYS 23 Ca 0.14 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3itt h LYS 23 Cb 0.07 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 3itt h LYS 23 CO -0.02 -0.21 0.11 0.93 -2.27 0.00 0.00 179.45 177.98 3itt h GLU 24 N -0.33 0.24 -0.53 1.90 4.39 -1.30 -0.92 114.58 118.02 3itt h GLU 24 Ca 0.13 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 3itt h GLU 24 Cb 0.54 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3itt h GLU 24 CO -0.43 0.16 0.07 -0.44 -1.16 0.00 0.00 179.01 177.21 3itt h ASP 25 N 0.24 0.86 -0.58 1.42 3.32 -0.83 -1.47 116.42 119.38 3itt h ASP 25 Ca 0.17 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3itt h ASP 25 Cb 0.17 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3itt h ASP 25 CO -0.19 0.91 0.09 0.22 -1.72 0.00 0.00 179.24 178.55 3itt h TYR 26 N 0.78 1.02 -0.20 4.55 3.20 -0.40 -0.54 116.97 125.37 3itt h TYR 26 Ca 0.16 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3itt h TYR 26 Cb 0.43 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3itt h TYR 26 CO 0.03 0.89 0.06 0.93 -1.64 0.00 0.00 178.16 178.43 3itt h GLU 27 N 0.85 0.31 0.09 1.82 5.08 -1.07 0.19 114.58 121.85 3itt h GLU 27 Ca 0.17 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3itt h GLU 27 Cb 0.42 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3itt h GLU 27 CO 0.01 0.42 -0.15 0.00 -1.00 0.00 0.00 179.01 178.29 3itt h ALA 28 N 0.88 -0.25 -0.56 3.43 0.00 -1.11 0.08 119.26 121.73 3itt h ALA 28 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3itt h ALA 28 Cb 0.24 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3itt h ALA 28 CO -0.00 -0.67 0.27 1.25 0.00 0.00 0.00 179.25 180.10 3itt h LEU 29 N -0.29 0.70 -0.97 0.00 5.85 -1.02 -0.39 115.31 119.19 3itt h LEU 29 Ca 0.02 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3itt h LEU 29 Cb 0.31 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3itt h LEU 29 CO -0.08 0.60 0.29 1.23 -0.34 0.00 0.00 178.44 180.14 3itt h GLY 30 N 0.88 1.10 0.88 3.75 0.00 0.08 0.22 103.07 109.98 3itt h GLY 30 Ca 0.20 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 3itt h GLY 30 CO -0.03 0.54 -0.28 0.00 0.00 0.00 0.00 176.54 176.77 3itt h ALA 31 N 1.30 0.31 -0.38 3.60 0.00 -0.17 -1.44 119.26 122.49 3itt h ALA 31 Ca 0.24 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3itt h ALA 31 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3itt h ALA 31 CO -0.02 0.32 0.21 -0.97 0.00 0.00 0.00 179.25 178.79 3itt h ASN 32 N 0.23 0.33 -0.43 0.00 -0.73 -0.78 -1.61 115.58 112.60 3itt h ASN 32 Ca 0.02 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.13 3itt h ASN 32 Cb 0.86 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.37 3itt h ASN 32 CO 0.07 0.24 0.03 -0.07 -0.37 0.00 0.00 177.43 177.32 3itt h LEU 33 N 0.43 0.77 -1.12 0.34 3.38 -0.94 -2.42 115.31 115.75 3itt h LEU 33 Ca 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3itt h LEU 33 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3itt h LEU 33 CO -0.09 0.82 0.27 0.00 0.09 0.00 0.00 178.44 179.54 3itt h ALA 34 N 1.27 1.31 0.00 1.53 0.00 -0.69 0.25 119.26 122.93 3itt h ALA 34 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3itt h ALA 34 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3itt h ALA 34 CO 0.02 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3itt h ARG 35 N 0.88 0.00 -0.67 0.00 3.08 -0.84 -1.72 114.38 115.11 3itt h ARG 35 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3itt h ARG 35 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3itt h ARG 35 CO -0.02 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.42 3itt n ARG 36 N -3.02 2.62 -1.79 0.04 1.74 0.28 -4.94 116.66 111.58 3itt n ARG 36 Ca 0.00 -2.51 -0.09 0.00 -0.77 0.00 0.00 57.85 54.49 3itt n ARG 36 Cb 0.27 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3itt n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itt n GLY 37 N 1.61 0.44 3.25 -0.13 0.00 -0.64 -5.02 105.19 104.70 3itt n GLY 37 Ca 0.23 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3itt n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itt s VAL 38 N -2.39 1.99 -0.55 1.61 1.01 0.61 -4.99 120.40 117.69 3itt s VAL 38 Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 3itt s VAL 38 Cb 0.00 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.78 3itt s VAL 38 CO 0.00 0.55 0.65 -0.62 0.00 0.00 0.00 175.10 175.68 3itt s ASP 39 N -0.14 6.20 0.41 3.32 2.15 -1.26 -2.86 116.67 124.49 3itt s ASP 39 Ca -0.04 -1.24 0.21 0.00 0.43 0.00 0.00 52.55 51.91 3itt s ASP 39 Cb -0.14 -2.29 1.16 0.00 -0.30 0.00 0.00 42.92 41.36 3itt s ASP 39 CO 0.04 -0.99 1.77 -0.29 -0.17 0.00 0.00 175.17 175.52 3itt h ILE 40 N 5.89 0.49 -0.68 4.11 2.10 -1.92 -0.40 117.51 127.10 3itt h ILE 40 Ca -0.29 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3itt h ILE 40 Cb 1.09 0.12 -0.03 0.00 -1.09 0.00 0.00 36.82 36.91 3itt h ILE 40 CO 1.03 0.06 0.45 -0.33 -1.08 0.00 0.00 178.15 178.28 3itt h GLU 41 N 0.34 0.91 -0.57 2.19 4.39 -1.98 -1.10 114.58 118.76 3itt h GLU 41 Ca 0.60 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 3itt h GLU 41 Cb 1.62 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 30.04 3itt h GLU 41 CO -0.28 0.61 0.35 0.00 -1.16 0.00 0.00 179.01 178.53 3itt h ALA 42 N 1.24 0.72 -0.12 3.43 0.00 -1.49 -1.40 119.26 121.65 3itt h ALA 42 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3itt h ALA 42 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3itt h ALA 42 CO -0.05 0.20 0.06 0.28 0.00 0.00 0.00 179.25 179.74 3itt h VAL 43 N 0.77 1.12 -0.82 0.00 2.07 -1.33 -2.61 116.25 115.45 3itt h VAL 43 Ca 0.20 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.44 3itt h VAL 43 Cb -0.02 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3itt h VAL 43 CO -0.04 0.11 0.53 0.74 0.02 0.00 0.00 177.57 178.93 3itt h THR 44 N 0.06 1.06 -0.79 2.57 2.02 -0.99 -1.73 112.91 115.10 3itt h THR 44 Ca 0.04 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3itt h THR 44 Cb 0.12 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 3itt h THR 44 CO -0.00 0.17 0.36 0.00 0.37 0.00 0.00 175.52 176.41 3itt h ALA 45 N 1.55 1.15 -0.08 6.16 0.00 -0.90 -1.44 119.26 125.69 3itt h ALA 45 Ca 0.35 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 3itt h ALA 45 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3itt h ALA 45 CO -0.12 0.64 -0.81 0.87 0.00 0.00 0.00 179.25 179.82 3itt h LYS 46 N 1.13 0.54 -0.70 0.00 1.57 -1.04 -3.15 116.57 114.93 3itt h LYS 46 Ca 0.27 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3itt h LYS 46 Cb 0.14 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3itt h LYS 46 CO -0.03 1.11 0.32 0.28 -0.57 0.00 0.00 179.45 180.55 3itt h VAL 47 N 0.35 1.23 0.00 0.50 2.07 -1.11 -1.42 116.25 117.87 3itt h VAL 47 Ca -0.06 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3itt h VAL 47 Cb 1.42 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3itt h VAL 47 CO 0.15 0.28 -0.03 -0.33 0.02 0.00 0.00 177.57 177.66 3itt h GLU 48 N 1.00 0.00 -0.44 1.57 5.08 -1.23 -2.25 114.58 118.31 3itt h GLU 48 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3itt h GLU 48 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3itt h GLU 48 CO -0.03 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3itt n LYS 49 N -4.21 2.48 -3.16 2.33 4.76 -0.57 -4.89 118.16 114.90 3itt n LYS 49 Ca -0.03 -2.25 -0.41 0.00 -2.87 0.00 0.00 58.31 52.76 3itt n LYS 49 Cb 0.12 -1.51 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 3itt n LYS 49 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3itt s PHE 50 N -1.43 3.24 0.16 2.13 5.36 -0.85 -5.05 117.98 121.55 3itt s PHE 50 Ca 0.40 0.63 0.11 0.00 -0.96 0.00 0.00 56.93 57.11 3itt s PHE 50 Cb 0.23 -2.87 -0.04 0.00 -0.34 0.00 0.00 43.02 39.99 3itt s PHE 50 CO 0.31 -0.39 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.37 3itt s PHE 51 N 2.49 2.30 -0.04 10.12 0.08 -1.26 -4.72 117.98 126.95 3itt s PHE 51 Ca 0.24 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 3itt s PHE 51 Cb -0.15 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 3itt s PHE 51 CO 0.10 0.41 0.09 0.54 -0.10 0.00 0.00 175.22 176.26 3itt s VAL 52 N -1.33 -0.05 0.39 -0.44 0.11 0.09 -4.77 120.40 114.41 3itt s VAL 52 Ca 0.17 0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 59.14 3itt s VAL 52 Cb -0.09 -0.16 -0.09 0.00 -1.53 0.00 0.00 36.38 34.52 3itt s VAL 52 CO 0.08 0.07 1.20 0.00 -3.33 0.00 0.00 175.10 173.12 3itt s ALA 53 N 1.03 3.20 -0.12 1.54 0.00 -0.65 -4.23 121.76 122.53 3itt s ALA 53 Ca -0.08 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 3itt s ALA 53 Cb -0.11 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3itt s ALA 53 CO -0.04 -0.58 0.04 0.14 0.00 0.00 0.00 175.76 175.31 3itt s VAL 54 N -1.35 4.61 -0.00 0.00 -7.23 -0.76 -0.75 120.40 114.92 3itt s VAL 54 Ca 0.56 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 60.32 3itt s VAL 54 Cb -0.33 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 3itt s VAL 54 CO 0.42 0.56 0.93 -2.16 -0.31 0.00 0.00 175.10 174.54 3itt s PRO 55 N -0.50 4.55 0.36 4.82 0.04 -1.25 -1.12 135.00 141.89 3itt s PRO 55 Ca 0.10 1.32 0.11 0.00 0.04 0.00 0.00 61.00 62.57 3itt s PRO 55 Cb -0.12 -3.45 0.88 0.00 0.04 0.00 0.00 34.50 31.85 3itt s PRO 55 CO 0.02 -0.00 1.82 0.66 0.04 0.00 0.00 177.00 179.54 3itt h SER 56 N 6.66 0.62 0.00 6.66 4.64 -1.64 0.20 113.55 130.70 3itt h SER 56 Ca -0.41 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3itt h SER 56 Cb 1.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3itt h SER 56 CO 0.75 0.25 0.00 -2.67 -0.87 0.00 0.00 176.83 174.29 3itt n TRP 57 N -4.62 0.00 0.57 4.77 2.14 -1.26 -3.49 117.44 115.54 3itt n TRP 57 Ca 0.21 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.90 3itt n TRP 57 Cb 0.60 0.00 0.17 0.00 -0.81 0.00 0.00 31.31 31.27 3itt n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3itt n GLY 58 N 0.85 -1.41 0.00 -1.67 0.00 0.71 -3.96 105.19 99.70 3itt n GLY 58 Ca 0.20 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3itt n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3itt n VAL 59 N -2.11 0.02 -3.33 1.61 0.24 -1.23 -4.69 118.33 108.84 3itt n VAL 59 Ca 0.03 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.34 62.07 3itt n VAL 59 Cb 0.44 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.69 3itt n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3itt s GLY 60 N -3.02 1.52 0.18 7.63 0.00 -1.25 -4.65 107.32 107.71 3itt s GLY 60 Ca 0.12 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 3itt s GLY 60 CO 0.62 -0.70 1.20 -1.59 0.00 0.00 0.00 173.10 172.63 3itt s THR 61 N -2.26 3.59 0.73 0.90 2.01 -1.26 -4.62 115.64 114.73 3itt s THR 61 Ca 0.41 1.32 -0.08 0.00 0.31 0.00 0.00 61.69 63.66 3itt s THR 61 Cb -0.10 -3.85 0.16 0.00 0.01 0.00 0.00 72.50 68.72 3itt s THR 61 CO 0.35 0.21 1.00 0.61 -0.69 0.00 0.00 174.62 176.09 3itt n GLY 62 N 2.25 -0.48 3.83 4.40 0.00 0.11 -4.92 105.19 110.38 3itt n GLY 62 Ca 0.05 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 3itt n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3itt s GLY 63 N -5.10 0.20 0.51 -0.02 0.00 -1.26 -4.38 107.32 97.27 3itt s GLY 63 Ca 0.60 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.77 3itt s GLY 63 CO 0.41 -0.19 0.16 -0.51 0.00 0.00 0.00 173.10 172.97 3itt s THR 64 N -2.88 1.45 -0.59 0.90 -4.23 -0.25 -4.99 115.64 105.05 3itt s THR 64 Ca 0.14 -1.79 0.19 0.00 -1.18 0.00 0.00 61.69 59.05 3itt s THR 64 Cb -0.05 -2.24 0.19 0.00 1.34 0.00 0.00 72.50 71.73 3itt s THR 64 CO 0.10 0.00 1.57 -2.11 -0.54 0.00 0.00 174.62 173.64 3itt n ARG 65 N -1.44 0.12 -0.02 3.99 1.85 -1.26 -2.50 116.66 117.40 3itt n ARG 65 Ca -0.11 0.44 -0.08 0.00 -1.00 0.00 0.00 57.85 57.10 3itt n ARG 65 Cb 0.66 -1.77 -0.14 0.00 -1.05 0.00 0.00 32.46 30.16 3itt n ARG 65 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3itt n PHE 66 N -2.01 0.99 -3.63 2.89 3.72 -1.26 -5.04 117.46 113.13 3itt n PHE 66 Ca 0.01 0.36 -0.01 0.00 -0.05 0.00 0.00 57.45 57.77 3itt n PHE 66 Cb 0.15 -1.18 -0.02 0.00 -0.94 0.00 0.00 39.48 37.49 3itt n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3itt s ALA 67 N -2.60 -2.29 -0.05 4.37 0.00 -1.04 -5.14 121.76 115.01 3itt s ALA 67 Ca -0.05 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.65 3itt s ALA 67 Cb 0.08 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3itt s ALA 67 CO 0.83 -0.66 -0.06 0.50 0.00 0.00 0.00 175.76 176.37 3itt s ARG 68 N -2.01 1.03 -0.73 0.00 3.52 -1.26 -1.09 118.95 118.41 3itt s ARG 68 Ca 0.13 -0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.61 3itt s ARG 68 Cb 0.01 -1.00 0.18 0.00 -1.56 0.00 0.00 34.95 32.58 3itt s ARG 68 CO -0.03 -0.08 0.53 1.19 -0.81 0.00 0.00 175.30 176.10 3itt n PHE 69 N 4.11 3.38 -1.63 5.12 3.72 -1.26 -5.07 117.46 125.83 3itt n PHE 69 Ca -0.23 -4.30 -0.37 0.00 -0.05 0.00 0.00 57.45 52.51 3itt n PHE 69 Cb 0.51 -0.68 0.07 0.00 -0.94 0.00 0.00 39.48 38.44 3itt n PHE 69 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3itt n PRO 70 N 1.96 0.92 -1.05 -1.08 -0.04 -1.26 -4.94 135.00 129.51 3itt n PRO 70 Ca 0.20 0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 3itt n PRO 70 Cb 0.35 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3itt n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3itt n GLY 71 N 1.09 1.82 3.86 0.55 0.00 -1.26 -5.09 105.19 106.16 3itt n GLY 71 Ca 0.15 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 3itt n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itt s THR 72 N 0.78 4.65 -1.41 2.61 -4.23 -1.26 -4.10 115.64 112.68 3itt s THR 72 Ca 0.03 0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 61.42 3itt s THR 72 Cb -0.00 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.06 3itt s THR 72 CO 0.02 -0.95 1.10 0.61 -0.54 0.00 0.00 174.62 174.86 3itt n GLY 73 N -2.25 -0.52 3.71 3.99 0.00 -1.26 -4.81 105.19 104.05 3itt n GLY 73 Ca 0.06 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3itt n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3itt s GLU 74 N -6.36 4.24 0.14 1.61 0.41 -1.26 -4.75 118.70 112.74 3itt s GLU 74 Ca 0.57 2.27 -0.30 0.00 -0.41 0.00 0.00 54.97 57.10 3itt s GLU 74 Cb -0.26 -3.24 -0.08 0.00 -1.78 0.00 0.00 34.13 28.77 3itt s GLU 74 CO 0.76 -0.57 1.26 -1.25 -0.49 0.00 0.00 175.26 174.97 3itt s PRO 75 N 1.32 4.42 -0.27 0.39 0.04 -1.26 -4.94 135.00 134.70 3itt s PRO 75 Ca 0.69 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.65 3itt s PRO 75 Cb -0.41 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 30.91 3itt s PRO 75 CO 0.31 -0.23 -0.06 1.03 0.04 0.00 0.00 177.00 178.09 3itt s ARG 76 N 0.35 2.53 0.00 4.56 1.81 -1.26 -4.84 118.95 122.10 3itt s ARG 76 Ca 0.57 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 3itt s ARG 76 Cb -0.33 -3.00 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 3itt s ARG 76 CO 0.34 -0.52 0.00 0.41 -0.68 0.00 0.00 175.30 174.85 3itt n GLY 77 N 4.58 -0.14 0.35 -3.53 0.00 -1.26 -4.26 105.19 100.94 3itt n GLY 77 Ca -0.15 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.33 3itt n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3itt h ILE 78 N 0.00 0.89 -0.38 -0.61 6.09 -1.88 -2.37 117.51 119.24 3itt h ILE 78 Ca 0.00 -0.14 -0.06 0.00 -1.37 0.00 0.00 64.86 63.29 3itt h ILE 78 Cb 0.00 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 37.72 3itt h ILE 78 CO 0.00 0.08 0.01 -0.26 -3.07 0.00 0.00 178.15 174.90 3itt h PHE 79 N 0.42 0.73 -0.54 2.19 0.04 -1.96 0.80 116.94 118.62 3itt h PHE 79 Ca 0.28 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 3itt h PHE 79 Cb 0.55 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3itt h PHE 79 CO -0.00 0.75 0.12 -0.44 -0.60 0.00 0.00 178.31 178.14 3itt h ASP 80 N 0.50 0.83 -0.55 2.17 3.32 -1.66 -2.27 116.42 118.75 3itt h ASP 80 Ca 0.11 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3itt h ASP 80 Cb 0.46 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3itt h ASP 80 CO 0.02 0.85 0.33 0.11 -1.72 0.00 0.00 179.24 178.83 3itt h LYS 81 N 0.76 0.75 -0.84 3.56 1.57 -1.22 -1.71 116.57 119.44 3itt h LYS 81 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3itt h LYS 81 Cb 0.36 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3itt h LYS 81 CO 0.00 0.54 0.53 -0.07 -0.57 0.00 0.00 179.45 179.89 3itt h LEU 82 N 0.74 0.98 -0.86 2.94 3.38 -0.72 0.12 115.31 121.90 3itt h LEU 82 Ca 0.20 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3itt h LEU 82 Cb -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3itt h LEU 82 CO -0.04 0.74 0.54 0.44 0.09 0.00 0.00 178.44 180.20 3itt h ASP 83 N 1.14 0.86 -0.23 -0.43 3.32 -0.80 -1.32 116.42 118.97 3itt h ASP 83 Ca 0.30 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.17 3itt h ASP 83 Cb -0.09 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3itt h ASP 83 CO -0.06 0.56 -0.62 0.44 -1.72 0.00 0.00 179.24 177.84 3itt h ASP 84 N 1.00 0.94 -0.01 6.45 3.32 -0.49 -3.06 116.42 124.56 3itt h ASP 84 Ca 0.36 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3itt h ASP 84 Cb 0.13 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3itt h ASP 84 CO -0.16 1.34 0.00 0.00 -1.72 0.00 0.00 179.24 178.71 3itt h ALA 86 N 1.97 1.54 -0.03 0.00 0.00 -1.15 -2.50 119.26 119.10 3itt h ALA 86 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3itt h ALA 86 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3itt h ALA 86 CO -0.00 0.34 0.01 0.28 0.00 0.00 0.00 179.25 179.88 3itt h VAL 87 N 0.37 1.15 -0.42 0.00 2.07 -1.35 -0.03 116.25 118.04 3itt h VAL 87 Ca 0.09 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.24 3itt h VAL 87 Cb 0.24 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3itt h VAL 87 CO 0.00 0.12 -0.05 0.40 0.02 0.00 0.00 177.57 178.07 3itt h ILE 88 N -0.14 0.63 -0.55 4.57 2.04 -1.46 -0.61 117.51 121.99 3itt h ILE 88 Ca 0.01 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3itt h ILE 88 Cb 0.19 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3itt h ILE 88 CO -0.00 0.01 0.04 -0.61 0.00 0.00 0.00 178.15 177.59 3itt h GLN 89 N 0.06 0.94 -0.73 2.37 5.75 -1.32 0.66 115.11 122.83 3itt h GLN 89 Ca 0.21 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3itt h GLN 89 Cb 0.31 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3itt h GLN 89 CO -0.39 0.94 0.34 0.37 -2.65 0.00 0.00 178.83 177.43 3itt h GLN 90 N 0.83 1.07 0.07 1.69 4.15 -0.40 0.34 115.11 122.85 3itt h GLN 90 Ca 0.16 -0.17 -0.27 0.00 0.77 0.00 0.00 58.65 59.14 3itt h GLN 90 Cb 0.48 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3itt h GLN 90 CO 0.02 0.85 -1.33 -0.07 -1.93 0.00 0.00 178.83 176.37 3itt h LEU 91 N 1.04 0.23 0.00 -2.39 3.38 -1.03 -3.35 115.31 113.20 3itt h LEU 91 Ca 0.25 -0.29 -0.34 0.00 0.09 0.00 0.00 57.88 57.58 3itt h LEU 91 Cb 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3itt h LEU 91 CO -0.03 1.24 -2.30 0.35 0.09 0.00 0.00 178.44 177.79 3itt n THR 92 N -3.39 1.30 -1.42 0.22 -2.24 0.21 -1.46 114.28 107.50 3itt n THR 92 Ca -0.10 -0.74 -0.15 0.00 -2.27 0.00 0.00 64.05 60.80 3itt n THR 92 Cb 1.01 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 3itt n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itt n ARG 93 N -2.79 -1.35 -0.01 -0.78 5.12 0.12 -4.79 116.66 112.19 3itt n ARG 93 Ca -0.33 1.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.63 3itt n ARG 93 Cb 1.08 -5.27 0.03 0.00 -1.16 0.00 0.00 32.46 27.14 3itt n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3itt n ALA 94 N 1.27 2.46 -3.04 7.54 0.00 -1.26 -4.75 120.51 122.73 3itt n ALA 94 Ca -0.15 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 3itt n ALA 94 Cb 0.56 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3itt n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3itt n THR 95 N 0.39 1.29 0.42 0.00 -2.24 -1.26 -0.73 114.28 112.15 3itt n THR 95 Ca 0.04 -4.93 0.11 0.00 -2.27 0.00 0.00 64.05 57.00 3itt n THR 95 Cb 0.19 -0.71 0.44 0.00 -2.10 0.00 0.00 70.33 68.15 3itt n THR 95 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3itt n PRO 96 N 0.02 0.14 -4.48 -0.78 -0.04 -1.26 -4.44 135.00 124.16 3itt n PRO 96 Ca 0.27 0.38 -0.27 0.00 -0.04 0.00 0.00 63.50 63.84 3itt n PRO 96 Cb 0.56 -1.77 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 3itt n PRO 96 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3itt s ASN 97 N -3.91 2.97 -0.04 3.54 0.01 -1.26 0.37 114.94 116.62 3itt s ASN 97 Ca 0.05 -0.68 0.07 0.00 -0.71 0.00 0.00 52.86 51.59 3itt s ASN 97 Cb 0.09 -0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 3itt s ASN 97 CO 0.35 0.16 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.17 3itt s VAL 98 N -1.01 2.20 -0.20 1.60 1.01 0.12 -1.84 120.40 122.29 3itt s VAL 98 Ca 0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3itt s VAL 98 Cb -0.10 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3itt s VAL 98 CO 0.04 0.58 0.35 -0.55 0.00 0.00 0.00 175.10 175.52 3itt s SER 99 N -0.48 6.41 0.25 3.32 0.15 -0.28 -1.03 113.70 122.04 3itt s SER 99 Ca 0.06 0.47 -0.00 0.00 0.70 0.00 0.00 55.95 57.18 3itt s SER 99 Cb -0.11 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3itt s SER 99 CO 0.01 -0.02 0.44 -0.76 1.20 0.00 0.00 173.24 174.10 3itt s LEU 100 N 1.09 4.17 -0.08 3.45 1.43 -1.24 -1.53 118.68 125.98 3itt s LEU 100 Ca 0.17 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3itt s LEU 100 Cb -0.14 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.90 3itt s LEU 100 CO 0.07 -0.12 -0.10 -2.28 0.23 0.00 0.00 176.35 174.15 3itt s HIS 101 N -2.01 1.43 -0.04 0.29 2.46 -1.26 -1.33 115.29 114.83 3itt s HIS 101 Ca 0.39 -0.60 0.01 0.00 0.47 0.00 0.00 55.06 55.34 3itt s HIS 101 Cb -0.10 -1.11 -0.03 0.00 -0.13 0.00 0.00 32.58 31.21 3itt s HIS 101 CO 0.31 -0.36 -0.05 0.42 -2.47 0.00 0.00 174.74 172.59 3itt s ILE 102 N 1.06 3.80 -1.16 0.89 -1.09 -0.60 0.17 121.20 124.26 3itt s ILE 102 Ca -0.07 -0.57 0.27 0.00 -2.23 0.00 0.00 60.65 58.05 3itt s ILE 102 Cb -0.15 -2.61 0.32 0.00 -1.58 0.00 0.00 42.46 38.45 3itt s ILE 102 CO -0.01 0.50 1.90 -0.81 -1.23 0.00 0.00 174.94 175.30 3itt n PRO 103 N 1.88 0.15 -0.29 2.79 -0.04 -1.26 -2.71 135.00 135.52 3itt n PRO 103 Ca -0.17 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 3itt n PRO 103 Cb 0.53 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.65 3itt n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3itt h TRP 104 N 0.00 -0.18 -0.57 0.54 6.55 -1.93 -0.06 115.95 120.30 3itt h TRP 104 Ca 0.00 0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.91 3itt h TRP 104 Cb 0.39 0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.90 3itt h TRP 104 CO 0.00 -0.32 0.00 -0.25 -1.05 0.00 0.00 178.44 176.82 3itt n ASP 105 N -5.44 3.92 -4.66 -3.49 8.00 0.13 -4.64 116.55 110.37 3itt n ASP 105 Ca 0.15 -2.28 -0.49 0.00 0.71 0.00 0.00 54.79 52.88 3itt n ASP 105 Cb 0.51 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 3itt n ASP 105 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3itt n LYS 106 N 1.04 1.84 -3.57 -1.24 4.81 -0.04 -4.84 118.16 116.16 3itt n LYS 106 Ca 0.22 0.66 -0.07 0.00 -0.87 0.00 0.00 58.31 58.25 3itt n LYS 106 Cb 0.71 -2.41 -0.02 0.00 0.02 0.00 0.00 35.03 33.33 3itt n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3itt s ALA 107 N 1.57 -1.78 0.01 3.14 0.00 -1.26 -4.97 121.76 118.47 3itt s ALA 107 Ca 0.84 0.78 -0.32 0.00 0.00 0.00 0.00 51.96 53.26 3itt s ALA 107 Cb -0.78 0.48 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 3itt s ALA 107 CO 0.45 -0.78 1.90 -3.47 0.00 0.00 0.00 175.76 173.86 3itt n ASP 108 N -0.31 3.86 -0.24 0.00 2.03 -1.26 -4.86 116.55 115.77 3itt n ASP 108 Ca -0.08 0.95 0.02 0.00 0.52 0.00 0.00 54.79 56.19 3itt n ASP 108 Cb 0.62 -1.47 0.10 0.00 -0.72 0.00 0.00 41.12 39.64 3itt n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3itt h PRO 109 N 9.58 0.02 -0.69 -0.67 0.11 -1.96 -0.69 132.00 137.70 3itt h PRO 109 Ca -0.49 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3itt h PRO 109 Cb 1.25 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3itt h PRO 109 CO 0.94 0.02 0.37 0.87 -0.21 0.00 0.00 178.00 179.99 3itt h LYS 110 N 0.03 0.64 -0.58 1.05 1.57 -1.89 0.12 116.57 117.51 3itt h LYS 110 Ca 0.35 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3itt h LYS 110 Cb 0.56 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3itt h LYS 110 CO -0.70 0.43 0.01 0.93 -0.57 0.00 0.00 179.45 179.55 3itt h GLU 111 N 0.66 1.02 0.06 3.15 5.08 -1.54 -0.86 114.58 122.15 3itt h GLU 111 Ca 0.32 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3itt h GLU 111 Cb 0.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3itt h GLU 111 CO -0.22 1.01 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.70 3itt h LEU 112 N 0.91 -0.07 -0.92 1.33 3.38 -0.56 -0.23 115.31 119.15 3itt h LEU 112 Ca 0.17 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3itt h LEU 112 Cb 0.54 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3itt h LEU 112 CO 0.03 0.08 0.59 0.50 0.09 0.00 0.00 178.44 179.73 3itt h LYS 113 N -0.21 1.10 -0.29 1.13 1.63 -0.70 0.18 116.57 119.42 3itt h LYS 113 Ca -0.01 -0.07 -0.19 0.00 -0.85 0.00 0.00 60.65 59.54 3itt h LYS 113 Cb 0.18 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3itt h LYS 113 CO 0.01 0.73 -0.55 0.00 -3.45 0.00 0.00 179.45 176.20 3itt h ALA 114 N 1.39 0.47 -0.56 5.00 0.00 -1.05 -1.16 119.26 123.35 3itt h ALA 114 Ca 0.37 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3itt h ALA 114 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3itt h ALA 114 CO -0.13 0.68 0.24 -0.09 0.00 0.00 0.00 179.25 179.95 3itt h ARG 115 N 0.67 0.83 -0.18 0.00 9.65 -0.48 -0.93 114.38 123.93 3itt h ARG 115 Ca 0.01 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3itt h ARG 115 Cb 1.15 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 3itt h ARG 115 CO 0.12 0.70 0.07 0.78 2.80 0.00 0.00 179.97 184.45 3itt h GLY 116 N 0.76 0.29 1.46 2.80 0.00 -0.54 -2.40 103.07 105.44 3itt h GLY 116 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3itt h GLY 116 CO -0.02 0.14 0.24 -0.55 0.00 0.00 0.00 176.54 176.36 3itt h ASP 117 N 0.14 0.63 0.37 0.19 3.32 -1.02 0.87 116.42 120.92 3itt h ASP 117 Ca 0.06 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3itt h ASP 117 Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3itt h ASP 117 CO -0.01 0.54 -0.46 0.00 -1.72 0.00 0.00 179.24 177.60 3itt h ALA 118 N 1.56 1.15 -0.00 3.45 0.00 -1.00 -2.99 119.26 121.44 3itt h ALA 118 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3itt h ALA 118 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3itt h ALA 118 CO -0.02 0.60 -0.54 1.28 0.00 0.00 0.00 179.25 180.56 3itt n LEU 119 N -3.99 0.60 -0.35 0.00 4.77 -0.88 -4.94 117.00 112.22 3itt n LEU 119 Ca -0.02 -0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.87 3itt n LEU 119 Cb 0.49 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3itt n LEU 119 CO 0.41 0.15 -0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3itt n GLY 120 N 1.49 0.62 3.27 -0.72 0.00 -0.41 -4.92 105.19 104.53 3itt n GLY 120 Ca 0.06 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 3itt n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itt s LEU 121 N -0.72 2.12 0.00 0.99 1.43 0.16 -4.90 118.68 117.76 3itt s LEU 121 Ca 0.01 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3itt s LEU 121 Cb -0.00 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.12 3itt s LEU 121 CO 0.01 0.23 0.28 0.61 0.23 0.00 0.00 176.35 177.71 3itt n GLY 122 N 2.09 2.76 3.10 -3.19 0.00 0.16 -3.89 105.19 106.22 3itt n GLY 122 Ca -0.16 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.33 3itt n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itt s PHE 123 N -1.64 1.94 0.00 1.61 0.08 -1.26 -0.70 117.98 118.00 3itt s PHE 123 Ca 0.21 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.48 3itt s PHE 123 Cb -0.02 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 3itt s PHE 123 CO 0.13 -0.36 0.00 -3.47 -0.10 0.00 0.00 175.22 171.42 3itt n ASP 124 N 3.77 0.00 -4.65 1.36 2.03 -0.19 -4.25 116.55 114.62 3itt n ASP 124 Ca -0.21 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.71 3itt n ASP 124 Cb 0.52 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.96 3itt n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itt n ALA 125 N -3.00 0.60 -2.17 -1.67 0.00 -1.26 -4.56 120.51 108.45 3itt n ALA 125 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 3itt n ALA 125 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.24 3itt n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3itt s MET 126 N -2.51 3.87 -0.13 0.00 -1.94 0.95 -3.63 119.30 115.92 3itt s MET 126 Ca 0.70 0.55 0.01 0.00 -1.71 0.00 0.00 55.69 55.24 3itt s MET 126 Cb -0.46 -2.41 0.02 0.00 2.01 0.00 0.00 34.83 33.99 3itt s MET 126 CO 0.52 0.05 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.62 3itt s ASN 127 N -2.78 2.57 0.58 3.03 0.01 -0.44 0.17 114.94 118.07 3itt s ASN 127 Ca 0.52 -0.46 -0.06 0.00 -0.71 0.00 0.00 52.86 52.16 3itt s ASN 127 Cb -0.10 -1.14 0.01 0.00 0.41 0.00 0.00 41.25 40.42 3itt s ASN 127 CO 0.25 -0.02 0.88 -0.94 -1.51 0.00 0.00 177.10 175.77 3itt s SER 128 N 1.21 5.64 -0.30 -1.22 1.04 -1.18 -1.56 113.70 117.34 3itt s SER 128 Ca -0.01 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 3itt s SER 128 Cb -0.14 -1.73 0.10 0.00 0.10 0.00 0.00 66.02 64.35 3itt s SER 128 CO -0.06 -1.02 0.12 0.21 0.98 0.00 0.00 173.24 173.48 3itt s ASN 129 N -4.29 3.66 -0.21 7.02 3.84 -1.10 -4.73 114.94 119.12 3itt s ASN 129 Ca 0.53 -1.39 0.16 0.00 0.21 0.00 0.00 52.86 52.38 3itt s ASN 129 Cb -0.10 -0.48 0.46 0.00 -0.55 0.00 0.00 41.25 40.58 3itt s ASN 129 CO 0.45 -0.43 1.17 0.35 -2.79 0.00 0.00 177.10 175.84 3itt n THR 130 N 5.13 1.59 -0.05 -5.21 -2.24 -1.26 -4.63 114.28 107.61 3itt n THR 130 Ca -0.05 -3.03 0.02 0.00 -2.27 0.00 0.00 64.05 58.73 3itt n THR 130 Cb 0.42 0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 3itt n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3itt n PHE 131 N -0.52 0.18 -3.64 4.78 1.16 -1.26 -4.57 117.46 113.58 3itt n PHE 131 Ca 0.20 -0.46 -0.11 0.00 -1.87 0.00 0.00 57.45 55.21 3itt n PHE 131 Cb 0.90 -0.04 -0.05 0.00 -1.61 0.00 0.00 39.48 38.68 3itt n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3itt s SER 132 N -0.95 -0.26 -0.19 5.98 1.04 -1.26 -4.91 113.70 113.14 3itt s SER 132 Ca 0.10 -0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 3itt s SER 132 Cb 0.05 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 3itt s SER 132 CO 0.07 -0.78 0.13 -1.81 0.98 0.00 0.00 173.24 171.83 3itt s ASP 133 N -2.47 6.21 0.11 7.02 1.01 -1.26 -4.81 116.67 122.49 3itt s ASP 133 Ca -0.00 0.25 -0.04 0.00 0.71 0.00 0.00 52.55 53.46 3itt s ASP 133 Cb 0.01 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 3itt s ASP 133 CO -0.08 0.20 0.33 0.00 0.21 0.00 0.00 175.17 175.82 3itt s ALA 134 N 0.25 3.85 0.53 5.23 0.00 -1.26 -5.05 121.76 125.31 3itt s ALA 134 Ca 0.08 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 3itt s ALA 134 Cb -0.11 -2.05 -0.08 0.00 0.00 0.00 0.00 23.12 20.88 3itt s ALA 134 CO -0.01 0.71 0.82 -2.30 0.00 0.00 0.00 175.76 174.98 3itt n PRO 135 N 0.20 0.89 -0.82 0.00 -0.02 -1.26 -2.01 135.00 131.99 3itt n PRO 135 Ca -0.04 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3itt n PRO 135 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3itt n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itt n GLY 136 N 1.44 0.43 3.72 -1.23 0.00 -1.26 -4.96 105.19 103.32 3itt n GLY 136 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3itt n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3itt s GLN 137 N -0.64 4.22 0.16 1.61 0.74 -0.85 -4.93 119.66 119.97 3itt s GLN 137 Ca 0.00 2.35 -0.11 0.00 0.05 0.00 0.00 55.36 57.65 3itt s GLN 137 Cb 0.00 -3.16 0.03 0.00 1.10 0.00 0.00 33.01 30.98 3itt s GLN 137 CO 0.00 -0.60 1.59 0.00 -0.55 0.00 0.00 175.29 175.73 3itt h ALA 138 N 6.77 0.71 -3.65 1.58 0.00 -1.93 -3.43 119.26 119.31 3itt h ALA 138 Ca -0.43 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.54 3itt h ALA 138 Cb 1.20 -0.19 -0.32 0.00 0.00 0.00 0.00 17.79 18.48 3itt h ALA 138 CO 0.91 0.57 -0.86 -1.01 0.00 0.00 0.00 179.25 178.86 3itt s HIS 139 N -4.92 2.15 0.33 0.00 3.76 -1.26 -5.13 115.29 110.22 3itt s HIS 139 Ca -0.12 -0.76 -0.24 0.00 -0.15 0.00 0.00 55.06 53.79 3itt s HIS 139 Cb 0.12 -1.45 -0.10 0.00 1.11 0.00 0.00 32.58 32.27 3itt s HIS 139 CO 0.84 -0.29 0.91 0.45 -0.85 0.00 0.00 174.74 175.81 3itt s SER 140 N 0.20 7.21 -0.21 1.40 0.15 -1.26 -4.96 113.70 116.23 3itt s SER 140 Ca -0.11 1.74 0.11 0.00 0.70 0.00 0.00 55.95 58.39 3itt s SER 140 Cb -0.15 -2.54 0.68 0.00 -1.71 0.00 0.00 66.02 62.29 3itt s SER 140 CO 0.05 -0.11 1.56 -1.22 1.20 0.00 0.00 173.24 174.72 3itt n TYR 141 N 0.33 1.80 -0.28 3.44 4.01 -1.26 -4.53 117.16 120.68 3itt n TYR 141 Ca 0.02 -0.68 0.03 0.00 -0.16 0.00 0.00 57.90 57.12 3itt n TYR 141 Cb 0.51 -0.47 0.17 0.00 -0.31 0.00 0.00 39.34 39.24 3itt n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3itt h LYS 142 N 3.15 0.71 -0.49 -0.72 3.64 -1.95 -2.31 116.57 118.59 3itt h LYS 142 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3itt h LYS 142 Cb 1.80 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3itt h LYS 142 CO 0.45 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.76 3itt n TYR 143 N -4.79 1.68 0.00 1.91 4.01 -1.26 -5.05 117.16 113.67 3itt n TYR 143 Ca 0.14 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 3itt n TYR 143 Cb 0.30 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 3itt n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itt n GLY 144 N 0.36 0.93 0.00 2.72 0.00 -0.87 -4.67 105.19 103.66 3itt n GLY 144 Ca 0.26 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3itt n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itt n SER 145 N 1.10 0.00 0.27 1.61 3.41 -1.26 -4.28 113.62 114.47 3itt n SER 145 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3itt n SER 145 Cb 0.00 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.69 3itt n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3itt h LEU 146 N 0.00 0.00 -3.05 1.04 3.38 -1.87 -2.73 115.31 112.08 3itt h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3itt h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3itt h LEU 146 CO 0.00 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 3itt n SER 147 N -3.53 3.07 -4.75 -0.43 3.41 -1.26 -3.96 113.62 106.17 3itt n SER 147 Ca -0.02 -2.51 -0.39 0.00 -0.26 0.00 0.00 58.87 55.70 3itt n SER 147 Cb 0.24 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 63.89 3itt n SER 147 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3itt s HIS 148 N -1.91 2.30 0.37 7.33 5.04 -1.03 -4.81 115.29 122.59 3itt s HIS 148 Ca 0.28 1.34 0.34 0.00 -1.54 0.00 0.00 55.06 55.48 3itt s HIS 148 Cb 0.20 -3.84 1.67 0.00 0.04 0.00 0.00 32.58 30.65 3itt s HIS 148 CO 0.09 -2.96 2.12 1.79 -2.34 0.00 0.00 174.74 173.44 3itt h THR 149 N 1.61 0.23 -3.40 0.89 1.35 -1.92 -3.42 112.91 108.25 3itt h THR 149 Ca -0.51 -0.41 -0.59 0.00 -0.55 0.00 0.00 66.41 64.35 3itt h THR 149 Cb 1.29 1.32 -0.09 0.00 -1.73 0.00 0.00 68.15 68.95 3itt h THR 149 CO 0.58 0.05 0.17 0.21 -0.25 0.00 0.00 175.52 176.28 3itt s ASN 150 N -5.74 6.72 0.14 5.36 2.47 -1.26 -4.98 114.94 117.66 3itt s ASN 150 Ca -0.02 0.87 -0.19 0.00 0.42 0.00 0.00 52.86 53.94 3itt s ASN 150 Cb 0.12 -2.36 0.02 0.00 -1.45 0.00 0.00 41.25 37.58 3itt s ASN 150 CO 0.53 -0.30 1.68 0.00 -3.72 0.00 0.00 177.10 175.29 3itt h ALA 151 N 7.49 0.14 0.00 1.71 0.00 -2.00 -1.63 119.26 124.98 3itt h ALA 151 Ca -0.31 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3itt h ALA 151 Cb 1.14 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3itt h ALA 151 CO 0.78 -0.49 -0.07 0.00 0.00 0.00 0.00 179.25 179.47 3itt h ALA 152 N 1.21 1.84 -0.17 0.00 0.00 -1.96 -0.80 119.26 119.39 3itt h ALA 152 Ca 0.14 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3itt h ALA 152 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3itt h ALA 152 CO -0.30 0.09 -0.55 1.15 0.00 0.00 0.00 179.25 179.64 3itt h THR 153 N 0.00 1.33 -0.27 0.00 2.02 -1.67 -1.96 112.91 112.35 3itt h THR 153 Ca -0.00 -1.81 -0.17 0.00 0.77 0.00 0.00 66.41 65.19 3itt h THR 153 Cb 0.13 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3itt h THR 153 CO 0.01 0.56 -0.51 0.03 0.37 0.00 0.00 175.52 175.98 3itt h ARG 154 N 0.38 0.78 -0.50 6.66 3.08 -0.70 -2.54 114.38 121.55 3itt h ARG 154 Ca 0.01 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 3itt h ARG 154 Cb 1.09 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3itt h ARG 154 CO 0.10 1.10 0.04 0.00 -1.07 0.00 0.00 179.97 180.14 3itt h ALA 155 N 0.81 1.12 -0.49 0.04 0.00 -1.08 -0.16 119.26 119.50 3itt h ALA 155 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3itt h ALA 155 Cb 1.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3itt h ALA 155 CO 0.11 0.57 -0.03 0.37 0.00 0.00 0.00 179.25 180.27 3itt h GLN 156 N 0.77 0.89 -0.56 0.00 4.15 -1.29 0.81 115.11 119.88 3itt h GLN 156 Ca 0.15 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 3itt h GLN 156 Cb 0.41 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3itt h GLN 156 CO 0.01 0.94 0.06 0.00 -1.93 0.00 0.00 178.83 177.91 3itt h ALA 157 N 0.92 0.75 0.07 3.38 0.00 -1.07 -1.13 119.26 122.18 3itt h ALA 157 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3itt h ALA 157 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3itt h ALA 157 CO 0.03 0.53 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 3itt h VAL 158 N 0.85 1.04 -0.98 0.00 2.07 -0.84 -2.17 116.25 116.21 3itt h VAL 158 Ca 0.17 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.43 3itt h VAL 158 Cb 0.47 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 3itt h VAL 158 CO 0.02 0.09 0.63 -0.08 0.02 0.00 0.00 177.57 178.24 3itt h GLU 159 N -0.25 1.00 -0.41 1.57 4.57 -0.71 -1.37 114.58 118.97 3itt h GLU 159 Ca -0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3itt h GLU 159 Cb 0.22 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3itt h GLU 159 CO 0.02 0.66 0.26 1.25 -1.18 0.00 0.00 179.01 180.01 3itt h HIS 160 N 1.03 0.53 -0.66 0.92 2.76 -0.92 -1.68 115.15 117.12 3itt h HIS 160 Ca 0.46 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.59 3itt h HIS 160 Cb 0.38 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 3itt h HIS 160 CO -0.00 0.36 0.22 -0.91 -1.30 0.00 0.00 177.93 176.30 3itt h ASN 161 N 0.54 0.93 -0.79 3.26 2.35 -0.68 -1.83 115.58 119.37 3itt h ASN 161 Ca 0.15 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3itt h ASN 161 Cb -0.02 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 3itt h ASN 161 CO -0.03 0.86 0.41 -0.07 -1.65 0.00 0.00 177.43 176.95 3itt h LEU 162 N 0.97 1.00 -1.28 1.61 3.38 -0.94 -1.41 115.31 118.64 3itt h LEU 162 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3itt h LEU 162 Cb 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3itt h LEU 162 CO -0.01 0.83 0.44 -0.08 0.09 0.00 0.00 178.44 179.71 3itt h GLU 163 N 1.10 0.92 -0.62 1.13 4.81 -0.71 -1.03 114.58 120.18 3itt h GLU 163 Ca 0.27 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3itt h GLU 163 Cb 0.07 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3itt h GLU 163 CO -0.04 0.63 0.19 0.00 -0.73 0.00 0.00 179.01 179.06 3itt h ILE 165 N 0.92 1.24 -0.40 0.00 2.04 -0.52 -0.52 117.51 120.26 3itt h ILE 165 Ca 0.20 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3itt h ILE 165 Cb 0.27 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3itt h ILE 165 CO -0.01 0.29 0.21 -0.33 0.00 0.00 0.00 178.15 178.31 3itt h GLU 166 N 0.49 0.41 -0.62 2.37 4.39 -0.77 0.13 114.58 120.98 3itt h GLU 166 Ca 0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3itt h GLU 166 Cb 0.35 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3itt h GLU 166 CO 0.01 0.27 0.35 0.82 -1.16 0.00 0.00 179.01 179.30 3itt h ILE 167 N 0.42 1.19 -0.38 3.13 2.04 -1.05 -2.79 117.51 120.07 3itt h ILE 167 Ca 0.17 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3itt h ILE 167 Cb 0.06 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3itt h ILE 167 CO -0.11 0.20 0.19 1.23 0.00 0.00 0.00 178.15 179.66 3itt h GLY 168 N 0.84 0.58 0.62 5.37 0.00 -0.37 -2.72 103.07 107.39 3itt h GLY 168 Ca 0.22 -0.28 0.12 0.00 0.00 0.00 0.00 47.33 47.38 3itt h GLY 168 CO -0.04 0.27 0.58 0.50 0.00 0.00 0.00 176.54 177.85 3itt h LYS 169 N 0.47 0.81 0.00 4.80 1.57 -0.58 -0.37 116.57 123.27 3itt h LYS 169 Ca 0.13 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3itt h LYS 169 Cb 0.11 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3itt h LYS 169 CO -0.02 0.54 -0.27 0.00 -0.57 0.00 0.00 179.45 179.13 3itt h ALA 170 N 1.57 1.00 -0.02 3.86 0.00 -1.23 -3.28 119.26 121.16 3itt h ALA 170 Ca 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3itt h ALA 170 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3itt h ALA 170 CO -0.20 0.34 -0.13 0.44 0.00 0.00 0.00 179.25 179.70 3itt n ILE 171 N -3.42 0.00 0.00 0.00 -5.35 -0.77 -4.88 119.36 104.94 3itt n ILE 171 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3itt n ILE 171 Cb 0.46 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 3itt n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3itt n GLY 172 N 0.99 1.16 3.85 3.28 0.00 -0.84 -4.65 105.19 108.98 3itt n GLY 172 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3itt n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3itt s SER 173 N -2.00 6.27 -0.03 1.61 0.15 -0.22 -4.79 113.70 114.69 3itt s SER 173 Ca 0.00 1.52 0.05 0.00 0.70 0.00 0.00 55.95 58.22 3itt s SER 173 Cb 0.00 -2.49 0.08 0.00 -1.71 0.00 0.00 66.02 61.90 3itt s SER 173 CO 0.00 -0.84 1.04 0.29 1.20 0.00 0.00 173.24 174.94 3itt n LYS 174 N -2.31 0.29 -3.54 5.44 4.76 -1.26 -4.45 118.16 117.08 3itt n LYS 174 Ca 0.07 -1.41 -0.10 0.00 -2.87 0.00 0.00 58.31 54.00 3itt n LYS 174 Cb 0.54 -0.70 -0.04 0.00 -1.84 0.00 0.00 35.03 32.99 3itt n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3itt s ALA 175 N -0.65 -1.87 -0.15 7.82 0.00 -1.26 -1.61 121.76 124.04 3itt s ALA 175 Ca 0.09 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3itt s ALA 175 Cb 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.04 3itt s ALA 175 CO -0.00 -0.47 -0.16 -1.17 0.00 0.00 0.00 175.76 173.96 3itt s LEU 176 N -1.67 1.84 -0.13 0.00 2.96 -0.72 -0.03 118.68 120.92 3itt s LEU 176 Ca 0.00 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 3itt s LEU 176 Cb -0.01 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 3itt s LEU 176 CO -0.02 -0.02 0.27 -0.89 -1.32 0.00 0.00 176.35 174.38 3itt s THR 177 N 1.29 5.30 -0.28 3.68 2.01 0.13 -0.94 115.64 126.82 3itt s THR 177 Ca 0.02 0.51 0.03 0.00 0.31 0.00 0.00 61.69 62.56 3itt s THR 177 Cb -0.13 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 68.86 3itt s THR 177 CO -0.09 0.46 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.57 3itt s VAL 178 N -0.03 2.04 -0.11 3.82 1.01 0.14 -3.09 120.40 124.17 3itt s VAL 178 Ca 0.17 -1.79 0.03 0.00 0.00 0.00 0.00 61.98 60.38 3itt s VAL 178 Cb -0.13 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3itt s VAL 178 CO 0.05 -0.26 -0.20 0.86 0.00 0.00 0.00 175.10 175.55 3itt s TRP 179 N 1.11 2.32 0.21 5.22 -0.00 -1.26 -1.89 118.94 124.65 3itt s TRP 179 Ca -0.01 -1.03 0.05 0.00 -0.00 0.00 0.00 56.10 55.11 3itt s TRP 179 Cb -0.19 -1.59 -0.05 0.00 -0.00 0.00 0.00 33.47 31.63 3itt s TRP 179 CO -0.07 -0.46 -0.07 0.96 -0.00 0.00 0.00 176.95 177.31 3itt s ILE 180 N 0.64 1.31 -0.96 5.86 -4.36 -1.26 -4.72 121.20 117.69 3itt s ILE 180 Ca -0.13 -2.09 0.25 0.00 -0.26 0.00 0.00 60.65 58.42 3itt s ILE 180 Cb -0.16 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 3itt s ILE 180 CO 0.03 -0.49 1.35 0.61 0.24 0.00 0.00 174.94 176.68 3itt n GLY 181 N -0.37 -1.24 2.72 6.27 0.00 -1.26 -4.96 105.19 106.35 3itt n GLY 181 Ca -0.07 -0.37 -0.48 0.00 0.00 0.00 0.00 46.02 45.10 3itt n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3itt n ASP 182 N -1.55 0.65 0.00 1.61 9.92 -1.26 -4.10 116.55 121.82 3itt n ASP 182 Ca 0.05 0.87 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 3itt n ASP 182 Cb 0.34 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 3itt n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3itt n GLY 183 N 2.46 -0.55 3.09 0.44 0.00 -1.26 -1.96 105.19 107.41 3itt n GLY 183 Ca 0.21 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3itt n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3itt s SER 184 N -4.00 0.56 0.00 1.61 1.04 0.12 -4.88 113.70 108.15 3itt s SER 184 Ca 0.00 -0.95 0.11 0.00 0.48 0.00 0.00 55.95 55.59 3itt s SER 184 Cb 0.00 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.34 3itt s SER 184 CO 0.00 -0.55 0.76 0.59 0.98 0.00 0.00 173.24 175.02 3itt n ASN 185 N 0.25 1.61 -3.84 7.02 4.13 -1.26 -1.27 115.26 121.89 3itt n ASN 185 Ca -0.15 -1.30 -0.12 0.00 1.68 0.00 0.00 54.58 54.69 3itt n ASN 185 Cb 0.60 0.23 -0.13 0.00 -1.54 0.00 0.00 39.78 38.95 3itt n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3itt s PHE 186 N -1.17 -0.09 0.39 3.10 0.08 -1.26 -4.43 117.98 114.60 3itt s PHE 186 Ca 0.11 0.21 -0.28 0.00 0.12 0.00 0.00 56.93 57.10 3itt s PHE 186 Cb 0.09 0.02 -0.10 0.00 -0.57 0.00 0.00 43.02 42.46 3itt s PHE 186 CO 0.20 -0.08 1.46 -2.14 -0.10 0.00 0.00 175.22 174.56 3itt s PRO 187 N -0.14 4.05 0.00 0.24 0.02 -1.26 -1.91 135.00 136.00 3itt s PRO 187 Ca -0.02 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3itt s PRO 187 Cb -0.02 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3itt s PRO 187 CO 0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3itt n GLY 188 N 0.51 2.80 0.30 0.52 0.00 -1.26 -4.86 105.19 103.20 3itt n GLY 188 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3itt n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3itt h GLN 189 N 0.25 0.66 -6.74 1.61 4.15 -1.82 -3.42 115.11 109.80 3itt h GLN 189 Ca 0.00 -0.04 -0.67 0.00 0.77 0.00 0.00 58.65 58.71 3itt h GLN 189 Cb 0.00 -0.15 -0.20 0.00 0.21 0.00 0.00 27.48 27.34 3itt h GLN 189 CO 0.00 0.44 -0.85 -1.12 -1.93 0.00 0.00 178.83 175.37 3itt s SER 190 N -5.51 3.34 -0.47 -0.69 0.01 -1.26 -5.09 113.70 104.02 3itt s SER 190 Ca -0.12 -0.80 -0.15 0.00 1.31 0.00 0.00 55.95 56.18 3itt s SER 190 Cb 0.20 -0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.27 3itt s SER 190 CO 0.78 0.15 0.40 0.21 0.41 0.00 0.00 173.24 175.18 3itt s ASN 191 N -2.34 6.15 0.25 2.44 3.84 -1.26 -4.97 114.94 119.05 3itt s ASN 191 Ca 0.17 -1.34 -0.12 0.00 0.21 0.00 0.00 52.86 51.77 3itt s ASN 191 Cb -0.09 -2.18 0.34 0.00 -0.55 0.00 0.00 41.25 38.77 3itt s ASN 191 CO 0.08 -0.65 1.57 -0.26 -2.79 0.00 0.00 177.10 175.04 3itt h PHE 192 N 8.76 -0.71 -0.25 0.43 0.04 -1.98 -0.99 116.94 122.23 3itt h PHE 192 Ca -0.28 0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.51 3itt h PHE 192 Cb 1.11 0.45 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 3itt h PHE 192 CO 0.64 -0.40 -0.09 1.15 -0.60 0.00 0.00 178.31 179.01 3itt h THR 193 N -0.01 1.29 -0.56 -1.55 2.02 -1.99 -2.43 112.91 109.67 3itt h THR 193 Ca 0.40 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 3itt h THR 193 Cb 0.65 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3itt h THR 193 CO -0.95 0.35 0.07 0.03 0.37 0.00 0.00 175.52 175.39 3itt h ARG 194 N 0.24 0.95 -0.79 6.66 3.08 -1.85 -0.65 114.38 122.01 3itt h ARG 194 Ca 0.06 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3itt h ARG 194 Cb 0.57 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3itt h ARG 194 CO 0.03 0.92 0.52 0.00 -1.07 0.00 0.00 179.97 180.37 3itt h ALA 195 N 0.99 1.42 -0.24 0.04 0.00 -1.22 -0.57 119.26 119.69 3itt h ALA 195 Ca 0.17 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3itt h ALA 195 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3itt h ALA 195 CO 0.02 0.53 -0.63 0.35 0.00 0.00 0.00 179.25 179.52 3itt h PHE 196 N 1.08 1.09 -0.89 0.00 3.57 -1.09 -1.99 116.94 118.71 3itt h PHE 196 Ca 0.29 -0.42 0.02 0.00 3.53 0.00 0.00 57.97 61.39 3itt h PHE 196 Cb -0.12 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 3itt h PHE 196 CO 0.00 1.26 0.58 0.93 -2.23 0.00 0.00 178.31 178.85 3itt h GLU 197 N 0.61 1.13 -0.62 1.11 5.08 -0.55 0.66 114.58 122.00 3itt h GLU 197 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3itt h GLU 197 Cb 1.25 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3itt h GLU 197 CO 0.14 0.75 0.11 0.00 -1.00 0.00 0.00 179.01 179.01 3itt h ARG 198 N 1.17 1.03 -0.41 2.33 3.08 -1.01 -1.87 114.38 118.69 3itt h ARG 198 Ca 0.34 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3itt h ARG 198 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3itt h ARG 198 CO -0.09 0.95 0.09 -0.92 -1.07 0.00 0.00 179.97 178.93 3itt h TYR 199 N 0.94 0.70 -0.63 3.04 5.03 -0.65 -1.88 116.97 123.53 3itt h TYR 199 Ca 0.19 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 3itt h TYR 199 Cb 0.42 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 3itt h TYR 199 CO 0.03 0.67 0.29 -0.07 -1.32 0.00 0.00 178.16 177.76 3itt h LEU 200 N 0.53 0.80 -0.26 2.82 3.38 -0.74 -0.55 115.31 121.30 3itt h LEU 200 Ca 0.13 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3itt h LEU 200 Cb 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3itt h LEU 200 CO 0.00 0.69 -0.36 -1.28 0.09 0.00 0.00 178.44 177.58 3itt h SER 201 N 0.89 0.77 -0.54 -0.43 0.87 -1.18 -2.35 113.55 111.58 3itt h SER 201 Ca 0.22 -0.50 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 3itt h SER 201 Cb 0.11 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3itt h SER 201 CO -0.03 1.12 -0.06 0.00 -0.53 0.00 0.00 176.83 177.34 3itt h ALA 202 N 0.67 0.73 0.00 6.23 0.00 -1.07 -2.65 119.26 123.17 3itt h ALA 202 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3itt h ALA 202 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3itt h ALA 202 CO 0.08 0.60 -0.22 0.52 0.00 0.00 0.00 179.25 180.23 3itt h MET 203 N 0.86 0.00 -0.24 0.00 2.07 -1.10 -1.77 114.93 114.75 3itt h MET 203 Ca 0.15 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.69 3itt h MET 203 Cb 0.61 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.33 3itt h MET 203 CO 0.04 0.22 -0.22 0.00 1.07 0.00 0.00 176.91 178.02 3itt h ALA 204 N 1.78 1.18 -0.31 6.32 0.00 -1.07 0.20 119.26 127.36 3itt h ALA 204 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3itt h ALA 204 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3itt h ALA 204 CO 0.03 0.52 -0.29 0.93 0.00 0.00 0.00 179.25 180.45 3itt h GLU 205 N 0.39 0.75 -0.68 0.00 5.08 -1.14 -2.57 114.58 116.41 3itt h GLU 205 Ca 0.06 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 3itt h GLU 205 Cb 0.61 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3itt h GLU 205 CO 0.04 1.01 0.13 0.82 -1.00 0.00 0.00 179.01 180.01 3itt h ILE 206 N 0.51 1.26 -0.88 3.13 2.04 -1.07 -2.71 117.51 119.80 3itt h ILE 206 Ca 0.05 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 64.96 3itt h ILE 206 Cb 0.86 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3itt h ILE 206 CO 0.07 0.38 0.57 0.22 0.00 0.00 0.00 178.15 179.40 3itt h TYR 207 N 1.05 1.01 -0.01 1.37 5.03 -0.84 -1.63 116.97 122.95 3itt h TYR 207 Ca 0.21 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3itt h TYR 207 Cb 0.42 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.36 3itt h TYR 207 CO 0.03 0.54 0.01 0.87 -1.32 0.00 0.00 178.16 178.29 3itt h LYS 208 N 1.00 0.00 -0.47 1.82 1.57 -1.11 -1.87 116.57 117.50 3itt h LYS 208 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3itt h LYS 208 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3itt h LYS 208 CO -0.13 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.16 3itt n GLY 209 N -1.36 1.15 3.71 3.86 0.00 -0.61 -4.91 105.19 107.02 3itt n GLY 209 Ca -0.03 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 3itt n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itt s LEU 210 N -1.09 4.31 1.24 0.99 1.43 -0.71 -5.00 118.68 119.86 3itt s LEU 210 Ca 0.28 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.49 3itt s LEU 210 Cb 0.16 -3.19 0.30 0.00 0.03 0.00 0.00 46.19 43.49 3itt s LEU 210 CO 0.17 -0.17 1.01 -2.84 0.23 0.00 0.00 176.35 174.75 3itt s PRO 211 N 0.96 -1.48 0.40 1.29 0.02 -1.26 -4.88 135.00 130.04 3itt s PRO 211 Ca 0.40 0.50 0.12 0.00 0.02 0.00 0.00 61.00 62.05 3itt s PRO 211 Cb -0.18 -1.52 0.81 0.00 0.02 0.00 0.00 34.50 33.63 3itt s PRO 211 CO 0.20 -4.01 1.89 -0.44 -0.33 0.00 0.00 177.00 174.31 3itt h ASP 212 N -2.81 0.06 -0.53 2.53 3.32 -2.00 -2.97 116.42 114.00 3itt h ASP 212 Ca -0.55 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.48 3itt h ASP 212 Cb 1.34 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3itt h ASP 212 CO 0.44 0.32 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 3itt n ASP 213 N -4.20 4.86 -4.96 6.45 5.75 -1.26 -4.98 116.55 118.21 3itt n ASP 213 Ca -0.02 -2.71 -0.22 0.00 -0.01 0.00 0.00 54.79 51.83 3itt n ASP 213 Cb 0.33 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.81 3itt n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3itt s TRP 214 N -2.33 3.46 0.18 2.11 0.52 -1.13 -4.89 118.94 116.87 3itt s TRP 214 Ca 0.49 0.04 0.11 0.00 0.02 0.00 0.00 56.10 56.76 3itt s TRP 214 Cb 0.35 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 3itt s TRP 214 CO 0.18 0.43 -0.23 0.15 0.02 0.00 0.00 176.95 177.49 3itt s LYS 215 N -3.85 1.47 -0.25 4.98 -0.14 -0.63 -4.84 119.74 116.48 3itt s LYS 215 Ca 0.35 -1.49 0.02 0.00 -1.36 0.00 0.00 55.97 53.48 3itt s LYS 215 Cb -0.09 -1.78 0.06 0.00 -1.68 0.00 0.00 37.83 34.34 3itt s LYS 215 CO 0.29 0.39 -0.07 -1.17 -0.76 0.00 0.00 175.35 174.03 3itt s LEU 216 N -2.61 3.01 -0.19 3.17 2.96 0.28 -1.76 118.68 123.54 3itt s LEU 216 Ca 0.19 -1.31 -0.10 0.00 -0.22 0.00 0.00 54.13 52.70 3itt s LEU 216 Cb -0.08 -1.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 3itt s LEU 216 CO 0.09 -0.22 0.14 -0.36 -1.32 0.00 0.00 176.35 174.68 3itt s PHE 217 N 1.26 3.42 -0.14 5.38 0.08 -0.12 -1.68 117.98 126.19 3itt s PHE 217 Ca -0.07 0.35 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 3itt s PHE 217 Cb -0.19 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3itt s PHE 217 CO -0.06 0.32 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.78 3itt s SER 218 N 0.28 4.64 -0.25 1.36 1.04 -0.96 0.23 113.70 120.04 3itt s SER 218 Ca 0.09 -0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 3itt s SER 218 Cb -0.11 -1.65 -0.00 0.00 0.10 0.00 0.00 66.02 64.36 3itt s SER 218 CO -0.01 0.20 0.01 -0.70 0.98 0.00 0.00 173.24 173.72 3itt s GLU 219 N 0.14 3.30 0.46 4.02 2.12 -0.79 -1.72 118.70 126.24 3itt s GLU 219 Ca -0.02 -0.69 -0.13 0.00 0.36 0.00 0.00 54.97 54.49 3itt s GLU 219 Cb -0.14 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.02 3itt s GLU 219 CO 0.03 -0.28 0.86 -3.38 -0.54 0.00 0.00 175.26 171.96 3itt s HIS 220 N 1.49 3.47 -0.23 5.30 -3.43 -1.26 -4.69 115.29 115.95 3itt s HIS 220 Ca 0.04 1.21 -0.13 0.00 -0.80 0.00 0.00 55.06 55.38 3itt s HIS 220 Cb -0.15 -2.58 0.07 0.00 -1.43 0.00 0.00 32.58 28.48 3itt s HIS 220 CO -0.01 -0.24 0.57 0.21 -2.00 0.00 0.00 174.74 173.27 3itt s LYS 221 N -4.03 0.57 0.20 -0.38 2.20 -0.51 -4.75 119.74 113.04 3itt s LYS 221 Ca 0.54 1.04 -0.11 0.00 -0.36 0.00 0.00 55.97 57.09 3itt s LYS 221 Cb -0.10 0.08 0.14 0.00 -1.51 0.00 0.00 37.83 36.44 3itt s LYS 221 CO 0.33 -0.16 1.86 1.98 -0.36 0.00 0.00 175.35 179.01 3itt h MET 222 N 7.08 0.95 -2.57 4.03 1.85 -1.17 -3.36 114.93 121.75 3itt h MET 222 Ca -0.33 -0.07 0.14 0.00 -0.61 0.00 0.00 59.70 58.84 3itt h MET 222 Cb 1.21 -0.21 -0.07 0.00 0.43 0.00 0.00 31.60 32.96 3itt h MET 222 CO 0.22 0.64 0.40 1.52 -0.40 0.00 0.00 176.91 179.29 3itt s TYR 223 N -6.09 -0.14 0.02 1.39 1.13 -1.26 -4.51 117.35 107.89 3itt s TYR 223 Ca -0.13 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 3itt s TYR 223 Cb 0.14 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.67 3itt s TYR 223 CO 0.78 -0.98 0.00 -1.91 -2.51 0.00 0.00 175.55 170.93 3itt n GLU 224 N -0.47 -0.83 0.15 -3.49 2.13 -1.26 -4.80 120.64 112.06 3itt n GLU 224 Ca -0.05 1.02 0.13 0.00 0.66 0.00 0.00 57.16 58.91 3itt n GLU 224 Cb 0.60 -0.93 0.53 0.00 0.27 0.00 0.00 31.44 31.91 3itt n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3itt h PRO 225 N 0.66 0.00 -6.03 5.31 0.13 -1.93 -3.49 132.00 126.66 3itt h PRO 225 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 3itt h PRO 225 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3itt h PRO 225 CO 0.00 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.07 3itt s ALA 226 N -3.39 3.42 -1.49 -0.56 0.00 -1.26 -4.96 121.76 113.52 3itt s ALA 226 Ca 0.03 0.12 0.17 0.00 0.00 0.00 0.00 51.96 52.29 3itt s ALA 226 Cb 0.09 -3.16 0.49 0.00 0.00 0.00 0.00 23.12 20.54 3itt s ALA 226 CO 0.39 -0.44 1.41 1.19 0.00 0.00 0.00 175.76 178.31 3itt n PHE 227 N 4.65 0.75 0.04 0.00 3.72 -1.22 -4.53 117.46 120.87 3itt n PHE 227 Ca 0.03 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3itt n PHE 227 Cb 0.50 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3itt n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3itt n TYR 228 N 1.13 -0.38 -3.93 1.38 9.36 -0.40 -4.92 117.16 119.39 3itt n TYR 228 Ca 0.19 0.07 -0.10 0.00 3.32 0.00 0.00 57.90 61.37 3itt n TYR 228 Cb 0.54 0.15 -0.10 0.00 -0.63 0.00 0.00 39.34 39.30 3itt n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3itt s SER 229 N -5.37 0.15 -0.03 2.98 1.04 -0.53 -4.97 113.70 106.97 3itt s SER 229 Ca 0.00 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3itt s SER 229 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3itt s SER 229 CO 0.00 -0.35 -0.11 -0.89 0.98 0.00 0.00 173.24 172.87 3itt s THR 230 N -1.54 0.98 0.10 2.02 2.01 -1.26 0.13 115.64 118.08 3itt s THR 230 Ca -0.14 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 3itt s THR 230 Cb -0.08 -0.86 -0.11 0.00 0.01 0.00 0.00 72.50 71.46 3itt s THR 230 CO -0.00 0.30 1.63 0.58 -0.69 0.00 0.00 174.62 176.43 3itt h VAL 231 N 5.33 0.38 -3.10 3.82 2.07 -1.74 -2.99 116.25 120.03 3itt h VAL 231 Ca -0.33 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.39 3itt h VAL 231 Cb 1.17 0.38 -0.28 0.00 -1.52 0.00 0.00 31.29 31.04 3itt h VAL 231 CO 0.48 0.00 0.66 0.52 0.02 0.00 0.00 177.57 179.25 3itt n VAL 232 N -5.41 5.05 0.09 2.57 0.31 -1.26 -4.83 118.33 114.85 3itt n VAL 232 Ca -0.08 -5.76 -0.12 0.00 -0.01 0.00 0.00 64.34 58.37 3itt n VAL 232 Cb 0.31 -2.23 -0.10 0.00 -0.91 0.00 0.00 33.84 30.91 3itt n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3itt h GLN 233 N 5.78 0.19 0.00 5.55 -0.00 -1.67 -1.35 115.11 123.61 3itt h GLN 233 Ca 0.19 -0.29 -0.26 0.00 -0.00 0.00 0.00 58.65 58.30 3itt h GLN 233 Cb 0.69 0.10 -0.06 0.00 -0.00 0.00 0.00 27.48 28.21 3itt h GLN 233 CO 1.23 1.10 -0.18 -0.40 -0.00 0.00 0.00 178.83 180.59 3itt n ASP 234 N -3.52 -0.93 0.24 0.06 5.68 -1.26 -2.27 116.55 114.54 3itt n ASP 234 Ca -0.05 -2.53 0.10 0.00 -0.50 0.00 0.00 54.79 51.81 3itt n ASP 234 Cb 0.95 1.81 0.59 0.00 -1.14 0.00 0.00 41.12 43.32 3itt n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3itt h TRP 235 N 1.80 0.00 -0.17 2.11 5.08 -1.95 -0.68 115.95 122.14 3itt h TRP 235 Ca -0.20 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.75 3itt h TRP 235 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 3itt h TRP 235 CO 0.00 0.20 0.05 0.78 -1.28 0.00 0.00 178.44 178.18 3itt h GLY 236 N 1.15 0.28 1.25 11.11 0.00 -1.99 0.43 103.07 115.30 3itt h GLY 236 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3itt h GLY 236 CO 0.03 0.16 -0.19 -0.84 0.00 0.00 0.00 176.54 175.69 3itt h THR 237 N 0.08 1.27 -0.62 4.70 2.02 -1.89 -2.39 112.91 116.08 3itt h THR 237 Ca 0.05 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 3itt h THR 237 Cb 0.24 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3itt h THR 237 CO -0.00 0.45 0.36 -1.13 0.37 0.00 0.00 175.52 175.57 3itt h ASN 238 N 0.75 0.76 -0.66 4.18 -0.73 -0.72 -1.45 115.58 117.70 3itt h ASN 238 Ca 0.11 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 3itt h ASN 238 Cb 0.72 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 3itt h ASN 238 CO 0.06 0.61 0.25 0.22 -0.37 0.00 0.00 177.43 178.20 3itt h TYR 239 N 0.84 1.02 -0.49 0.67 3.20 0.00 -1.58 116.97 120.63 3itt h TYR 239 Ca 0.22 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3itt h TYR 239 Cb -0.00 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3itt h TYR 239 CO -0.02 0.80 0.33 -0.07 -1.64 0.00 0.00 178.16 177.56 3itt h LEU 240 N 0.94 0.46 0.22 2.82 3.38 -0.90 -0.03 115.31 122.20 3itt h LEU 240 Ca 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3itt h LEU 240 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3itt h LEU 240 CO -0.02 0.32 -0.11 0.40 0.09 0.00 0.00 178.44 179.12 3itt h ILE 241 N 0.53 0.80 -0.54 1.22 2.04 -0.58 -1.99 117.51 118.99 3itt h ILE 241 Ca 0.20 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3itt h ILE 241 Cb 0.14 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3itt h ILE 241 CO -0.05 0.17 0.27 0.00 0.00 0.00 0.00 178.15 178.54 3itt h ALA 242 N -0.22 0.70 -0.18 1.87 0.00 -1.01 -0.05 119.26 120.37 3itt h ALA 242 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itt h ALA 242 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3itt h ALA 242 CO 0.05 -0.09 0.11 0.37 0.00 0.00 0.00 179.25 179.69 3itt h GLN 243 N 0.51 0.24 -0.67 0.00 4.15 -1.08 -2.57 115.11 115.69 3itt h GLN 243 Ca 0.24 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 3itt h GLN 243 Cb 0.17 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3itt h GLN 243 CO -0.18 0.20 0.24 1.15 -1.93 0.00 0.00 178.83 178.31 3itt h THR 244 N 0.21 1.25 -0.21 2.39 2.02 -0.91 -3.28 112.91 114.38 3itt h THR 244 Ca 0.06 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 3itt h THR 244 Cb 0.03 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3itt h THR 244 CO -0.01 0.32 -0.20 -0.07 0.37 0.00 0.00 175.52 175.93 3itt h LEU 245 N 0.97 0.54 0.00 2.58 3.38 -0.95 -3.50 115.31 118.32 3itt h LEU 245 Ca 0.22 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3itt h LEU 245 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3itt h LEU 245 CO -0.01 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.03 3itt n GLY 246 N 0.17 1.69 0.34 0.83 0.00 -0.97 -4.91 105.19 102.32 3itt n GLY 246 Ca -0.05 -1.89 0.18 0.00 0.00 0.00 0.00 46.02 44.26 3itt n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3itt h PRO 247 N 0.00 0.00 0.00 1.61 0.13 -1.90 -1.20 132.00 130.64 3itt h PRO 247 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3itt h PRO 247 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3itt h PRO 247 CO 0.00 0.00 -0.22 1.63 -0.23 0.00 0.00 178.00 179.18 3itt n LYS 248 N -3.53 0.07 -3.77 0.86 5.02 -1.26 -4.82 118.16 110.74 3itt n LYS 248 Ca 0.00 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 3itt n LYS 248 Cb 0.29 -1.57 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 3itt n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itt s ALA 249 N -3.04 3.62 0.18 7.82 0.00 -0.45 -0.56 121.76 129.33 3itt s ALA 249 Ca 0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3itt s ALA 249 Cb 0.17 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3itt s ALA 249 CO 0.61 0.09 0.11 -0.65 0.00 0.00 0.00 175.76 175.91 3itt s GLN 250 N 0.51 1.13 -0.02 0.00 -0.21 -0.67 -4.72 119.66 115.69 3itt s GLN 250 Ca 0.07 -1.58 -0.10 0.00 0.02 0.00 0.00 55.36 53.77 3itt s GLN 250 Cb -0.12 0.23 -0.05 0.00 1.00 0.00 0.00 33.01 34.07 3itt s GLN 250 CO -0.00 -0.34 0.30 0.00 -2.12 0.00 0.00 175.29 173.12 3itt s LEU 252 N -1.35 3.41 -0.34 0.00 0.20 -0.70 0.27 118.68 120.18 3itt s LEU 252 Ca 0.24 -0.08 -0.09 0.00 0.69 0.00 0.00 54.13 54.88 3itt s LEU 252 Cb -0.14 -1.84 0.01 0.00 -0.43 0.00 0.00 46.19 43.79 3itt s LEU 252 CO 0.12 0.16 0.16 -0.69 -0.29 0.00 0.00 176.35 175.81 3itt s VAL 253 N 0.44 4.41 -0.32 1.68 1.01 -0.06 -4.08 120.40 123.48 3itt s VAL 253 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3itt s VAL 253 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3itt s VAL 253 CO 0.02 -0.08 0.21 -0.62 0.00 0.00 0.00 175.10 174.63 3itt s ASP 254 N 1.55 5.90 0.21 3.32 -1.08 -1.26 0.37 116.67 125.67 3itt s ASP 254 Ca 0.03 -0.38 -0.16 0.00 -0.52 0.00 0.00 52.55 51.51 3itt s ASP 254 Cb -0.18 -2.09 0.22 0.00 -1.46 0.00 0.00 42.92 39.40 3itt s ASP 254 CO 0.05 -0.19 1.42 0.18 0.52 0.00 0.00 175.17 177.15 3itt n LEU 255 N 5.06 -0.60 -0.67 -1.34 4.77 -0.80 -1.44 117.00 121.98 3itt n LEU 255 Ca -0.13 1.59 0.02 0.00 -0.03 0.00 0.00 56.01 57.46 3itt n LEU 255 Cb 0.50 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 3itt n LEU 255 CO 0.35 -1.43 0.41 0.61 -1.33 0.00 0.00 177.39 176.00 3itt n GLY 256 N -1.43 1.38 1.77 -0.72 0.00 -1.26 -4.07 105.19 100.86 3itt n GLY 256 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 3itt n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3itt n HIS 257 N 0.08 2.09 -4.41 1.61 8.25 -0.52 -3.62 115.22 118.69 3itt n HIS 257 Ca 0.05 -1.08 -0.24 0.00 -0.26 0.00 0.00 57.72 56.19 3itt n HIS 257 Cb 0.37 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 30.80 3itt n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3itt s HIS 258 N -2.95 2.46 0.77 4.41 3.76 -1.26 -2.55 115.29 119.93 3itt s HIS 258 Ca 0.53 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 54.95 3itt s HIS 258 Cb 0.42 -1.20 0.06 0.00 1.11 0.00 0.00 32.58 32.97 3itt s HIS 258 CO 0.13 0.63 1.17 0.00 -0.85 0.00 0.00 174.74 175.81 3itt s ALA 259 N -2.48 2.04 0.30 -1.40 0.00 -1.26 -4.90 121.76 114.05 3itt s ALA 259 Ca 0.32 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 3itt s ALA 259 Cb -0.03 -3.42 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3itt s ALA 259 CO 0.17 -1.98 1.34 -2.30 0.00 0.00 0.00 175.76 172.99 3itt n PRO 260 N -3.10 2.08 -0.76 0.00 -0.02 -1.26 -2.16 135.00 129.78 3itt n PRO 260 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3itt n PRO 260 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3itt n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itt n ASN 261 N 1.42 0.00 -4.60 2.55 3.02 -1.26 -4.99 115.26 111.39 3itt n ASN 261 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 3itt n ASN 261 Cb 0.34 -0.90 0.02 0.00 -0.61 0.00 0.00 39.78 38.63 3itt n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3itt n THR 262 N -2.00 2.63 -2.99 3.41 -1.04 -0.92 -4.88 114.28 108.49 3itt n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3itt n THR 262 Cb 0.00 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 3itt n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3itt s ASN 263 N -0.84 6.45 0.11 8.00 3.84 -1.26 -4.89 114.94 126.35 3itt s ASN 263 Ca 0.65 -1.75 -0.15 0.00 0.21 0.00 0.00 52.86 51.82 3itt s ASN 263 Cb -0.53 -2.36 -0.05 0.00 -0.55 0.00 0.00 41.25 37.76 3itt s ASN 263 CO 0.55 -1.11 1.49 0.40 -2.79 0.00 0.00 177.10 175.64 3itt h ILE 264 N 5.78 1.29 -0.37 -5.21 2.04 -1.98 -3.05 117.51 116.01 3itt h ILE 264 Ca -0.04 -1.26 0.11 0.00 1.00 0.00 0.00 64.86 64.67 3itt h ILE 264 Cb 1.05 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3itt h ILE 264 CO 1.09 0.41 0.27 1.05 0.00 0.00 0.00 178.15 180.97 3itt h GLU 265 N 0.49 0.00 -0.37 2.37 9.09 -1.90 -0.69 114.58 123.56 3itt h GLU 265 Ca 0.08 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.33 3itt h GLU 265 Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.78 3itt h GLU 265 CO 0.05 0.00 -0.37 1.98 0.05 0.00 0.00 179.01 180.71 3itt h MET 266 N 0.00 0.90 -0.82 1.06 4.05 -1.93 -1.95 114.93 116.25 3itt h MET 266 Ca 0.17 -0.48 0.02 0.00 -0.28 0.00 0.00 59.70 59.13 3itt h MET 266 Cb 0.71 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 3itt h MET 266 CO -0.00 1.13 0.54 0.82 0.23 0.00 0.00 176.91 179.62 3itt h ILE 267 N 0.71 1.18 -0.40 1.77 2.04 -1.15 0.88 117.51 122.54 3itt h ILE 267 Ca 0.06 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3itt h ILE 267 Cb 0.97 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3itt h ILE 267 CO 0.09 0.20 0.26 0.58 0.00 0.00 0.00 178.15 179.28 3itt h VAL 268 N 1.07 1.08 -0.72 1.67 2.07 -1.21 -1.32 116.25 118.89 3itt h VAL 268 Ca 0.31 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 3itt h VAL 268 Cb -0.08 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3itt h VAL 268 CO -0.08 0.10 0.20 0.00 0.02 0.00 0.00 177.57 177.80 3itt h ALA 269 N 1.16 0.98 -0.54 1.67 0.00 -0.55 -1.59 119.26 120.38 3itt h ALA 269 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3itt h ALA 269 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3itt h ALA 269 CO -0.05 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.15 3itt h ARG 270 N 1.08 0.77 -0.41 0.00 2.47 -0.47 -0.95 114.38 116.88 3itt h ARG 270 Ca 0.23 -0.10 -0.12 0.00 -1.26 0.00 0.00 59.98 58.72 3itt h ARG 270 Cb 0.34 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3itt h ARG 270 CO -0.00 0.62 -0.23 -0.07 0.56 0.00 0.00 179.97 180.85 3itt h LEU 271 N 0.73 0.86 -0.48 3.04 3.38 -1.04 -2.62 115.31 119.17 3itt h LEU 271 Ca 0.19 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3itt h LEU 271 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3itt h LEU 271 CO -0.03 1.05 0.17 0.40 0.09 0.00 0.00 178.44 180.12 3itt h ILE 272 N 0.73 1.22 -0.99 1.22 2.04 -1.07 0.13 117.51 120.78 3itt h ILE 272 Ca 0.10 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.32 3itt h ILE 272 Cb 0.76 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 3itt h ILE 272 CO 0.06 0.26 0.64 -0.61 0.00 0.00 0.00 178.15 178.50 3itt h GLN 273 N 0.63 1.10 -0.64 2.37 4.15 -1.00 -1.34 115.11 120.38 3itt h GLN 273 Ca 0.16 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3itt h GLN 273 Cb 0.24 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3itt h GLN 273 CO -0.01 0.73 0.00 1.19 -1.93 0.00 0.00 178.83 178.81 3itt n PHE 274 N -4.51 1.51 -2.45 3.99 3.72 -1.00 -4.95 117.46 113.76 3itt n PHE 274 Ca 0.16 -0.57 -0.20 0.00 -0.05 0.00 0.00 57.45 56.79 3itt n PHE 274 Cb 0.21 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 3itt n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3itt n GLY 275 N 0.90 -0.50 0.26 1.37 0.00 -0.39 -4.91 105.19 101.92 3itt n GLY 275 Ca 0.24 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.35 3itt n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itt n LYS 276 N -3.06 1.50 -2.92 1.61 4.76 0.32 -4.92 118.16 115.45 3itt n LYS 276 Ca -0.22 -2.74 -0.44 0.00 -2.87 0.00 0.00 58.31 52.04 3itt n LYS 276 Cb 0.67 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 3itt n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3itt s LEU 277 N -2.94 4.90 0.04 -0.35 2.96 -1.22 -0.03 118.68 122.03 3itt s LEU 277 Ca 0.34 -1.74 -0.19 0.00 -0.22 0.00 0.00 54.13 52.32 3itt s LEU 277 Cb 0.30 -2.40 -0.16 0.00 0.50 0.00 0.00 46.19 44.43 3itt s LEU 277 CO 0.02 -1.16 1.27 1.23 -1.32 0.00 0.00 176.35 176.38 3itt h GLY 278 N 10.64 0.51 -2.05 7.98 0.00 -0.45 -3.39 103.07 116.31 3itt h GLY 278 Ca 0.02 -0.64 0.19 0.00 0.00 0.00 0.00 47.33 46.91 3itt h GLY 278 CO 1.13 0.57 0.57 -0.32 0.00 0.00 0.00 176.54 178.49 3itt s GLY 279 N -3.74 -0.11 -0.08 4.60 0.00 -1.14 -0.42 107.32 106.44 3itt s GLY 279 Ca -0.13 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.60 3itt s GLY 279 CO 0.80 1.07 -0.10 -0.12 0.00 0.00 0.00 173.10 174.75 3itt s PHE 280 N -2.71 1.41 -0.42 1.90 2.19 -1.19 -0.88 117.98 118.28 3itt s PHE 280 Ca 0.17 -0.58 -0.17 0.00 0.33 0.00 0.00 56.93 56.68 3itt s PHE 280 Cb -0.01 -1.09 0.02 0.00 -1.31 0.00 0.00 43.02 40.63 3itt s PHE 280 CO 0.03 -0.35 0.40 -1.01 1.83 0.00 0.00 175.22 176.12 3itt s HIS 281 N 1.03 3.19 0.22 10.12 3.76 0.16 -1.83 115.29 131.94 3itt s HIS 281 Ca -0.08 -0.44 -0.23 0.00 -0.15 0.00 0.00 55.06 54.16 3itt s HIS 281 Cb -0.15 -2.81 -0.08 0.00 1.11 0.00 0.00 32.58 30.65 3itt s HIS 281 CO -0.01 -0.67 0.79 -0.06 -0.85 0.00 0.00 174.74 173.94 3itt s PHE 282 N 2.01 3.77 0.00 1.40 0.08 0.68 -1.90 117.98 124.02 3itt s PHE 282 Ca 0.10 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.72 3itt s PHE 282 Cb -0.18 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 3itt s PHE 282 CO 0.13 0.39 0.00 0.27 -0.10 0.00 0.00 175.22 175.90 3itt n ASN 283 N 1.05 0.00 -4.44 1.36 0.23 -1.26 -1.13 115.26 111.07 3itt n ASN 283 Ca -0.03 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.81 3itt n ASN 283 Cb 0.50 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 3itt n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3itt s ASP 284 N 0.00 2.32 0.07 0.53 -1.08 0.37 -4.60 116.67 114.29 3itt s ASP 284 Ca 0.00 -1.39 -0.27 0.00 -0.52 0.00 0.00 52.55 50.37 3itt s ASP 284 Cb 0.00 -0.06 0.08 0.00 -1.46 0.00 0.00 42.92 41.49 3itt s ASP 284 CO 0.00 -0.62 0.97 -0.94 0.52 0.00 0.00 175.17 175.10 3itt s SER 285 N -3.48 -0.23 0.00 -0.34 1.04 -1.26 -1.41 113.70 108.02 3itt s SER 285 Ca 0.36 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3itt s SER 285 Cb 0.09 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3itt s SER 285 CO 0.15 -0.73 0.00 1.17 0.98 0.00 0.00 173.24 174.81 3itt n LYS 286 N -0.38 0.97 -0.01 4.02 4.81 -1.26 -4.76 118.16 121.55 3itt n LYS 286 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.34 3itt n LYS 286 Cb 0.61 -0.65 -0.01 0.00 0.02 0.00 0.00 35.03 35.00 3itt n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3itt n TYR 287 N -1.13 0.00 0.00 5.64 4.01 -1.26 -5.10 117.16 119.32 3itt n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3itt n TYR 287 Cb 0.15 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 3itt n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itt n GLY 288 N 2.61 4.87 2.96 2.72 0.00 -1.26 -4.91 105.19 112.18 3itt n GLY 288 Ca -0.05 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3itt n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3itt n ASP 289 N 0.00 5.11 0.20 1.61 2.03 -1.24 -4.75 116.55 119.51 3itt n ASP 289 Ca 0.00 -3.09 0.14 0.00 0.52 0.00 0.00 54.79 52.36 3itt n ASP 289 Cb 0.00 -1.49 0.49 0.00 -0.72 0.00 0.00 41.12 39.40 3itt n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3itt h ASP 290 N 5.97 0.00 -6.33 1.67 3.32 -1.84 -3.47 116.42 115.74 3itt h ASP 290 Ca 0.38 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.95 3itt h ASP 290 Cb 0.67 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 3itt h ASP 290 CO 1.56 0.00 -0.77 0.47 -1.72 0.00 0.00 179.24 178.79 3itt n ASP 291 N -2.73 -4.61 -4.93 6.45 8.00 -1.24 -4.82 116.55 112.67 3itt n ASP 291 Ca 0.02 -0.80 -0.26 0.00 0.71 0.00 0.00 54.79 54.47 3itt n ASP 291 Cb 0.35 -3.82 0.07 0.00 -0.02 0.00 0.00 41.12 37.69 3itt n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3itt s LEU 292 N -7.27 2.83 -0.00 0.64 1.43 -0.50 -1.78 118.68 114.03 3itt s LEU 292 Ca 0.65 0.52 -0.33 0.00 -1.03 0.00 0.00 54.13 53.93 3itt s LEU 292 Cb -0.33 -3.17 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 3itt s LEU 292 CO 0.84 -1.57 1.82 0.47 0.23 0.00 0.00 176.35 178.13 3itt n ASP 293 N -2.92 3.48 -4.55 2.29 9.92 -1.26 -0.48 116.55 123.03 3itt n ASP 293 Ca 0.08 0.99 -0.53 0.00 -0.53 0.00 0.00 54.79 54.80 3itt n ASP 293 Cb 0.60 -1.41 -0.06 0.00 -0.64 0.00 0.00 41.12 39.61 3itt n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3itt n ALA 294 N 5.89 -1.78 -0.84 2.24 0.00 -1.26 -1.17 120.51 123.59 3itt n ALA 294 Ca 0.21 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3itt n ALA 294 Cb 0.31 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3itt n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itt n GLY 295 N 2.10 0.48 0.22 0.00 0.00 -1.26 -4.76 105.19 101.96 3itt n GLY 295 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 3itt n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itt h ALA 296 N 0.00 1.00 0.00 4.61 0.00 -1.51 -3.31 119.26 120.04 3itt h ALA 296 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3itt h ALA 296 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3itt h ALA 296 CO 0.00 0.00 -1.37 -0.89 0.00 0.00 0.00 179.25 176.99 3itt n ILE 297 N -2.92 0.51 -3.64 0.00 2.08 -1.26 -4.93 119.36 109.20 3itt n ILE 297 Ca 0.03 -0.08 -0.27 0.00 0.56 0.00 0.00 62.75 62.98 3itt n ILE 297 Cb 0.42 -1.62 -0.11 0.00 -0.75 0.00 0.00 39.64 37.58 3itt n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3itt n GLU 298 N -3.39 1.01 0.22 0.38 1.02 -1.26 -4.97 120.64 113.64 3itt n GLU 298 Ca -0.15 -3.82 0.07 0.00 -0.02 0.00 0.00 57.16 53.23 3itt n GLU 298 Cb 0.58 -1.97 0.51 0.00 -0.02 0.00 0.00 31.44 30.54 3itt n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3itt h PRO 299 N 5.48 0.00 -0.10 3.49 0.13 -1.92 -2.88 132.00 136.21 3itt h PRO 299 Ca 0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 3itt h PRO 299 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3itt h PRO 299 CO 0.54 0.25 -0.58 -0.92 -0.23 0.00 0.00 178.00 177.06 3itt h TYR 300 N 0.00 0.40 -0.60 1.56 3.20 -1.93 -2.12 116.97 117.48 3itt h TYR 300 Ca -0.00 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 3itt h TYR 300 Cb 0.52 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3itt h TYR 300 CO 0.00 0.82 0.27 -0.09 -1.64 0.00 0.00 178.16 177.52 3itt h ARG 301 N 0.24 0.87 -0.82 1.82 2.43 -1.94 0.10 114.38 117.08 3itt h ARG 301 Ca -0.00 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3itt h ARG 301 Cb 1.09 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 3itt h ARG 301 CO 0.09 0.72 0.46 1.25 -1.51 0.00 0.00 179.97 180.99 3itt h LEU 302 N 0.82 1.01 -0.58 3.80 5.85 -1.38 -1.16 115.31 123.66 3itt h LEU 302 Ca 0.20 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3itt h LEU 302 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3itt h LEU 302 CO -0.02 0.80 0.05 0.15 -0.34 0.00 0.00 178.44 179.08 3itt h PHE 303 N 1.13 1.07 -0.17 1.25 3.57 -0.99 -2.11 116.94 120.70 3itt h PHE 303 Ca 0.29 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 3itt h PHE 303 Cb 0.00 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3itt h PHE 303 CO 0.00 0.95 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.72 3itt h LEU 304 N 0.89 0.30 -0.42 0.59 3.38 -0.44 0.22 115.31 119.82 3itt h LEU 304 Ca 0.17 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3itt h LEU 304 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3itt h LEU 304 CO 0.02 0.55 -0.12 0.58 0.09 0.00 0.00 178.44 179.56 3itt h VAL 305 N 0.28 1.27 0.00 1.22 2.07 -1.03 -2.78 116.25 117.28 3itt h VAL 305 Ca 0.05 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 3itt h VAL 305 Cb 0.57 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3itt h VAL 305 CO 0.04 0.42 -0.40 -0.26 0.02 0.00 0.00 177.57 177.39 3itt h PHE 306 N 0.65 0.00 -0.78 1.57 0.04 -0.82 -2.38 116.94 115.24 3itt h PHE 306 Ca 0.11 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.89 3itt h PHE 306 Cb 0.66 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 3itt h PHE 306 CO 0.05 0.40 0.51 -0.97 -0.60 0.00 0.00 178.31 177.70 3itt h ASN 307 N 0.00 0.88 -0.24 2.17 -1.24 -0.32 0.28 115.58 117.12 3itt h ASN 307 Ca -0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 56.79 3itt h ASN 307 Cb 0.85 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.69 3itt h ASN 307 CO 0.05 0.63 -0.60 -0.33 -1.29 0.00 0.00 177.43 175.89 3itt h GLU 308 N 1.03 0.85 -0.30 6.67 4.39 -1.29 -1.49 114.58 124.44 3itt h GLU 308 Ca 0.29 -0.57 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 3itt h GLU 308 Cb -0.09 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3itt h GLU 308 CO -0.07 1.20 0.07 -0.07 -1.16 0.00 0.00 179.01 178.98 3itt h LEU 309 N 0.63 0.46 -0.71 1.33 3.38 -0.89 -1.69 115.31 117.82 3itt h LEU 309 Ca -0.00 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3itt h LEU 309 Cb 1.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3itt h LEU 309 CO 0.13 0.57 -0.15 0.58 0.09 0.00 0.00 178.44 179.66 3itt h VAL 310 N 0.32 1.26 -0.65 1.22 2.07 -0.49 -2.74 116.25 117.25 3itt h VAL 310 Ca 0.09 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3itt h VAL 310 Cb 0.29 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3itt h VAL 310 CO 0.00 0.43 0.23 -0.78 0.02 0.00 0.00 177.57 177.47 3itt h ASP 311 N 0.74 0.92 -0.43 0.57 1.82 -1.13 -1.11 116.42 117.80 3itt h ASP 311 Ca 0.12 -0.19 0.05 0.00 -0.39 0.00 0.00 57.03 56.61 3itt h ASP 311 Cb 0.66 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.38 3itt h ASP 311 CO 0.05 0.86 0.18 0.00 -1.61 0.00 0.00 179.24 178.72 3itt h ALA 312 N 1.09 0.53 0.77 -0.78 0.00 -1.12 -0.77 119.26 118.98 3itt h ALA 312 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3itt h ALA 312 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3itt h ALA 312 CO -0.01 -0.20 -0.45 0.93 0.00 0.00 0.00 179.25 179.52 3itt h GLU 313 N 0.37 -1.09 -0.74 0.00 5.08 -1.19 -1.82 114.58 115.17 3itt h GLU 313 Ca 0.20 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 3itt h GLU 313 Cb 0.15 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 3itt h GLU 313 CO -0.17 -0.73 -0.47 0.00 -1.00 0.00 0.00 179.01 176.64 3itt h ALA 314 N -0.99 -0.30 0.00 3.43 0.00 -0.86 0.75 119.26 121.29 3itt h ALA 314 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3itt h ALA 314 Cb 0.90 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3itt h ALA 314 CO 0.12 -0.83 0.00 2.89 0.00 0.00 0.00 179.25 181.43 3itt n ARG 315 N -5.38 0.92 -3.37 0.00 1.85 -0.32 -4.93 116.66 105.43 3itt n ARG 315 Ca 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.56 3itt n ARG 315 Cb 0.34 -1.06 0.03 0.00 -1.05 0.00 0.00 32.46 30.72 3itt n ARG 315 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3itt n GLY 316 N 0.37 -0.15 3.79 2.89 0.00 0.26 -4.94 105.19 107.41 3itt n GLY 316 Ca 0.00 1.13 -0.38 0.00 0.00 0.00 0.00 46.02 46.77 3itt n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itt s VAL 317 N -1.66 5.03 0.29 1.61 1.01 -0.84 -5.03 120.40 120.81 3itt s VAL 317 Ca 0.34 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 3itt s VAL 317 Cb -0.04 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3itt s VAL 317 CO 0.82 0.48 0.96 -1.59 0.00 0.00 0.00 175.10 175.77 3itt s LYS 318 N -0.46 4.67 0.00 2.72 -2.85 -1.26 -3.19 119.74 119.37 3itt s LYS 318 Ca 0.25 1.43 0.00 0.00 -1.00 0.00 0.00 55.97 56.65 3itt s LYS 318 Cb -0.17 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 3itt s LYS 318 CO 0.13 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.34 3itt n GLY 319 N 0.94 1.38 3.58 0.59 0.00 -1.26 -4.72 105.19 105.70 3itt n GLY 319 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3itt n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3itt s PHE 320 N -3.33 3.04 -0.37 1.61 5.36 -1.19 -4.82 117.98 118.28 3itt s PHE 320 Ca 0.00 0.48 0.05 0.00 -0.96 0.00 0.00 56.93 56.49 3itt s PHE 320 Cb 0.00 -3.62 0.30 0.00 -0.34 0.00 0.00 43.02 39.36 3itt s PHE 320 CO 0.00 -0.88 1.28 1.58 -1.46 0.00 0.00 175.22 175.74 3itt n HIS 321 N 6.70 -1.30 -1.80 10.12 -0.00 -1.26 -4.98 115.22 122.70 3itt n HIS 321 Ca 0.04 -1.24 -0.38 0.00 0.46 0.00 0.00 57.72 56.60 3itt n HIS 321 Cb 0.48 1.35 0.04 0.00 -0.12 0.00 0.00 29.99 31.74 3itt n HIS 321 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3itt s PRO 322 N 0.12 3.12 -0.41 1.57 0.04 -1.26 -4.98 135.00 133.20 3itt s PRO 322 Ca 0.19 2.20 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 3itt s PRO 322 Cb 0.28 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.65 3itt s PRO 322 CO -0.13 -1.20 0.27 0.00 0.04 0.00 0.00 177.00 175.98 3itt s ALA 323 N -1.32 3.36 0.18 8.56 0.00 0.44 -4.93 121.76 128.04 3itt s ALA 323 Ca 0.72 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.57 3itt s ALA 323 Cb -0.40 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 3itt s ALA 323 CO 0.46 -1.55 0.66 -1.01 0.00 0.00 0.00 175.76 174.32 3itt s HIS 324 N 1.55 3.66 -0.00 0.00 3.76 -1.26 -3.16 115.29 119.84 3itt s HIS 324 Ca 0.03 1.29 -0.15 0.00 -0.15 0.00 0.00 55.06 56.08 3itt s HIS 324 Cb -0.21 -2.54 0.02 0.00 1.11 0.00 0.00 32.58 30.96 3itt s HIS 324 CO 0.06 0.40 0.32 -1.64 -0.85 0.00 0.00 174.74 173.02 3itt s MET 325 N -1.84 0.71 -0.20 1.40 -1.94 -0.76 -1.64 119.30 115.03 3itt s MET 325 Ca 0.40 -0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 53.96 3itt s MET 325 Cb -0.17 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.95 3itt s MET 325 CO 0.20 -0.21 0.41 0.42 -0.01 0.00 0.00 175.02 175.84 3itt s ILE 326 N -1.62 5.19 -0.55 2.53 1.01 0.08 -0.23 121.20 127.60 3itt s ILE 326 Ca -0.11 0.73 0.04 0.00 0.00 0.00 0.00 60.65 61.31 3itt s ILE 326 Cb -0.04 -3.74 0.15 0.00 0.01 0.00 0.00 42.46 38.84 3itt s ILE 326 CO 0.03 0.24 0.34 -0.62 0.00 0.00 0.00 174.94 174.92 3itt s ASP 327 N 1.08 4.09 0.24 3.58 -1.08 -0.28 -3.83 116.67 120.47 3itt s ASP 327 Ca 0.19 -3.21 0.02 0.00 -0.52 0.00 0.00 52.55 49.03 3itt s ASP 327 Cb -0.15 -1.39 -0.05 0.00 -1.46 0.00 0.00 42.92 39.87 3itt s ASP 327 CO 0.08 -0.18 0.05 -1.10 0.52 0.00 0.00 175.17 174.54 3itt s GLN 328 N -0.51 1.37 -0.02 4.34 -0.21 -1.26 -4.60 119.66 118.77 3itt s GLN 328 Ca 0.21 -1.72 0.01 0.00 0.02 0.00 0.00 55.36 53.88 3itt s GLN 328 Cb -0.16 -0.41 0.01 0.00 1.00 0.00 0.00 33.01 33.45 3itt s GLN 328 CO -0.07 -0.21 -0.02 0.15 -2.12 0.00 0.00 175.29 173.02 3itt s LYS 329 N -3.96 0.34 -0.33 2.91 1.02 -0.73 -4.64 119.74 114.34 3itt s LYS 329 Ca 0.33 -0.05 -0.00 0.00 0.02 0.00 0.00 55.97 56.27 3itt s LYS 329 Cb 0.07 -0.40 0.08 0.00 -0.52 0.00 0.00 37.83 37.06 3itt s LYS 329 CO 0.11 -0.02 0.05 -1.01 -0.92 0.00 0.00 175.35 173.57 3itt s HIS 330 N 0.41 3.47 -0.19 3.18 3.76 -1.26 -4.59 115.29 120.07 3itt s HIS 330 Ca -0.04 -2.34 0.22 0.00 -0.15 0.00 0.00 55.06 52.74 3itt s HIS 330 Cb -0.07 -2.58 -0.07 0.00 1.11 0.00 0.00 32.58 30.97 3itt s HIS 330 CO -0.01 -0.89 0.93 0.09 -0.85 0.00 0.00 174.74 174.00 3itt n ASN 331 N 4.51 0.73 -1.16 1.40 3.02 -1.26 -0.71 115.26 121.79 3itt n ASN 331 Ca -0.06 0.29 0.03 0.00 -0.03 0.00 0.00 54.58 54.80 3itt n ASN 331 Cb 0.42 0.61 0.02 0.00 -0.61 0.00 0.00 39.78 40.22 3itt n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3itt n VAL 332 N -2.66 0.05 -4.16 2.41 0.24 -1.26 -4.72 118.33 108.23 3itt n VAL 332 Ca -0.02 -0.72 -0.11 0.00 -2.04 0.00 0.00 64.34 61.44 3itt n VAL 332 Cb 0.60 0.81 -0.09 0.00 -1.47 0.00 0.00 33.84 33.69 3itt n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3itt s THR 333 N -0.07 0.00 -0.25 3.34 -4.23 -1.26 -5.09 115.64 108.07 3itt s THR 333 Ca 0.23 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 3itt s THR 333 Cb 0.26 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 3itt s THR 333 CO -0.11 -0.01 1.43 -0.62 -0.54 0.00 0.00 174.62 174.77 3itt s ASP 334 N -3.13 6.57 0.33 3.99 -1.08 -1.26 -4.88 116.67 117.21 3itt s ASP 334 Ca 0.36 1.43 0.11 0.00 -0.52 0.00 0.00 52.55 53.92 3itt s ASP 334 Cb 0.06 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.91 3itt s ASP 334 CO 0.11 -1.12 1.72 -0.65 0.52 0.00 0.00 175.17 175.75 3itt h PRO 335 N 9.79 0.52 -0.56 4.34 0.11 -1.87 -0.13 132.00 144.20 3itt h PRO 335 Ca -0.29 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3itt h PRO 335 Cb 1.12 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3itt h PRO 335 CO 1.01 0.34 0.08 0.82 -0.21 0.00 0.00 178.00 180.05 3itt h ILE 336 N 0.54 1.26 -0.47 4.15 2.04 -1.87 -0.72 117.51 122.44 3itt h ILE 336 Ca 0.65 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3itt h ILE 336 Cb 1.31 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3itt h ILE 336 CO -0.48 0.36 -0.14 -0.33 0.00 0.00 0.00 178.15 177.55 3itt h GLU 337 N 0.82 0.89 -0.28 2.37 5.08 -1.46 -1.27 114.58 120.73 3itt h GLU 337 Ca 0.17 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3itt h GLU 337 Cb 0.43 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3itt h GLU 337 CO 0.01 0.97 -0.16 0.77 -1.00 0.00 0.00 179.01 179.61 3itt h SER 338 N 0.79 0.63 -0.38 1.42 0.02 -1.12 -1.79 113.55 113.12 3itt h SER 338 Ca 0.12 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3itt h SER 338 Cb 0.67 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3itt h SER 338 CO 0.05 0.91 0.10 -0.07 -1.14 0.00 0.00 176.83 176.68 3itt h LEU 339 N 0.34 0.63 0.23 5.07 3.38 -1.04 0.12 115.31 124.05 3itt h LEU 339 Ca 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3itt h LEU 339 Cb 0.68 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3itt h LEU 339 CO 0.05 0.64 -0.11 0.40 0.09 0.00 0.00 178.44 179.50 3itt h ILE 340 N 0.66 0.81 0.00 1.22 2.04 -1.06 -1.13 117.51 120.06 3itt h ILE 340 Ca 0.15 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3itt h ILE 340 Cb 0.26 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3itt h ILE 340 CO -0.00 0.04 -0.27 0.78 0.00 0.00 0.00 178.15 178.70 3itt h ASN 341 N -0.39 0.00 -0.12 1.72 4.21 -1.03 -1.93 115.58 118.04 3itt h ASN 341 Ca -0.03 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.29 3itt h ASN 341 Cb 0.30 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.51 3itt h ASN 341 CO 0.05 0.27 -0.67 0.28 -1.29 0.00 0.00 177.43 176.07 3itt h SER 342 N 0.00 0.80 -0.65 5.81 0.02 -0.63 -1.57 113.55 117.33 3itt h SER 342 Ca -0.00 -0.65 -0.06 0.00 -0.84 0.00 0.00 61.79 60.24 3itt h SER 342 Cb 0.71 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3itt h SER 342 CO 0.04 1.32 0.19 0.00 -1.14 0.00 0.00 176.83 177.23 3itt h ALA 343 N 0.50 1.06 -0.37 3.77 0.00 -1.03 -1.73 119.26 121.46 3itt h ALA 343 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3itt h ALA 343 Cb 1.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3itt h ALA 343 CO 0.14 0.63 0.21 -0.91 0.00 0.00 0.00 179.25 179.31 3itt h ASN 344 N 1.00 0.46 -0.52 0.00 -0.26 -1.27 -2.06 115.58 112.94 3itt h ASN 344 Ca 0.22 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 3itt h ASN 344 Cb 0.32 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 3itt h ASN 344 CO -0.00 0.41 0.20 -0.33 -1.06 0.00 0.00 177.43 176.64 3itt h GLU 345 N 0.47 0.82 -0.46 0.81 4.39 -0.91 0.12 114.58 119.82 3itt h GLU 345 Ca 0.13 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3itt h GLU 345 Cb 0.05 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3itt h GLU 345 CO -0.02 0.69 0.08 0.82 -1.16 0.00 0.00 179.01 179.42 3itt h ILE 346 N 0.81 1.25 -0.03 3.13 2.04 -1.06 -0.95 117.51 122.69 3itt h ILE 346 Ca 0.19 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 3itt h ILE 346 Cb 0.20 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3itt h ILE 346 CO -0.01 0.32 -0.40 0.03 0.00 0.00 0.00 178.15 178.08 3itt h ARG 347 N 0.63 0.06 -0.28 2.37 3.08 -0.86 -1.82 114.38 117.56 3itt h ARG 347 Ca 0.14 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3itt h ARG 347 Cb 0.38 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3itt h ARG 347 CO 0.01 0.45 0.08 -0.09 -1.07 0.00 0.00 179.97 179.35 3itt h ARG 348 N 0.05 0.45 -0.51 0.04 2.43 -0.17 -0.22 114.38 116.44 3itt h ARG 348 Ca 0.00 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 3itt h ARG 348 Cb 0.73 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3itt h ARG 348 CO 0.05 0.52 -0.11 0.00 -1.51 0.00 0.00 179.97 178.92 3itt h ALA 349 N 0.91 0.82 -0.12 2.80 0.00 -1.04 -1.91 119.26 120.73 3itt h ALA 349 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3itt h ALA 349 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3itt h ALA 349 CO -0.00 0.66 0.07 -0.92 0.00 0.00 0.00 179.25 179.06 3itt h TYR 350 N 0.86 0.16 -0.38 0.00 3.20 -1.16 -0.64 116.97 119.00 3itt h TYR 350 Ca 0.13 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3itt h TYR 350 Cb 0.66 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3itt h TYR 350 CO 0.04 0.14 0.18 0.00 -1.64 0.00 0.00 178.16 176.89 3itt h ALA 351 N 1.01 0.47 -0.80 1.82 0.00 -0.91 -1.30 119.26 119.55 3itt h ALA 351 Ca 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3itt h ALA 351 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3itt h ALA 351 CO -0.01 -0.18 0.33 1.96 0.00 0.00 0.00 179.25 181.35 3itt h GLN 352 N 0.38 1.18 -0.93 0.00 4.20 -1.14 -1.79 115.11 117.02 3itt h GLN 352 Ca 0.16 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3itt h GLN 352 Cb 0.08 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3itt h GLN 352 CO -0.12 0.95 0.58 0.00 -0.67 0.00 0.00 178.83 179.56 3itt h ALA 353 N 1.20 1.18 0.00 3.87 0.00 -0.64 -1.43 119.26 123.43 3itt h ALA 353 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3itt h ALA 353 Cb 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3itt h ALA 353 CO -0.02 0.62 -0.04 -0.07 0.00 0.00 0.00 179.25 179.74 3itt h LEU 354 N 1.27 0.00 0.00 0.00 3.38 -0.38 -2.08 115.31 117.50 3itt h LEU 354 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3itt h LEU 354 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3itt h LEU 354 CO -0.07 0.04 -0.13 0.18 0.09 0.00 0.00 178.44 178.55 3itt n LEU 355 N -3.38 0.25 -4.74 1.67 4.77 -0.54 -4.89 117.00 110.14 3itt n LEU 355 Ca -0.02 0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.95 3itt n LEU 355 Cb 0.16 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3itt n LEU 355 CO 0.25 -0.01 1.21 -0.69 -1.33 0.00 0.00 177.39 176.83 3itt s VAL 356 N -3.02 2.32 -0.90 4.08 1.01 -0.78 -4.78 120.40 118.33 3itt s VAL 356 Ca 0.13 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 3itt s VAL 356 Cb 0.17 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.48 3itt s VAL 356 CO 0.58 0.04 1.20 -0.62 0.00 0.00 0.00 175.10 176.30 3itt s ASP 357 N 0.59 6.48 0.25 3.32 -1.08 -1.26 -4.88 116.67 120.10 3itt s ASP 357 Ca 0.64 -1.60 -0.03 0.00 -0.52 0.00 0.00 52.55 51.04 3itt s ASP 357 Cb -0.46 -2.46 0.39 0.00 -1.46 0.00 0.00 42.92 38.93 3itt s ASP 357 CO 0.43 -1.30 1.85 0.03 0.52 0.00 0.00 175.17 176.70 3itt h ARG 358 N 9.31 0.99 0.08 4.34 2.47 -1.96 -0.03 114.38 129.57 3itt h ARG 358 Ca 0.07 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3itt h ARG 358 Cb 1.03 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 3itt h ARG 358 CO 1.22 0.66 -0.04 0.00 0.56 0.00 0.00 179.97 182.37 3itt h ALA 359 N 1.44 -0.10 -0.43 0.04 0.00 -1.99 0.48 119.26 118.70 3itt h ALA 359 Ca 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3itt h ALA 359 Cb 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3itt h ALA 359 CO -0.19 -0.53 0.21 0.00 0.00 0.00 0.00 179.25 178.74 3itt h ALA 360 N 0.76 0.55 -0.07 0.00 0.00 -1.91 -1.90 119.26 116.70 3itt h ALA 360 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3itt h ALA 360 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3itt h ALA 360 CO 0.02 0.10 -0.09 1.25 0.00 0.00 0.00 179.25 180.53 3itt h LEU 361 N 0.55 -0.28 -1.03 0.00 5.85 -0.84 -1.25 115.31 118.32 3itt h LEU 361 Ca 0.15 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.02 3itt h LEU 361 Cb 0.10 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 3itt h LEU 361 CO -0.02 -0.13 0.64 0.28 -0.34 0.00 0.00 178.44 178.87 3itt h SER 362 N -0.13 0.96 -0.21 1.25 0.02 -0.74 0.05 113.55 114.75 3itt h SER 362 Ca 0.06 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3itt h SER 362 Cb 0.21 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3itt h SER 362 CO -0.14 0.56 0.12 1.23 -1.14 0.00 0.00 176.83 177.46 3itt h GLY 363 N 1.06 0.31 1.94 -3.77 0.00 -0.55 -0.87 103.07 101.19 3itt h GLY 363 Ca 0.47 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 3itt h GLY 363 CO -0.22 0.13 -0.30 -0.97 0.00 0.00 0.00 176.54 175.18 3itt h TYR 364 N 0.25 0.07 -0.15 5.60 0.05 -0.43 -1.44 116.97 120.92 3itt h TYR 364 Ca 0.08 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 3itt h TYR 364 Cb 0.03 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3itt h TYR 364 CO -0.05 0.36 -0.35 1.96 -1.05 0.00 0.00 178.16 179.04 3itt h GLN 365 N 0.06 0.50 -0.40 4.88 4.20 -0.66 0.10 115.11 123.79 3itt h GLN 365 Ca 0.01 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 3itt h GLN 365 Cb 0.56 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 3itt h GLN 365 CO 0.04 0.95 -0.02 0.93 -0.67 0.00 0.00 178.83 180.06 3itt h GLU 366 N 0.12 0.66 -0.01 1.46 4.39 -0.96 -2.22 114.58 118.02 3itt h GLU 366 Ca -0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3itt h GLU 366 Cb 0.96 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3itt h GLU 366 CO 0.08 0.69 -0.05 -0.25 -1.16 0.00 0.00 179.01 178.32 3itt n ASP 367 N -4.23 0.73 -3.17 1.42 8.00 -0.56 -4.92 116.55 113.81 3itt n ASP 367 Ca 0.02 -1.03 -0.22 0.00 0.71 0.00 0.00 54.79 54.26 3itt n ASP 367 Cb 0.29 -0.02 0.06 0.00 -0.02 0.00 0.00 41.12 41.43 3itt n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3itt n ASN 368 N -0.56 -6.05 -4.20 -2.24 5.03 -0.73 -4.91 115.26 101.60 3itt n ASN 368 Ca 0.19 -0.40 -0.44 0.00 0.87 0.00 0.00 54.58 54.79 3itt n ASN 368 Cb 0.26 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.26 3itt n ASN 368 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3itt n ASP 369 N -2.55 5.70 -0.35 6.41 -0.08 0.27 -4.86 116.55 121.08 3itt n ASP 369 Ca -0.04 -3.15 0.09 0.00 -1.51 0.00 0.00 54.79 50.18 3itt n ASP 369 Cb 0.58 -1.39 0.28 0.00 2.34 0.00 0.00 41.12 42.93 3itt n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itt h ALA 370 N 6.24 1.60 -0.28 -1.67 0.00 -1.91 -1.52 119.26 121.72 3itt h ALA 370 Ca 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3itt h ALA 370 Cb 0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3itt h ALA 370 CO 1.23 0.11 0.08 1.25 0.00 0.00 0.00 179.25 181.92 3itt h LEU 371 N 0.90 0.40 -0.81 0.00 6.46 -1.96 -1.86 115.31 118.44 3itt h LEU 371 Ca 0.52 -0.21 -0.12 0.00 -0.12 0.00 0.00 57.88 57.96 3itt h LEU 371 Cb 0.65 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 3itt h LEU 371 CO -0.30 0.51 -0.55 0.24 -0.62 0.00 0.00 178.44 177.72 3itt h MET 372 N 0.28 0.00 0.15 1.25 2.86 -1.90 -2.07 114.93 115.50 3itt h MET 372 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3itt h MET 372 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3itt h MET 372 CO -0.00 0.55 -0.07 0.00 1.06 0.00 0.00 176.91 178.45 3itt h ALA 373 N 1.45 -0.20 -0.13 6.32 0.00 -1.06 0.22 119.26 125.86 3itt h ALA 373 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 373 Cb 1.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3itt h ALA 373 CO 0.07 -0.55 -0.29 0.00 0.00 0.00 0.00 179.25 178.49 3itt h THR 374 N -0.34 1.25 0.00 0.00 1.03 -1.32 -1.75 112.91 111.79 3itt h THR 374 Ca -0.02 -1.21 -0.10 0.00 -0.01 0.00 0.00 66.41 65.07 3itt h THR 374 Cb 0.27 1.48 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 3itt h THR 374 CO 0.03 0.37 -0.48 -0.08 -0.01 0.00 0.00 175.52 175.35 3itt h GLU 375 N 0.22 0.00 -0.40 0.00 4.57 -1.12 -0.29 114.58 117.56 3itt h GLU 375 Ca 0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 3itt h GLU 375 Cb 0.63 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3itt h GLU 375 CO 0.05 0.48 -0.25 1.15 -1.18 0.00 0.00 179.01 179.26 3itt h THR 376 N 0.00 1.27 -0.24 0.32 2.02 0.31 0.04 112.91 116.63 3itt h THR 376 Ca -0.00 -1.39 -0.18 0.00 0.77 0.00 0.00 66.41 65.61 3itt h THR 376 Cb 0.88 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3itt h THR 376 CO 0.06 0.46 -0.57 -0.07 0.37 0.00 0.00 175.52 175.78 3itt h LEU 377 N 0.71 0.91 -1.48 2.58 3.38 -1.05 -3.22 115.31 117.14 3itt h LEU 377 Ca 0.09 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 3itt h LEU 377 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3itt h LEU 377 CO 0.06 1.31 -0.26 0.11 0.09 0.00 0.00 178.44 179.75 3itt h LYS 378 N 0.56 0.00 -0.13 1.13 1.79 -0.82 -1.37 116.57 117.72 3itt h LYS 378 Ca -0.00 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3itt h LYS 378 Cb 1.19 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 3itt h LYS 378 CO 0.12 0.26 -0.18 0.00 -1.08 0.00 0.00 179.45 178.57 3itt h ARG 379 N 0.00 0.22 0.01 3.15 3.08 -1.00 0.23 114.38 120.08 3itt h ARG 379 Ca -0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3itt h ARG 379 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3itt h ARG 379 CO 0.03 0.41 -0.01 0.00 -1.07 0.00 0.00 179.97 179.34 3itt h ALA 380 N 1.61 -0.02 -0.99 0.04 0.00 -1.51 -3.28 119.26 115.12 3itt h ALA 380 Ca 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3itt h ALA 380 Cb 0.45 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3itt h ALA 380 CO 0.03 -0.06 0.65 -0.92 0.00 0.00 0.00 179.25 178.95 3itt h TYR 381 N -0.91 1.22 0.00 0.00 3.20 -1.07 -2.13 116.97 117.28 3itt h TYR 381 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3itt h TYR 381 Cb 0.80 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3itt h TYR 381 CO 0.21 0.72 0.00 0.00 -1.64 0.00 0.00 178.16 177.45 3itt h ARG 382 N 1.27 0.00 -6.30 1.82 3.08 -0.67 -3.44 114.38 110.14 3itt h ARG 382 Ca 0.39 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.89 3itt h ARG 382 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3itt h ARG 382 CO -0.11 0.00 1.04 0.99 -1.07 0.00 0.00 179.97 180.82 3itt s THR 383 N -3.51 3.55 -0.70 2.04 2.01 -0.80 -4.93 115.64 113.29 3itt s THR 383 Ca 0.02 0.75 -0.27 0.00 0.31 0.00 0.00 61.69 62.50 3itt s THR 383 Cb 0.09 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.14 3itt s THR 383 CO 0.44 -0.05 1.37 -0.62 -0.69 0.00 0.00 174.62 175.07 3itt s ASP 384 N 2.99 6.04 -0.06 3.53 2.15 -1.26 -4.85 116.67 125.21 3itt s ASP 384 Ca 0.72 -0.25 0.11 0.00 0.43 0.00 0.00 52.55 53.56 3itt s ASP 384 Cb -0.34 -2.55 0.43 0.00 -0.30 0.00 0.00 42.92 40.16 3itt s ASP 384 CO 0.29 -1.89 1.29 1.33 -0.17 0.00 0.00 175.17 176.01 3itt n VAL 385 N 6.55 1.02 -0.36 1.11 0.24 -1.26 -4.44 118.33 121.19 3itt n VAL 385 Ca 0.07 -0.69 0.07 0.00 -2.04 0.00 0.00 64.34 61.75 3itt n VAL 385 Cb 0.49 0.01 0.23 0.00 -1.47 0.00 0.00 33.84 33.11 3itt n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3itt h GLU 386 N 2.47 0.99 -0.99 7.34 4.57 -1.97 -1.43 114.58 125.56 3itt h GLU 386 Ca 0.00 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3itt h GLU 386 Cb 0.92 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 3itt h GLU 386 CO 0.12 0.66 0.64 -1.35 -1.18 0.00 0.00 179.01 177.90 3itt h PRO 387 N 1.02 1.15 -0.14 0.92 0.11 -1.93 0.10 132.00 133.24 3itt h PRO 387 Ca 0.49 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 3itt h PRO 387 Cb 0.45 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3itt h PRO 387 CO -0.25 0.76 0.01 0.82 -0.21 0.00 0.00 178.00 179.13 3itt h ILE 388 N 1.19 1.23 -0.62 4.15 2.04 -1.62 -0.47 117.51 123.41 3itt h ILE 388 Ca 0.42 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3itt h ILE 388 Cb 0.12 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3itt h ILE 388 CO -0.15 0.22 0.40 -0.07 0.00 0.00 0.00 178.15 178.54 3itt h LEU 389 N -0.01 0.67 -0.18 1.44 4.07 -0.96 0.93 115.31 121.27 3itt h LEU 389 Ca 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 3itt h LEU 389 Cb 0.32 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 3itt h LEU 389 CO 0.00 0.48 -0.02 0.00 -1.08 0.00 0.00 178.44 177.83 3itt h ALA 390 N 1.24 0.24 -0.67 1.53 0.00 -0.92 -1.62 119.26 119.06 3itt h ALA 390 Ca 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3itt h ALA 390 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3itt h ALA 390 CO -0.07 -0.03 0.29 1.49 0.00 0.00 0.00 179.25 180.94 3itt h GLU 391 N 0.06 0.97 -0.35 0.00 4.57 -0.92 0.20 114.58 119.11 3itt h GLU 391 Ca 0.05 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3itt h GLU 391 Cb 0.42 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3itt h GLU 391 CO 0.01 0.77 0.23 0.00 -1.18 0.00 0.00 179.01 178.84 3itt h ALA 392 N 1.36 0.45 0.23 2.92 0.00 -0.66 0.19 119.26 123.75 3itt h ALA 392 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3itt h ALA 392 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3itt h ALA 392 CO -0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.04 3itt h ARG 393 N 0.47 -0.30 -0.94 0.00 3.08 -0.65 -2.46 114.38 113.58 3itt h ARG 393 Ca 0.13 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.38 3itt h ARG 393 Cb -0.04 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 3itt h ARG 393 CO -0.03 -0.07 0.53 -0.09 -1.07 0.00 0.00 179.97 179.24 3itt h ARG 394 N -0.49 0.66 0.00 0.04 2.43 -0.38 0.21 114.38 116.85 3itt h ARG 394 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3itt h ARG 394 Cb 0.37 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3itt h ARG 394 CO 0.05 0.43 -0.10 0.00 -1.51 0.00 0.00 179.97 178.85 3itt h ARG 395 N 0.68 0.00 -0.34 0.20 3.08 -0.84 -3.27 114.38 113.88 3itt h ARG 395 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 3itt h ARG 395 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3itt h ARG 395 CO -0.39 0.10 0.00 0.25 -1.07 0.00 0.00 179.97 178.86 3itt n THR 396 N -3.19 2.31 -0.50 2.04 -2.24 -0.09 -4.93 114.28 107.68 3itt n THR 396 Ca 0.01 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 3itt n THR 396 Cb 0.42 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3itt n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itt n GLY 397 N -0.17 0.74 0.14 3.38 0.00 -1.04 -4.96 105.19 103.27 3itt n GLY 397 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3itt n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 398 N -2.50 1.65 3.72 -0.02 0.00 0.55 -4.76 105.19 103.82 3itt n GLY 398 Ca 0.00 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 3itt n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itt s ALA 399 N -2.21 3.44 0.16 4.61 0.00 -0.53 -4.22 121.76 123.01 3itt s ALA 399 Ca 0.02 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 3itt s ALA 399 Cb -0.00 -1.65 0.09 0.00 0.00 0.00 0.00 23.12 21.55 3itt s ALA 399 CO 0.01 0.54 1.75 0.28 0.00 0.00 0.00 175.76 178.34 3itt h VAL 400 N 4.22 0.87 -3.31 0.00 2.07 -1.87 -3.29 116.25 114.94 3itt h VAL 400 Ca -0.50 -0.10 -0.63 0.00 0.82 0.00 0.00 66.70 66.30 3itt h VAL 400 Cb 1.20 0.57 -0.40 0.00 -1.52 0.00 0.00 31.29 31.13 3itt h VAL 400 CO 0.57 0.05 -0.69 -0.62 0.02 0.00 0.00 177.57 176.91 3itt s ASP 401 N -5.36 4.19 0.15 0.57 -1.08 -1.26 -4.70 116.67 109.18 3itt s ASP 401 Ca -0.13 -2.64 -0.27 0.00 -0.52 0.00 0.00 52.55 48.99 3itt s ASP 401 Cb 0.13 -1.41 0.00 0.00 -1.46 0.00 0.00 42.92 40.18 3itt s ASP 401 CO 0.71 -0.28 1.58 -0.65 0.52 0.00 0.00 175.17 177.05 3itt h PRO 402 N 6.90 -0.31 -0.69 4.34 0.11 -1.85 -1.04 132.00 139.45 3itt h PRO 402 Ca -0.06 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3itt h PRO 402 Cb 0.93 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3itt h PRO 402 CO 0.58 -0.21 0.43 0.28 -0.21 0.00 0.00 178.00 178.87 3itt h VAL 403 N -0.32 1.19 -0.87 3.15 2.07 -1.94 0.22 116.25 119.74 3itt h VAL 403 Ca 0.14 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3itt h VAL 403 Cb 0.58 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3itt h VAL 403 CO -0.57 0.19 0.46 0.00 0.02 0.00 0.00 177.57 177.68 3itt h ALA 404 N 1.23 1.17 -0.19 1.67 0.00 -1.89 0.66 119.26 121.91 3itt h ALA 404 Ca 0.25 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3itt h ALA 404 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3itt h ALA 404 CO -0.05 0.65 -0.46 1.15 0.00 0.00 0.00 179.25 180.54 3itt h THR 405 N 1.22 1.32 -0.52 0.00 2.02 -0.82 -1.14 112.91 114.99 3itt h THR 405 Ca 0.30 -1.70 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3itt h THR 405 Cb 0.05 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 3itt h THR 405 CO -0.05 0.53 0.25 0.22 0.37 0.00 0.00 175.52 176.84 3itt h TYR 406 N 0.33 0.45 -0.22 3.16 3.20 -0.17 -0.19 116.97 123.53 3itt h TYR 406 Ca -0.00 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 3itt h TYR 406 Cb 1.08 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3itt h TYR 406 CO 0.09 0.20 -0.41 0.00 -1.64 0.00 0.00 178.16 176.41 3itt h ARG 407 N 0.48 0.51 -0.14 1.82 3.08 -0.83 -2.89 114.38 116.41 3itt h ARG 407 Ca 0.24 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3itt h ARG 407 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3itt h ARG 407 CO -0.18 0.83 -0.24 0.00 -1.07 0.00 0.00 179.97 179.30 3itt h ALA 408 N 1.14 1.33 0.00 0.04 0.00 -0.49 -2.80 119.26 118.47 3itt h ALA 408 Ca 0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3itt h ALA 408 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3itt h ALA 408 CO 0.08 0.46 -0.46 0.66 0.00 0.00 0.00 179.25 179.98 3itt h SER 409 N 0.23 0.00 -0.45 0.00 4.64 -0.85 -3.47 113.55 113.65 3itt h SER 409 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 3itt h SER 409 Cb 0.56 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 3itt h SER 409 CO 0.04 0.46 -0.13 0.61 -0.87 0.00 0.00 176.83 176.94 3itt n GLY 410 N 0.01 0.70 0.28 -0.77 0.00 -1.06 -4.93 105.19 99.42 3itt n GLY 410 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.33 3itt n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itt h TYR 411 N 0.00 0.60 -0.63 1.61 3.20 -1.86 -1.67 116.97 118.22 3itt h TYR 411 Ca -0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 3itt h TYR 411 Cb 0.58 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3itt h TYR 411 CO 0.18 0.13 0.37 -0.09 -1.64 0.00 0.00 178.16 177.12 3itt h ARG 412 N 0.53 0.85 -0.37 1.82 9.65 -1.92 -1.24 114.38 123.70 3itt h ARG 412 Ca 0.41 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 59.14 3itt h ARG 412 Cb 0.56 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3itt h ARG 412 CO -0.36 0.61 -0.07 0.00 2.80 0.00 0.00 179.97 182.96 3itt h ALA 413 N 1.19 1.18 0.03 2.80 0.00 -1.82 -1.75 119.26 120.88 3itt h ALA 413 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3itt h ALA 413 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3itt h ALA 413 CO -0.04 0.53 -0.01 -0.09 0.00 0.00 0.00 179.25 179.63 3itt h ARG 414 N 0.58 -0.03 0.00 0.00 2.43 -0.54 -1.89 114.38 114.92 3itt h ARG 414 Ca 0.11 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3itt h ARG 414 Cb 0.48 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3itt h ARG 414 CO 0.03 0.11 -0.18 -0.39 -1.51 0.00 0.00 179.97 178.03 3itt h VAL 415 N -0.18 0.47 -0.30 0.20 -1.51 -1.18 -2.24 116.25 111.52 3itt h VAL 415 Ca -0.00 -0.98 -0.11 0.00 -1.23 0.00 0.00 66.70 64.38 3itt h VAL 415 Cb 0.16 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 3itt h VAL 415 CO 0.01 0.18 -0.26 0.00 -1.23 0.00 0.00 177.57 176.27 3itt h ALA 416 N 1.82 0.99 0.00 5.19 0.00 -1.01 0.20 119.26 126.46 3itt h ALA 416 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3itt h ALA 416 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3itt h ALA 416 CO 0.02 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.71 3itt h ALA 417 N 1.20 0.95 0.00 0.00 0.00 -0.76 -3.21 119.26 117.45 3itt h ALA 417 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3itt h ALA 417 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3itt h ALA 417 CO 0.06 0.20 -1.74 0.39 0.00 0.00 0.00 179.25 178.16 3itt n GLU 418 N -3.22 0.65 -4.62 0.00 1.02 -0.92 -4.91 120.64 108.64 3itt n GLU 418 Ca 0.02 -0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.75 3itt n GLU 418 Cb 0.48 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3itt n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3itt s ARG 419 N -3.34 3.44 -0.31 3.49 0.52 0.66 -5.09 118.95 118.32 3itt s ARG 419 Ca -0.06 -0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 3itt s ARG 419 Cb 0.12 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.87 3itt s ARG 419 CO 0.86 0.27 1.05 -2.14 0.02 0.00 0.00 175.30 175.36 3itt s PRO 420 N 0.25 4.06 0.83 3.54 0.02 -1.26 -4.66 135.00 137.78 3itt s PRO 420 Ca -0.06 1.04 -0.12 0.00 0.02 0.00 0.00 61.00 61.88 3itt s PRO 420 Cb -0.15 -3.73 0.09 0.00 0.02 0.00 0.00 34.50 30.73 3itt s PRO 420 CO 0.04 -0.87 1.10 0.00 -0.33 0.00 0.00 177.00 176.94 3itt s ALA 421 N 3.57 2.09 0.19 -1.55 0.00 -1.26 -4.94 121.76 119.86 3itt s ALA 421 Ca 0.44 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 3itt s ALA 421 Cb -0.12 -3.10 0.16 0.00 0.00 0.00 0.00 23.12 20.05 3itt s ALA 421 CO 0.15 -1.90 1.80 0.77 0.00 0.00 0.00 175.76 176.58 3itt h SER 422 N -1.21 0.46 0.00 0.00 0.02 -1.96 -3.53 113.55 107.32 3itt h SER 422 Ca -0.48 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3itt h SER 422 Cb 1.28 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3itt h SER 422 CO 0.59 0.31 0.00 1.33 -1.14 0.00 0.00 176.83 177.93