#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 1.19 -5.24 -1.08 2.47 -1.94 -3.39 114.38 106.39 3itt h ARG 5 Ca 0.00 -0.11 -0.65 0.00 -1.26 0.00 0.00 59.98 57.97 3itt h ARG 5 Cb 0.00 -0.25 -0.24 0.00 -1.65 0.00 0.00 29.97 27.82 3itt h ARG 5 CO 0.00 0.83 -0.71 0.42 0.56 0.00 0.00 179.97 181.07 3itt s ILE 6 N -5.89 3.53 0.19 2.04 -1.09 -1.26 -5.02 121.20 113.70 3itt s ILE 6 Ca -0.12 -0.48 -0.33 0.00 -2.23 0.00 0.00 60.65 57.49 3itt s ILE 6 Cb 0.17 -2.54 -0.14 0.00 -1.58 0.00 0.00 42.46 38.37 3itt s ILE 6 CO 0.81 0.49 1.39 0.00 -1.23 0.00 0.00 174.94 176.40 3itt n ALA 7 N 3.81 0.54 -0.11 9.38 0.00 -1.26 -4.87 120.51 128.01 3itt n ALA 7 Ca -0.18 0.44 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 3itt n ALA 7 Cb 0.52 -2.22 0.26 0.00 0.00 0.00 0.00 19.45 18.01 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 4.48 0.77 -0.36 0.00 4.20 -1.98 -2.11 115.11 120.10 3itt h GLN 8 Ca -0.45 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 3itt h GLN 8 Cb 1.29 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3itt h GLN 8 CO 0.78 0.63 0.18 0.38 -0.67 0.00 0.00 178.83 180.13 3itt h ASP 9 N 0.76 0.44 -0.01 1.46 2.03 -1.99 -0.25 116.42 118.86 3itt h ASP 9 Ca 0.18 -0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.45 3itt h ASP 9 Cb 0.16 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3itt h ASP 9 CO -0.02 0.38 0.00 0.58 -1.03 0.00 0.00 179.24 179.15 3itt h VAL 10 N 0.51 1.24 0.16 4.15 2.07 -1.75 -0.92 116.25 121.70 3itt h VAL 10 Ca 0.13 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3itt h VAL 10 Cb 0.05 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3itt h VAL 10 CO -0.02 0.19 -0.17 0.58 0.02 0.00 0.00 177.57 178.17 3itt h VAL 11 N -0.27 0.62 -0.29 2.57 2.07 -1.23 0.29 116.25 120.03 3itt h VAL 11 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3itt h VAL 11 Cb 0.30 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3itt h VAL 11 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 3itt h ALA 12 N 0.43 0.05 -0.89 1.67 0.00 -1.05 0.15 119.26 119.62 3itt h ALA 12 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3itt h ALA 12 Cb 0.35 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3itt h ALA 12 CO -0.05 -0.56 0.58 -0.09 0.00 0.00 0.00 179.25 179.13 3itt h ARG 13 N -0.13 1.18 -0.01 0.00 2.43 -0.90 0.27 114.38 117.23 3itt h ARG 13 Ca 0.15 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 3itt h ARG 13 Cb 0.36 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3itt h ARG 13 CO -0.37 0.79 -0.59 0.93 -1.51 0.00 0.00 179.97 179.22 3itt h GLU 14 N 1.22 0.02 -0.16 0.20 4.39 -0.24 -2.22 114.58 117.79 3itt h GLU 14 Ca 0.33 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.83 3itt h GLU 14 Cb -0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3itt h GLU 14 CO -0.07 0.61 -0.62 -0.91 -1.16 0.00 0.00 179.01 176.86 3itt h ASN 15 N 0.02 0.82 -0.48 1.42 2.35 -0.18 -3.07 115.58 116.46 3itt h ASN 15 Ca -0.01 -0.61 -0.03 0.00 -0.55 0.00 0.00 56.30 55.10 3itt h ASN 15 Cb 1.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 3itt h ASN 15 CO 0.08 1.29 0.19 0.44 -1.65 0.00 0.00 177.43 177.79 3itt h ASP 16 N 0.39 0.70 -0.21 5.81 3.32 -0.86 0.13 116.42 125.70 3itt h ASP 16 Ca -0.03 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3itt h ASP 16 Cb 1.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3itt h ASP 16 CO 0.13 0.64 0.06 -0.09 -1.72 0.00 0.00 179.24 178.26 3itt h ARG 17 N 0.75 0.41 -0.30 3.56 2.43 -1.37 -2.83 114.38 117.04 3itt h ARG 17 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3itt h ARG 17 Cb 0.17 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3itt h ARG 17 CO -0.01 0.39 0.00 0.54 -1.51 0.00 0.00 179.97 179.38 3itt n ARG 18 N -4.37 2.19 0.07 0.20 1.74 -0.77 -4.67 116.66 111.05 3itt n ARG 18 Ca 0.01 -1.93 -0.12 0.00 -0.77 0.00 0.00 57.85 55.04 3itt n ARG 18 Cb 0.17 -1.33 -0.07 0.00 -1.02 0.00 0.00 32.46 30.21 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 2.79 -0.10 -0.23 7.54 0.00 -0.51 -2.30 119.26 126.44 3itt h ALA 19 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 19 Cb 0.74 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3itt h ALA 19 CO 0.00 -0.56 -0.06 1.03 0.00 0.00 0.00 179.25 179.66 3itt h SER 20 N -0.12 -0.21 -0.46 0.00 0.87 -1.83 -0.42 113.55 111.38 3itt h SER 20 Ca -0.00 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3itt h SER 20 Cb 0.11 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3itt h SER 20 CO -0.01 -0.07 0.09 0.00 -0.53 0.00 0.00 176.83 176.31 3itt h ALA 21 N 1.23 1.18 -0.50 6.23 0.00 -1.88 -2.54 119.26 122.99 3itt h ALA 21 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3itt h ALA 21 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3itt h ALA 21 CO -0.24 0.55 0.12 1.25 0.00 0.00 0.00 179.25 180.94 3itt h LEU 22 N 0.79 0.75 -0.01 0.00 5.85 -0.86 -1.58 115.31 120.24 3itt h LEU 22 Ca 0.17 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3itt h LEU 22 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3itt h LEU 22 CO 0.00 0.79 -0.16 0.50 -0.34 0.00 0.00 178.44 179.23 3itt h LYS 23 N 0.68 -0.25 -0.02 1.25 3.64 -0.84 0.50 116.57 121.52 3itt h LYS 23 Ca 0.16 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3itt h LYS 23 Cb 0.33 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3itt h LYS 23 CO 0.00 -0.17 -0.09 0.93 -2.27 0.00 0.00 179.45 177.85 3itt h GLU 24 N -0.26 -0.14 -0.59 1.90 4.39 -1.30 -1.18 114.58 117.40 3itt h GLU 24 Ca 0.05 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 3itt h GLU 24 Cb 0.33 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3itt h GLU 24 CO -0.16 -0.10 0.08 -0.44 -1.16 0.00 0.00 179.01 177.24 3itt h ASP 25 N -0.15 0.96 -0.30 1.42 3.32 -1.11 -1.23 116.42 119.32 3itt h ASP 25 Ca 0.04 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3itt h ASP 25 Cb 0.21 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3itt h ASP 25 CO -0.11 0.98 0.02 0.22 -1.72 0.00 0.00 179.24 178.63 3itt h TYR 26 N 0.89 0.56 -0.25 4.55 3.20 -0.81 -0.64 116.97 124.47 3itt h TYR 26 Ca 0.18 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3itt h TYR 26 Cb 0.45 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3itt h TYR 26 CO 0.03 0.64 -0.20 0.93 -1.64 0.00 0.00 178.16 177.92 3itt h GLU 27 N 0.32 0.45 -0.06 1.82 5.08 -1.15 0.36 114.58 121.39 3itt h GLU 27 Ca 0.09 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3itt h GLU 27 Cb 0.40 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3itt h GLU 27 CO 0.01 0.63 -0.02 0.00 -1.00 0.00 0.00 179.01 178.63 3itt h ALA 28 N 1.39 0.09 -0.87 3.43 0.00 -1.07 -1.59 119.26 120.63 3itt h ALA 28 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3itt h ALA 28 Cb 0.58 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3itt h ALA 28 CO 0.04 -0.18 0.48 1.25 0.00 0.00 0.00 179.25 180.84 3itt h LEU 29 N -0.24 1.09 -0.95 0.00 5.85 -0.88 -0.84 115.31 119.32 3itt h LEU 29 Ca 0.01 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3itt h LEU 29 Cb 0.45 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3itt h LEU 29 CO 0.01 0.87 0.59 1.23 -0.34 0.00 0.00 178.44 180.80 3itt h GLY 30 N 1.23 1.37 1.32 3.75 0.00 -0.15 0.24 103.07 110.83 3itt h GLY 30 Ca 0.31 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 3itt h GLY 30 CO -0.05 0.54 -0.52 0.00 0.00 0.00 0.00 176.54 176.51 3itt h ALA 31 N 1.32 0.61 -0.33 3.60 0.00 -0.80 -1.21 119.26 122.46 3itt h ALA 31 Ca 0.34 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3itt h ALA 31 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3itt h ALA 31 CO -0.07 0.68 0.03 -0.97 0.00 0.00 0.00 179.25 178.92 3itt h ASN 32 N 0.56 0.55 -0.68 0.00 -0.73 -0.60 -2.21 115.58 112.47 3itt h ASN 32 Ca 0.02 -0.28 -0.04 0.00 1.87 0.00 0.00 56.30 57.86 3itt h ASN 32 Cb 1.09 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.50 3itt h ASN 32 CO 0.11 0.70 0.25 -0.07 -0.37 0.00 0.00 177.43 178.05 3itt h LEU 33 N 0.39 0.95 -0.82 0.34 3.38 -0.47 -2.53 115.31 116.54 3itt h LEU 33 Ca 0.10 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3itt h LEU 33 Cb 0.40 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3itt h LEU 33 CO 0.01 0.88 0.51 0.00 0.09 0.00 0.00 178.44 179.93 3itt h ALA 34 N 1.11 1.11 0.00 1.53 0.00 -1.04 0.17 119.26 122.14 3itt h ALA 34 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3itt h ALA 34 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3itt h ALA 34 CO -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 3itt h ARG 35 N 0.97 0.00 -0.57 0.00 3.08 -0.98 0.98 114.38 117.86 3itt h ARG 35 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3itt h ARG 35 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3itt h ARG 35 CO -0.15 0.01 0.00 0.54 -1.07 0.00 0.00 179.97 179.31 3itt n ARG 36 N -3.21 2.51 -1.82 0.04 1.74 0.36 -4.94 116.66 111.35 3itt n ARG 36 Ca -0.02 -2.33 -0.06 0.00 -0.77 0.00 0.00 57.85 54.66 3itt n ARG 36 Cb 0.15 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.54 0.35 3.32 -0.13 0.00 0.34 -5.04 105.19 105.58 3itt n GLY 37 Ca 0.21 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.29 2.36 -0.52 1.61 1.01 0.11 -4.98 120.40 117.69 3itt s VAL 38 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 3itt s VAL 38 Cb 0.00 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3itt s VAL 38 CO 0.00 0.57 0.71 -0.62 0.00 0.00 0.00 175.10 175.76 3itt s ASP 39 N -0.26 6.25 0.38 3.32 -1.08 -1.26 -2.79 116.67 121.24 3itt s ASP 39 Ca -0.00 -0.77 0.08 0.00 -0.52 0.00 0.00 52.55 51.34 3itt s ASP 39 Cb -0.13 -2.33 0.83 0.00 -1.46 0.00 0.00 42.92 39.83 3itt s ASP 39 CO 0.03 -0.99 1.96 -0.29 0.52 0.00 0.00 175.17 176.40 3itt h ILE 40 N 5.91 0.98 -0.58 4.11 2.10 -1.93 -1.69 117.51 126.40 3itt h ILE 40 Ca -0.27 -0.22 -0.04 0.00 1.08 0.00 0.00 64.86 65.40 3itt h ILE 40 Cb 1.09 0.27 -0.03 0.00 -1.09 0.00 0.00 36.82 37.07 3itt h ILE 40 CO 1.00 0.12 0.19 -0.33 -1.08 0.00 0.00 178.15 178.05 3itt h GLU 41 N 0.65 0.87 -0.51 2.19 4.39 -1.98 -0.43 114.58 119.75 3itt h GLU 41 Ca 0.30 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 3itt h GLU 41 Cb 0.35 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3itt h GLU 41 CO -0.10 0.74 0.04 0.00 -1.16 0.00 0.00 179.01 178.53 3itt h ALA 42 N 1.36 1.11 -0.05 3.43 0.00 -1.74 -0.72 119.26 122.66 3itt h ALA 42 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3itt h ALA 42 Cb 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3itt h ALA 42 CO -0.01 0.57 -0.02 0.28 0.00 0.00 0.00 179.25 180.07 3itt h VAL 43 N 0.78 1.32 -0.73 0.00 2.07 -1.14 -2.73 116.25 115.82 3itt h VAL 43 Ca 0.16 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3itt h VAL 43 Cb 0.41 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3itt h VAL 43 CO 0.01 0.27 0.48 0.74 0.02 0.00 0.00 177.57 179.10 3itt h THR 44 N -0.28 1.14 -0.65 2.57 2.02 -0.92 0.03 112.91 116.83 3itt h THR 44 Ca 0.01 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 3itt h THR 44 Cb 0.45 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3itt h THR 44 CO 0.01 0.17 0.21 0.00 0.37 0.00 0.00 175.52 176.28 3itt h ALA 45 N 1.56 1.15 0.05 6.16 0.00 -1.06 -1.29 119.26 125.83 3itt h ALA 45 Ca 0.28 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3itt h ALA 45 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3itt h ALA 45 CO -0.07 0.59 -1.06 0.87 0.00 0.00 0.00 179.25 179.58 3itt h LYS 46 N 0.95 0.33 -0.45 0.00 1.57 -1.04 -3.29 116.57 114.64 3itt h LYS 46 Ca 0.21 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3itt h LYS 46 Cb 0.26 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3itt h LYS 46 CO -0.01 1.14 -0.12 0.28 -0.57 0.00 0.00 179.45 180.17 3itt h VAL 47 N 0.15 1.26 0.00 0.50 2.07 -0.76 -2.38 116.25 117.09 3itt h VAL 47 Ca -0.10 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3itt h VAL 47 Cb 1.73 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3itt h VAL 47 CO 0.18 0.41 0.00 -1.84 0.02 0.00 0.00 177.57 176.34 3itt n GLU 48 N -4.16 0.00 0.00 1.57 0.28 -0.51 -1.85 120.64 115.98 3itt n GLU 48 Ca 0.01 0.26 0.10 0.00 -0.16 0.00 0.00 57.16 57.37 3itt n GLU 48 Cb 0.38 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.83 3itt n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3itt n LYS 49 N -1.50 1.75 -2.89 3.44 4.76 -0.91 -4.92 118.16 117.89 3itt n LYS 49 Ca 0.03 -1.67 -0.42 0.00 -2.87 0.00 0.00 58.31 53.38 3itt n LYS 49 Cb 0.16 -1.38 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.66 3.22 0.11 2.13 5.36 -0.77 -5.04 117.98 121.33 3itt s PHE 50 Ca 0.23 0.93 0.09 0.00 -0.96 0.00 0.00 56.93 57.23 3itt s PHE 50 Cb 0.16 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.55 3itt s PHE 50 CO 0.25 -0.57 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.18 3itt s PHE 51 N 3.04 2.48 -0.02 10.12 0.08 -1.26 -4.75 117.98 127.67 3itt s PHE 51 Ca 0.35 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3itt s PHE 51 Cb -0.14 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 3itt s PHE 51 CO 0.12 0.35 0.00 0.54 -0.10 0.00 0.00 175.22 176.13 3itt s VAL 52 N -1.09 0.12 0.34 -0.44 0.11 -0.36 -4.73 120.40 114.36 3itt s VAL 52 Ca 0.16 0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 59.03 3itt s VAL 52 Cb -0.10 -0.21 -0.09 0.00 -1.53 0.00 0.00 36.38 34.44 3itt s VAL 52 CO 0.08 0.12 1.17 0.00 -3.33 0.00 0.00 175.10 173.14 3itt s ALA 53 N 0.86 3.31 -0.15 1.54 0.00 0.38 -4.26 121.76 123.45 3itt s ALA 53 Ca -0.08 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 3itt s ALA 53 Cb -0.12 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3itt s ALA 53 CO -0.02 -0.41 0.14 0.14 0.00 0.00 0.00 175.76 175.62 3itt s VAL 54 N -1.29 5.47 0.09 0.00 -7.23 -0.12 -1.00 120.40 116.32 3itt s VAL 54 Ca 0.51 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.59 3itt s VAL 54 Cb -0.32 -3.43 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 3itt s VAL 54 CO 0.42 0.55 0.98 -2.16 -0.31 0.00 0.00 175.10 174.58 3itt s PRO 55 N -0.51 4.66 0.30 4.82 0.04 -1.25 0.02 135.00 143.08 3itt s PRO 55 Ca 0.13 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 3itt s PRO 55 Cb -0.12 -3.39 0.47 0.00 0.04 0.00 0.00 34.50 31.50 3itt s PRO 55 CO 0.02 0.15 1.91 0.66 0.04 0.00 0.00 177.00 179.78 3itt h SER 56 N 5.80 0.82 0.25 6.66 4.64 -1.64 -2.17 113.55 127.91 3itt h SER 56 Ca -0.43 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3itt h SER 56 Cb 1.21 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3itt h SER 56 CO 0.73 0.69 0.00 -2.67 -0.87 0.00 0.00 176.83 174.70 3itt n TRP 57 N -4.35 0.00 1.00 4.77 2.14 -1.26 -3.05 117.44 116.69 3itt n TRP 57 Ca 0.06 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.74 3itt n TRP 57 Cb 0.12 -0.18 0.07 0.00 -0.81 0.00 0.00 31.31 30.52 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 0.50 -1.09 0.20 -1.67 0.00 -0.82 -4.13 105.19 98.18 3itt n GLY 58 Ca 0.13 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3itt n GLY 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3itt h VAL 59 N 0.07 0.00 -2.78 1.61 3.04 -1.65 -3.43 116.25 113.10 3itt h VAL 59 Ca 0.00 -0.83 -0.59 0.00 -1.01 0.00 0.00 66.70 64.28 3itt h VAL 59 Cb 0.50 1.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.57 3itt h VAL 59 CO 0.00 0.00 -0.47 -0.83 -1.01 0.00 0.00 177.57 175.26 3itt s GLY 60 N -4.08 1.99 0.29 3.17 0.00 -1.26 -4.63 107.32 102.81 3itt s GLY 60 Ca 0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 3itt s GLY 60 CO 0.63 -0.89 1.55 -1.59 0.00 0.00 0.00 173.10 172.80 3itt s THR 61 N -1.62 2.20 0.23 0.90 2.01 -1.26 -4.63 115.64 113.47 3itt s THR 61 Ca 0.35 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.53 3itt s THR 61 Cb -0.12 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.33 3itt s THR 61 CO 0.28 0.03 0.32 0.61 -0.69 0.00 0.00 174.62 175.17 3itt n GLY 62 N 1.98 0.95 0.82 4.40 0.00 0.20 -4.94 105.19 108.61 3itt n GLY 62 Ca 0.07 -2.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 3itt n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itt n GLY 63 N 2.48 1.47 2.44 -0.02 0.00 -1.26 -4.40 105.19 105.90 3itt n GLY 63 Ca 0.05 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3itt n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itt n THR 64 N -0.14 0.00 0.49 2.61 -2.24 -0.49 -5.00 114.28 109.51 3itt n THR 64 Ca -0.01 -1.65 0.09 0.00 -2.27 0.00 0.00 64.05 60.21 3itt n THR 64 Cb 0.13 0.42 0.40 0.00 -2.10 0.00 0.00 70.33 69.18 3itt n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3itt n ARG 65 N -0.79 0.08 0.01 -0.78 1.85 -1.26 -2.96 116.66 112.82 3itt n ARG 65 Ca -0.11 0.30 -0.15 0.00 -1.00 0.00 0.00 57.85 56.90 3itt n ARG 65 Cb 0.44 -1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 30.05 3itt n ARG 65 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3itt h PHE 66 N 0.00 0.27 -1.24 2.89 0.04 -2.05 -3.50 116.94 113.35 3itt h PHE 66 Ca 0.00 -0.19 0.33 0.00 2.80 0.00 0.00 57.97 60.90 3itt h PHE 66 Cb 0.32 -0.01 -0.17 0.00 2.20 0.00 0.00 35.95 38.30 3itt h PHE 66 CO 0.00 1.34 0.91 0.00 -0.60 0.00 0.00 178.31 179.96 3itt s ALA 67 N -2.59 -2.26 -0.04 2.45 0.00 -1.16 -5.15 121.76 113.01 3itt s ALA 67 Ca -0.11 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3itt s ALA 67 Cb 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3itt s ALA 67 CO 0.82 -0.80 -0.06 0.50 0.00 0.00 0.00 175.76 176.22 3itt s ARG 68 N -2.22 0.90 -0.69 0.00 3.52 -1.26 -1.40 118.95 117.80 3itt s ARG 68 Ca 0.13 -0.15 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3itt s ARG 68 Cb 0.03 -0.87 0.19 0.00 -1.56 0.00 0.00 34.95 32.74 3itt s ARG 68 CO -0.04 -0.05 0.56 1.19 -0.81 0.00 0.00 175.30 176.15 3itt n PHE 69 N 3.91 3.37 -0.99 5.12 3.72 -1.26 -5.08 117.46 126.25 3itt n PHE 69 Ca -0.24 -4.28 -0.34 0.00 -0.05 0.00 0.00 57.45 52.54 3itt n PHE 69 Cb 0.51 -0.61 0.12 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.67 -0.02 -0.68 -1.08 -0.04 -1.26 -4.97 135.00 128.62 3itt n PRO 70 Ca 0.22 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3itt n PRO 70 Cb 0.37 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.98 3.88 0.55 0.00 -1.26 -5.11 105.19 107.32 3itt n GLY 71 Ca 0.10 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 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 1.05 4.82 -1.37 2.61 -4.23 -1.26 -4.32 115.64 112.94 3itt s THR 72 Ca 0.00 0.53 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 3itt s THR 72 Cb 0.00 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.11 3itt s THR 72 CO 0.00 -0.52 1.17 0.61 -0.54 0.00 0.00 174.62 175.35 3itt n GLY 73 N -1.31 -0.54 3.77 3.99 0.00 -1.26 -4.77 105.19 105.07 3itt n GLY 73 Ca 0.02 0.25 -0.40 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 -6.31 4.15 0.15 1.61 0.41 -1.26 -4.72 118.70 112.72 3itt s GLU 74 Ca 0.58 2.26 -0.33 0.00 -0.41 0.00 0.00 54.97 57.07 3itt s GLU 74 Cb -0.26 -2.93 -0.13 0.00 -1.78 0.00 0.00 34.13 29.04 3itt s GLU 74 CO 0.74 -0.38 1.69 -2.30 -0.49 0.00 0.00 175.26 174.52 3itt n PRO 75 N 0.46 2.44 -0.02 0.39 -0.02 -1.26 -4.89 135.00 132.11 3itt n PRO 75 Ca 0.02 0.88 -0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3itt n PRO 75 Cb 0.42 -2.70 0.04 0.00 -0.02 0.00 0.00 33.50 31.23 3itt n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3itt h ARG 76 N 6.89 0.63 0.00 -0.52 3.08 -1.91 -3.48 114.38 119.07 3itt h ARG 76 Ca -0.45 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.21 3itt h ARG 76 Cb 1.23 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3itt h ARG 76 CO 0.92 1.01 0.00 0.41 -1.07 0.00 0.00 179.97 181.24 3itt n GLY 77 N 0.27 2.41 0.35 0.04 0.00 -1.26 -5.02 105.19 101.98 3itt n GLY 77 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 0.58 1.18 -0.50 -0.61 6.09 -1.91 -1.30 117.51 121.03 3itt h ILE 78 Ca 0.00 -0.36 -0.09 0.00 -1.37 0.00 0.00 64.86 63.04 3itt h ILE 78 Cb 0.00 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 37.33 3itt h ILE 78 CO 0.00 0.19 -0.07 -0.26 -3.07 0.00 0.00 178.15 174.94 3itt h PHE 79 N 1.03 0.98 -0.48 2.19 0.04 -1.96 0.04 116.94 118.78 3itt h PHE 79 Ca 0.29 -0.17 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 3itt h PHE 79 Cb -0.08 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.80 3itt h PHE 79 CO -0.00 0.92 -0.11 -0.44 -0.60 0.00 0.00 178.31 178.08 3itt h ASP 80 N 0.81 0.88 -0.69 2.17 3.32 -1.86 -2.04 116.42 119.01 3itt h ASP 80 Ca 0.14 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 3itt h ASP 80 Cb 0.58 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3itt h ASP 80 CO 0.04 1.00 0.23 0.11 -1.72 0.00 0.00 179.24 178.90 3itt h LYS 81 N 0.79 1.06 -0.46 3.56 1.57 -0.65 -1.72 116.57 120.73 3itt h LYS 81 Ca 0.13 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3itt h LYS 81 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3itt h LYS 81 CO 0.04 0.91 0.00 -0.07 -0.57 0.00 0.00 179.45 179.77 3itt h LEU 82 N 1.01 0.72 -1.13 2.94 3.38 -0.81 -0.63 115.31 120.79 3itt h LEU 82 Ca 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3itt h LEU 82 Cb 0.28 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3itt h LEU 82 CO -0.01 0.79 0.43 0.44 0.09 0.00 0.00 178.44 180.17 3itt h ASP 83 N 0.71 0.91 0.31 -0.43 3.32 -0.79 -0.98 116.42 119.47 3itt h ASP 83 Ca 0.14 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 3itt h ASP 83 Cb 0.43 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3itt h ASP 83 CO 0.02 0.72 -0.87 0.44 -1.72 0.00 0.00 179.24 177.82 3itt h ASP 84 N 1.04 0.52 -0.14 6.45 3.32 -0.66 -3.05 116.42 123.89 3itt h ASP 84 Ca 0.27 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3itt h ASP 84 Cb -0.00 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3itt h ASP 84 CO -0.05 1.18 -0.04 0.00 -1.72 0.00 0.00 179.24 178.61 3itt h ALA 86 N 1.58 1.72 -0.34 0.00 0.00 -1.09 -1.37 119.26 119.76 3itt h ALA 86 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3itt h ALA 86 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3itt h ALA 86 CO 0.01 0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.65 3itt h VAL 87 N 0.19 1.28 -0.48 0.00 2.07 -1.28 0.20 116.25 118.24 3itt h VAL 87 Ca 0.05 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3itt h VAL 87 Cb 0.17 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3itt h VAL 87 CO 0.00 0.38 0.25 0.40 0.02 0.00 0.00 177.57 178.63 3itt h ILE 88 N 0.44 1.18 -0.44 4.57 2.04 -1.19 -2.14 117.51 121.96 3itt h ILE 88 Ca 0.08 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3itt h ILE 88 Cb 0.61 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3itt h ILE 88 CO 0.04 0.19 -0.13 -0.61 0.00 0.00 0.00 178.15 177.64 3itt h GLN 89 N 0.63 0.87 -0.66 2.37 5.75 -1.18 -1.12 115.11 121.77 3itt h GLN 89 Ca 0.17 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 3itt h GLN 89 Cb 0.08 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3itt h GLN 89 CO -0.02 0.99 0.30 0.37 -2.65 0.00 0.00 178.83 177.81 3itt h GLN 90 N 0.70 0.97 0.07 1.69 4.15 -0.83 0.35 115.11 122.22 3itt h GLN 90 Ca 0.11 -0.16 -0.25 0.00 0.77 0.00 0.00 58.65 59.12 3itt h GLN 90 Cb 0.68 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3itt h GLN 90 CO 0.05 0.79 -1.21 -0.07 -1.93 0.00 0.00 178.83 176.46 3itt h LEU 91 N 0.93 0.23 0.00 -2.39 3.38 -1.36 -3.34 115.31 112.75 3itt h LEU 91 Ca 0.23 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3itt h LEU 91 Cb 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3itt h LEU 91 CO -0.02 1.21 -2.06 0.35 0.09 0.00 0.00 178.44 178.00 3itt n THR 92 N -3.42 0.72 -1.75 0.22 -2.24 -0.43 -1.07 114.28 106.30 3itt n THR 92 Ca -0.07 -0.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.91 3itt n THR 92 Cb 1.00 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.45 -1.51 -0.00 -0.78 5.12 0.12 -4.80 116.66 112.36 3itt n ARG 93 Ca -0.19 1.04 0.03 0.00 -1.93 0.00 0.00 57.85 56.81 3itt n ARG 93 Cb 0.84 -5.46 0.03 0.00 -1.16 0.00 0.00 32.46 26.71 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 0.30 2.48 -3.16 7.54 0.00 -1.26 -4.79 120.51 121.62 3itt n ALA 94 Ca -0.19 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.46 3itt n ALA 94 Cb 0.62 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 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 0.36 0.75 0.40 0.00 -2.24 -1.26 -1.22 114.28 111.07 3itt n THR 95 Ca 0.04 -4.76 0.13 0.00 -2.27 0.00 0.00 64.05 57.18 3itt n THR 95 Cb 0.17 -1.10 0.51 0.00 -2.10 0.00 0.00 70.33 67.81 3itt n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3itt h PRO 96 N 3.35 0.00 -6.44 -0.78 0.13 -1.87 -3.40 132.00 122.98 3itt h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 3itt h PRO 96 Cb 0.81 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.68 3itt h PRO 96 CO 0.60 0.00 -0.82 -0.80 -0.23 0.00 0.00 178.00 176.76 3itt s ASN 97 N -4.53 3.66 -0.03 1.44 0.02 -1.26 0.11 114.94 114.35 3itt s ASN 97 Ca 0.04 -0.31 0.01 0.00 -1.02 0.00 0.00 52.86 51.59 3itt s ASN 97 Cb 0.09 -0.65 -0.03 0.00 0.02 0.00 0.00 41.25 40.68 3itt s ASN 97 CO 0.44 0.33 -0.04 -0.69 0.02 0.00 0.00 177.10 177.16 3itt s VAL 98 N -0.70 3.91 -0.30 1.60 1.01 -0.03 -0.95 120.40 124.94 3itt s VAL 98 Ca 0.11 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3itt s VAL 98 Cb -0.10 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3itt s VAL 98 CO 0.00 0.49 0.18 -0.44 0.00 0.00 0.00 175.10 175.33 3itt s SER 99 N -1.18 5.80 0.35 3.32 0.01 0.10 -0.14 113.70 121.96 3itt s SER 99 Ca 0.16 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 3itt s SER 99 Cb -0.11 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 3itt s SER 99 CO 0.05 -0.13 0.60 -0.76 0.41 0.00 0.00 173.24 173.41 3itt s LEU 100 N 1.70 3.96 -0.08 2.44 1.43 -1.25 -1.49 118.68 125.38 3itt s LEU 100 Ca 0.06 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3itt s LEU 100 Cb -0.17 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3itt s LEU 100 CO 0.09 -0.31 -0.11 -2.28 0.23 0.00 0.00 176.35 173.97 3itt s HIS 101 N -2.30 1.48 -0.10 0.29 2.46 -1.26 -1.33 115.29 114.52 3itt s HIS 101 Ca 0.43 -0.60 -0.03 0.00 0.47 0.00 0.00 55.06 55.33 3itt s HIS 101 Cb -0.10 -1.12 -0.03 0.00 -0.13 0.00 0.00 32.58 31.20 3itt s HIS 101 CO 0.35 -0.34 0.01 0.42 -2.47 0.00 0.00 174.74 172.71 3itt s ILE 102 N 0.93 4.42 -2.28 0.89 -1.09 -0.52 -0.16 121.20 123.39 3itt s ILE 102 Ca -0.09 -0.20 0.24 0.00 -2.23 0.00 0.00 60.65 58.36 3itt s ILE 102 Cb -0.15 -2.88 0.54 0.00 -1.58 0.00 0.00 42.46 38.39 3itt s ILE 102 CO 0.00 0.59 1.70 -0.81 -1.23 0.00 0.00 174.94 175.19 3itt n PRO 103 N 2.31 1.54 -0.30 2.79 -0.04 -1.26 -2.56 135.00 137.48 3itt n PRO 103 Ca -0.19 -0.81 0.07 0.00 -0.04 0.00 0.00 63.50 62.54 3itt n PRO 103 Cb 0.54 -1.42 0.23 0.00 -0.04 0.00 0.00 33.50 32.81 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 1.76 0.80 -0.67 0.54 6.55 -1.91 -1.91 115.95 121.11 3itt h TRP 104 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3itt h TRP 104 Cb 0.38 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 3itt h TRP 104 CO 0.05 0.20 0.00 -0.25 -1.05 0.00 0.00 178.44 177.39 3itt n ASP 105 N -4.85 3.87 -4.70 -3.49 8.00 0.78 -4.69 116.55 111.46 3itt n ASP 105 Ca 0.17 -2.11 -0.43 0.00 0.71 0.00 0.00 54.79 53.13 3itt n ASP 105 Cb 0.43 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 1.38 2.30 -3.61 -1.24 4.81 -0.72 -4.92 118.16 116.17 3itt n LYS 106 Ca 0.23 0.82 0.03 0.00 -0.87 0.00 0.00 58.31 58.52 3itt n LYS 106 Cb 0.65 -2.51 -0.00 0.00 0.02 0.00 0.00 35.03 33.18 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 -0.19 -2.40 -0.11 3.14 0.00 -1.26 -5.00 121.76 115.93 3itt s ALA 107 Ca 0.65 0.80 -0.33 0.00 0.00 0.00 0.00 51.96 53.07 3itt s ALA 107 Cb -0.58 0.32 -0.11 0.00 0.00 0.00 0.00 23.12 22.75 3itt s ALA 107 CO 0.51 -1.06 1.95 -3.47 0.00 0.00 0.00 175.76 173.69 3itt n ASP 108 N -0.53 3.41 -0.31 0.00 2.03 -1.26 -4.84 116.55 115.05 3itt n ASP 108 Ca -0.09 0.85 0.09 0.00 0.52 0.00 0.00 54.79 56.16 3itt n ASP 108 Cb 0.63 -1.39 0.25 0.00 -0.72 0.00 0.00 41.12 39.88 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 10.14 0.61 -0.63 -0.67 0.11 -1.96 -0.20 132.00 139.40 3itt h PRO 109 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3itt h PRO 109 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3itt h PRO 109 CO 0.96 0.40 0.31 0.87 -0.21 0.00 0.00 178.00 180.33 3itt h LYS 110 N 0.63 0.89 -0.33 1.05 1.57 -1.88 0.34 116.57 118.84 3itt h LYS 110 Ca 0.49 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 59.00 3itt h LYS 110 Cb 0.72 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3itt h LYS 110 CO -0.38 0.69 -0.42 0.93 -0.57 0.00 0.00 179.45 179.70 3itt h GLU 111 N 0.89 0.86 -0.30 3.15 5.08 -1.45 -0.61 114.58 122.20 3itt h GLU 111 Ca 0.22 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3itt h GLU 111 Cb 0.09 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3itt h GLU 111 CO -0.03 1.13 0.11 -0.07 -1.00 0.00 0.00 179.01 179.15 3itt h LEU 112 N 0.65 0.43 -0.79 1.33 3.38 -0.83 -1.67 115.31 117.81 3itt h LEU 112 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3itt h LEU 112 Cb 1.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3itt h LEU 112 CO 0.10 0.50 0.46 0.50 0.09 0.00 0.00 178.44 180.09 3itt h LYS 113 N 0.34 1.09 -0.37 1.13 1.63 -0.89 -0.12 116.57 119.38 3itt h LYS 113 Ca 0.10 -0.11 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 3itt h LYS 113 Cb 0.21 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3itt h LYS 113 CO -0.01 0.79 -0.24 0.00 -3.45 0.00 0.00 179.45 176.54 3itt h ALA 114 N 1.24 0.89 -0.23 5.00 0.00 -0.94 -1.03 119.26 124.20 3itt h ALA 114 Ca 0.28 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3itt h ALA 114 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3itt h ALA 114 CO -0.05 0.63 -0.57 -0.09 0.00 0.00 0.00 179.25 179.16 3itt h ARG 115 N 0.64 0.72 0.31 0.00 9.65 -1.03 -1.89 114.38 122.78 3itt h ARG 115 Ca 0.09 -0.47 -0.01 0.00 -1.10 0.00 0.00 59.98 58.48 3itt h ARG 115 Cb 0.74 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3itt h ARG 115 CO 0.06 1.09 -0.15 0.78 2.80 0.00 0.00 179.97 184.55 3itt h GLY 116 N 0.86 -0.44 0.91 2.80 0.00 -0.79 -1.23 103.07 105.18 3itt h GLY 116 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3itt h GLY 116 CO 0.12 -0.16 0.64 -0.55 0.00 0.00 0.00 176.54 176.59 3itt h ASP 117 N -0.42 1.08 -0.21 0.19 3.32 -1.19 0.93 116.42 120.12 3itt h ASP 117 Ca -0.04 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3itt h ASP 117 Cb 0.33 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3itt h ASP 117 CO 0.06 0.75 0.05 0.00 -1.72 0.00 0.00 179.24 178.39 3itt h ALA 118 N 1.39 1.55 -0.00 3.45 0.00 -1.05 -2.71 119.26 121.90 3itt h ALA 118 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3itt h ALA 118 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3itt h ALA 118 CO -0.11 0.34 -0.59 1.28 0.00 0.00 0.00 179.25 180.17 3itt n LEU 119 N -4.36 0.60 -0.15 0.00 4.77 -0.49 -4.95 117.00 112.42 3itt n LEU 119 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3itt n LEU 119 Cb 0.18 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3itt n LEU 119 CO 0.37 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3itt n GLY 120 N 1.50 0.74 3.32 -0.72 0.00 -0.38 -4.93 105.19 104.71 3itt n GLY 120 Ca 0.05 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.29 2.17 0.00 0.99 1.43 0.18 -4.89 118.68 118.28 3itt s LEU 121 Ca 0.00 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3itt s LEU 121 Cb 0.00 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 45.06 3itt s LEU 121 CO 0.00 0.22 0.20 0.61 0.23 0.00 0.00 176.35 177.62 3itt n GLY 122 N 1.76 3.12 3.13 -3.19 0.00 0.12 -3.88 105.19 106.25 3itt n GLY 122 Ca -0.17 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.29 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 -2.09 1.88 0.00 1.61 0.40 -1.26 -0.85 117.98 117.67 3itt s PHE 123 Ca 0.15 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 3itt s PHE 123 Cb -0.01 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.23 3itt s PHE 123 CO 0.10 -0.26 0.00 -3.47 0.70 0.00 0.00 175.22 172.29 3itt n ASP 124 N 3.41 0.00 -4.74 1.36 2.03 0.80 -4.24 116.55 115.17 3itt n ASP 124 Ca -0.20 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.71 3itt n ASP 124 Cb 0.53 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 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 1.73 -1.80 -1.67 0.00 -1.26 -4.52 120.51 109.99 3itt n ALA 125 Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 3itt n ALA 125 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.09 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 -2.29 3.78 -0.10 0.00 -1.94 0.94 -3.93 119.30 115.76 3itt s MET 126 Ca 0.60 1.01 0.02 0.00 -1.71 0.00 0.00 55.69 55.61 3itt s MET 126 Cb -0.48 -2.11 0.01 0.00 2.01 0.00 0.00 34.83 34.26 3itt s MET 126 CO 0.59 -0.42 -0.17 -0.80 -0.01 0.00 0.00 175.02 174.21 3itt s ASN 127 N -3.05 2.48 0.45 3.03 0.01 -0.44 -0.04 114.94 117.38 3itt s ASN 127 Ca 0.60 -0.44 -0.04 0.00 -0.71 0.00 0.00 52.86 52.27 3itt s ASN 127 Cb -0.11 -1.13 -0.03 0.00 0.41 0.00 0.00 41.25 40.39 3itt s ASN 127 CO 0.34 0.06 0.72 -0.94 -1.51 0.00 0.00 177.10 175.77 3itt s SER 128 N 0.76 6.23 -0.36 -1.22 1.04 -1.11 -1.44 113.70 117.59 3itt s SER 128 Ca -0.11 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.09 3itt s SER 128 Cb -0.16 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 63.94 3itt s SER 128 CO 0.02 -0.53 0.17 0.21 0.98 0.00 0.00 173.24 174.09 3itt s ASN 129 N -4.10 3.61 -0.19 7.02 3.84 -1.06 -4.70 114.94 119.37 3itt s ASN 129 Ca 0.46 -2.07 0.14 0.00 0.21 0.00 0.00 52.86 51.60 3itt s ASN 129 Cb -0.10 -0.77 0.43 0.00 -0.55 0.00 0.00 41.25 40.27 3itt s ASN 129 CO 0.42 -0.34 1.20 0.35 -2.79 0.00 0.00 177.10 175.94 3itt n THR 130 N 4.26 1.81 0.05 -5.21 -2.24 -1.26 -4.59 114.28 107.10 3itt n THR 130 Ca 0.04 -3.00 0.06 0.00 -2.27 0.00 0.00 64.05 58.89 3itt n THR 130 Cb 0.38 -0.09 0.13 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.72 0.35 -3.62 4.78 1.16 -1.26 -4.64 117.46 113.51 3itt n PHE 131 Ca 0.20 -0.33 -0.12 0.00 -1.87 0.00 0.00 57.45 55.33 3itt n PHE 131 Cb 0.83 -0.02 -0.05 0.00 -1.61 0.00 0.00 39.48 38.63 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 -1.02 -0.31 -0.13 5.98 1.04 -1.26 -4.93 113.70 113.07 3itt s SER 132 Ca 0.23 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 3itt s SER 132 Cb 0.13 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 3itt s SER 132 CO 0.17 -0.77 0.26 -1.81 0.98 0.00 0.00 173.24 172.07 3itt s ASP 133 N -2.39 6.46 0.24 7.02 1.01 -1.26 -4.87 116.67 122.89 3itt s ASP 133 Ca -0.01 0.54 0.03 0.00 0.71 0.00 0.00 52.55 53.82 3itt s ASP 133 Cb 0.00 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 3itt s ASP 133 CO -0.07 0.22 0.38 0.00 0.21 0.00 0.00 175.17 175.91 3itt s ALA 134 N -0.17 3.89 0.41 5.23 0.00 -1.26 -5.06 121.76 124.80 3itt s ALA 134 Ca 0.16 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 3itt s ALA 134 Cb -0.13 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 3itt s ALA 134 CO 0.05 0.28 1.32 -1.25 0.00 0.00 0.00 175.76 176.16 3itt s PRO 135 N -3.83 3.94 0.00 0.00 0.04 -1.26 -3.21 135.00 130.68 3itt s PRO 135 Ca 0.35 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3itt s PRO 135 Cb -0.10 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3itt s PRO 135 CO 0.30 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.22 3itt n GLY 136 N 0.65 0.83 3.74 0.56 0.00 -1.26 -5.03 105.19 104.68 3itt n GLY 136 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3itt n GLY 136 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3itt s GLN 137 N -0.40 4.31 0.20 1.61 -0.21 -1.20 -4.91 119.66 119.06 3itt s GLN 137 Ca 0.00 2.20 -0.07 0.00 0.02 0.00 0.00 55.36 57.51 3itt s GLN 137 Cb 0.00 -3.16 0.12 0.00 1.00 0.00 0.00 33.01 30.97 3itt s GLN 137 CO 0.00 -0.38 1.62 0.00 -2.12 0.00 0.00 175.29 174.41 3itt h ALA 138 N 5.48 0.83 -4.27 6.09 0.00 -1.96 -3.44 119.26 122.00 3itt h ALA 138 Ca -0.45 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 53.54 3itt h ALA 138 Cb 1.21 -0.18 -0.28 0.00 0.00 0.00 0.00 17.79 18.54 3itt h ALA 138 CO 0.80 0.65 -0.84 -1.01 0.00 0.00 0.00 179.25 178.84 3itt s HIS 139 N -4.75 1.71 0.32 0.00 3.76 -1.26 -5.13 115.29 109.94 3itt s HIS 139 Ca -0.10 -0.34 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 3itt s HIS 139 Cb 0.13 -1.08 -0.09 0.00 1.11 0.00 0.00 32.58 32.65 3itt s HIS 139 CO 0.85 0.00 0.74 0.45 -0.85 0.00 0.00 174.74 175.93 3itt s SER 140 N -0.66 6.77 -0.24 1.40 0.15 -1.26 -4.99 113.70 114.88 3itt s SER 140 Ca 0.07 1.28 0.11 0.00 0.70 0.00 0.00 55.95 58.12 3itt s SER 140 Cb -0.08 -2.37 0.72 0.00 -1.71 0.00 0.00 66.02 62.58 3itt s SER 140 CO -0.00 -0.21 1.64 -1.22 1.20 0.00 0.00 173.24 174.65 3itt n TYR 141 N -0.36 1.98 -0.22 3.44 4.01 -1.26 -4.55 117.16 120.19 3itt n TYR 141 Ca 0.04 -0.78 -0.01 0.00 -0.16 0.00 0.00 57.90 56.98 3itt n TYR 141 Cb 0.53 -0.52 0.10 0.00 -0.31 0.00 0.00 39.34 39.14 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 3.22 0.58 -0.52 -0.72 3.64 -1.94 -2.33 116.57 118.49 3itt h LYS 142 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3itt h LYS 142 Cb 1.93 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 3itt h LYS 142 CO 0.51 0.38 0.01 0.66 -2.27 0.00 0.00 179.45 178.74 3itt n TYR 143 N -4.85 1.89 0.00 1.91 4.01 -1.26 -5.05 117.16 113.81 3itt n TYR 143 Ca 0.08 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 3itt n TYR 143 Cb 0.20 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 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 0.37 1.23 0.00 2.72 0.00 -0.88 -4.68 105.19 103.95 3itt n GLY 144 Ca 0.27 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 0.00 0.31 1.61 3.41 -1.26 -4.23 113.62 113.45 3itt n SER 145 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 3itt n SER 145 Cb 0.00 0.00 1.00 0.00 -0.26 0.00 0.00 64.21 64.95 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 -3.01 1.04 3.38 -1.87 -2.18 115.31 112.66 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 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3itt n SER 147 N -3.30 2.69 -4.71 -0.43 3.41 -1.26 -3.73 113.62 106.29 3itt n SER 147 Ca -0.02 -2.35 -0.37 0.00 -0.26 0.00 0.00 58.87 55.86 3itt n SER 147 Cb 0.14 -0.24 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3itt n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3itt n HIS 148 N -0.32 1.77 0.21 7.33 -0.00 -0.82 -4.78 115.22 118.61 3itt n HIS 148 Ca 0.10 0.43 0.06 0.00 -0.00 0.00 0.00 57.72 58.31 3itt n HIS 148 Cb 0.48 -2.26 0.46 0.00 -0.00 0.00 0.00 29.99 28.68 3itt n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3itt h THR 149 N 0.67 0.97 -3.31 3.57 1.35 -1.91 -3.42 112.91 110.83 3itt h THR 149 Ca -0.50 -1.08 -0.59 0.00 -0.55 0.00 0.00 66.41 63.69 3itt h THR 149 Cb 1.34 1.63 -0.08 0.00 -1.73 0.00 0.00 68.15 69.31 3itt h THR 149 CO 0.53 0.28 0.65 0.21 -0.25 0.00 0.00 175.52 176.95 3itt s ASN 150 N -6.61 6.86 0.25 5.36 2.47 -1.26 -4.95 114.94 117.06 3itt s ASN 150 Ca -0.02 0.97 -0.03 0.00 0.42 0.00 0.00 52.86 54.19 3itt s ASN 150 Cb 0.13 -2.49 0.48 0.00 -1.45 0.00 0.00 41.25 37.92 3itt s ASN 150 CO 0.68 -0.73 1.74 0.00 -3.72 0.00 0.00 177.10 175.07 3itt h ALA 151 N 7.97 1.13 -0.15 1.71 0.00 -2.00 -1.35 119.26 126.57 3itt h ALA 151 Ca -0.22 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3itt h ALA 151 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3itt h ALA 151 CO 0.96 -0.17 -0.16 0.00 0.00 0.00 0.00 179.25 179.88 3itt h ALA 152 N 1.54 1.46 -0.36 0.00 0.00 -1.96 -1.35 119.26 118.59 3itt h ALA 152 Ca 0.43 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3itt h ALA 152 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3itt h ALA 152 CO -0.38 0.38 -0.23 1.15 0.00 0.00 0.00 179.25 180.17 3itt h THR 153 N 0.22 1.28 -0.57 0.00 2.02 -1.62 -1.74 112.91 112.52 3itt h THR 153 Ca 0.04 -1.37 -0.04 0.00 0.77 0.00 0.00 66.41 65.81 3itt h THR 153 Cb 0.42 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3itt h THR 153 CO 0.03 0.45 0.19 0.03 0.37 0.00 0.00 175.52 176.59 3itt h ARG 154 N 0.59 0.87 -0.79 6.66 3.08 -1.11 -1.72 114.38 121.97 3itt h ARG 154 Ca 0.07 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3itt h ARG 154 Cb 0.79 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3itt h ARG 154 CO 0.06 0.78 0.52 0.00 -1.07 0.00 0.00 179.97 180.26 3itt h ALA 155 N 1.05 1.44 -0.50 0.04 0.00 -1.12 -0.43 119.26 119.74 3itt h ALA 155 Ca 0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3itt h ALA 155 Cb 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3itt h ALA 155 CO -0.01 0.52 -0.07 0.37 0.00 0.00 0.00 179.25 180.07 3itt h GLN 156 N 1.07 0.92 -0.57 0.00 4.15 -0.88 -1.77 115.11 118.03 3itt h GLN 156 Ca 0.29 -0.33 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 3itt h GLN 156 Cb -0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 3itt h GLN 156 CO -0.06 0.98 0.12 0.00 -1.93 0.00 0.00 178.83 177.94 3itt h ALA 157 N 0.91 0.75 0.07 3.38 0.00 -0.64 -1.84 119.26 121.89 3itt h ALA 157 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3itt h ALA 157 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3itt h ALA 157 CO 0.04 0.47 -0.06 0.28 0.00 0.00 0.00 179.25 179.98 3itt h VAL 158 N 0.82 0.87 -0.91 0.00 2.07 -0.96 -1.86 116.25 116.29 3itt h VAL 158 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 3itt h VAL 158 Cb 0.37 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3itt h VAL 158 CO 0.01 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.11 3itt h GLU 159 N -0.14 0.95 -0.40 1.57 4.57 -1.16 -0.38 114.58 119.59 3itt h GLU 159 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3itt h GLU 159 Cb 0.12 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3itt h GLU 159 CO -0.00 0.63 0.21 1.25 -1.18 0.00 0.00 179.01 179.91 3itt h HIS 160 N 0.98 0.56 -0.56 0.92 2.76 -0.88 -1.01 115.15 117.92 3itt h HIS 160 Ca 0.41 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.52 3itt h HIS 160 Cb 0.30 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 3itt h HIS 160 CO -0.00 0.45 0.20 -0.91 -1.30 0.00 0.00 177.93 176.37 3itt h ASN 161 N 0.51 0.74 -0.17 3.26 2.35 -0.42 -1.73 115.58 120.12 3itt h ASN 161 Ca 0.14 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3itt h ASN 161 Cb 0.09 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3itt h ASN 161 CO -0.02 0.69 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.26 3itt h LEU 162 N 0.80 0.52 -0.72 1.61 3.38 -0.62 -1.92 115.31 118.36 3itt h LEU 162 Ca 0.19 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3itt h LEU 162 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3itt h LEU 162 CO -0.01 0.67 -0.24 -0.08 0.09 0.00 0.00 178.44 178.87 3itt h GLU 163 N 0.49 0.73 -0.69 1.13 4.81 -0.49 -1.93 114.58 118.63 3itt h GLU 163 Ca 0.09 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3itt h GLU 163 Cb 0.50 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3itt h GLU 163 CO 0.03 0.89 0.38 0.00 -0.73 0.00 0.00 179.01 179.58 3itt h ILE 165 N 0.95 1.26 -0.55 0.00 2.04 -1.01 0.36 117.51 120.55 3itt h ILE 165 Ca 0.24 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 3itt h ILE 165 Cb 0.04 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3itt h ILE 165 CO -0.04 0.32 0.20 -0.33 0.00 0.00 0.00 178.15 178.30 3itt h GLU 166 N 1.18 0.84 -0.45 2.37 4.39 -0.77 -0.15 114.58 121.99 3itt h GLU 166 Ca 0.28 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3itt h GLU 166 Cb 0.14 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3itt h GLU 166 CO -0.03 0.74 0.07 0.82 -1.16 0.00 0.00 179.01 179.45 3itt h ILE 167 N 0.76 1.24 -0.72 3.13 2.04 -0.85 -2.66 117.51 120.45 3itt h ILE 167 Ca 0.18 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3itt h ILE 167 Cb 0.23 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3itt h ILE 167 CO -0.01 0.31 0.37 1.23 0.00 0.00 0.00 178.15 180.05 3itt h GLY 168 N 0.60 1.08 1.43 5.37 0.00 -0.65 -2.33 103.07 108.57 3itt h GLY 168 Ca 0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3itt h GLY 168 CO 0.01 0.47 0.16 0.50 0.00 0.00 0.00 176.54 177.68 3itt h LYS 169 N 1.01 0.73 0.00 4.80 1.57 -0.81 0.91 116.57 124.78 3itt h LYS 169 Ca 0.25 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3itt h LYS 169 Cb 0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3itt h LYS 169 CO -0.04 0.63 -0.36 0.00 -0.57 0.00 0.00 179.45 179.12 3itt h ALA 170 N 1.46 0.85 -0.02 3.86 0.00 -1.09 -3.31 119.26 121.02 3itt h ALA 170 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3itt h ALA 170 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3itt h ALA 170 CO -0.01 0.44 -0.17 0.44 0.00 0.00 0.00 179.25 179.95 3itt n ILE 171 N -3.31 0.00 0.00 0.00 -5.35 -1.01 -4.84 119.36 104.85 3itt n ILE 171 Ca 0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3itt n ILE 171 Cb 0.59 1.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.79 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 1.13 0.73 3.78 3.28 0.00 -0.75 -4.65 105.19 108.71 3itt n GLY 172 Ca 0.09 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 -2.20 4.88 -0.03 1.61 0.15 0.24 -4.81 113.70 113.53 3itt s SER 173 Ca 0.00 1.85 0.04 0.00 0.70 0.00 0.00 55.95 58.54 3itt s SER 173 Cb 0.00 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.85 3itt s SER 173 CO 0.00 -1.78 0.93 0.29 1.20 0.00 0.00 173.24 173.87 3itt n LYS 174 N -3.04 0.65 -3.43 5.44 4.76 -1.26 -4.49 118.16 116.78 3itt n LYS 174 Ca 0.09 -1.32 -0.12 0.00 -2.87 0.00 0.00 58.31 54.09 3itt n LYS 174 Cb 0.53 -0.79 -0.02 0.00 -1.84 0.00 0.00 35.03 32.90 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 -0.79 -1.63 -0.09 7.82 0.00 -1.26 -2.04 121.76 123.77 3itt s ALA 175 Ca 0.07 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3itt s ALA 175 Cb 0.07 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.99 3itt s ALA 175 CO 0.01 -0.73 -0.09 -1.17 0.00 0.00 0.00 175.76 173.77 3itt s LEU 176 N -2.61 1.39 -0.19 0.00 2.96 -0.85 -0.04 118.68 119.34 3itt s LEU 176 Ca 0.00 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 3itt s LEU 176 Cb -0.01 -0.82 -0.05 0.00 0.50 0.00 0.00 46.19 45.81 3itt s LEU 176 CO -0.11 -0.05 0.12 -0.89 -1.32 0.00 0.00 176.35 174.10 3itt s THR 177 N 1.24 5.30 -0.29 3.68 2.01 0.94 -0.93 115.64 127.59 3itt s THR 177 Ca -0.04 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.14 3itt s THR 177 Cb -0.14 -3.40 0.07 0.00 0.01 0.00 0.00 72.50 69.04 3itt s THR 177 CO -0.03 0.46 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.62 3itt s VAL 178 N 0.22 2.31 -0.13 3.82 1.01 0.99 -2.77 120.40 125.86 3itt s VAL 178 Ca 0.08 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.27 3itt s VAL 178 Cb -0.11 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3itt s VAL 178 CO -0.01 -0.20 -0.19 0.86 0.00 0.00 0.00 175.10 175.56 3itt s TRP 179 N 1.07 2.36 0.21 5.22 -0.00 -1.26 -2.11 118.94 124.43 3itt s TRP 179 Ca -0.03 -1.17 0.08 0.00 -0.00 0.00 0.00 56.10 54.98 3itt s TRP 179 Cb -0.20 -1.64 -0.05 0.00 -0.00 0.00 0.00 33.47 31.58 3itt s TRP 179 CO -0.05 -0.56 -0.15 0.96 -0.00 0.00 0.00 176.95 177.15 3itt s ILE 180 N 0.90 1.79 -1.35 5.86 -4.36 -1.26 -4.70 121.20 118.08 3itt s ILE 180 Ca -0.07 -2.23 0.25 0.00 -0.26 0.00 0.00 60.65 58.35 3itt s ILE 180 Cb -0.15 -2.07 0.11 0.00 1.25 0.00 0.00 42.46 41.60 3itt s ILE 180 CO -0.02 -0.58 1.46 0.61 0.24 0.00 0.00 174.94 176.65 3itt n GLY 181 N -0.40 -0.94 2.79 6.27 0.00 -1.26 -4.96 105.19 106.69 3itt n GLY 181 Ca -0.08 -0.39 -0.48 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.10 0.26 0.00 1.61 9.92 -1.26 -4.19 116.55 121.78 3itt n ASP 182 Ca 0.08 0.91 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 3itt n ASP 182 Cb 0.34 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 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 1.71 -0.56 3.08 0.44 0.00 -1.26 -1.74 105.19 106.86 3itt n GLY 183 Ca 0.18 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 0.33 0.00 1.61 1.04 0.13 -4.91 113.70 107.91 3itt s SER 184 Ca 0.00 -0.75 0.14 0.00 0.48 0.00 0.00 55.95 55.81 3itt s SER 184 Cb 0.00 0.20 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 3itt s SER 184 CO 0.00 -0.53 0.64 0.59 0.98 0.00 0.00 173.24 174.92 3itt n ASN 185 N 0.56 0.89 -3.92 7.02 4.13 -1.26 -0.87 115.26 121.81 3itt n ASN 185 Ca -0.17 -0.95 -0.13 0.00 1.68 0.00 0.00 54.58 55.01 3itt n ASN 185 Cb 0.59 0.85 -0.13 0.00 -1.54 0.00 0.00 39.78 39.54 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 -2.13 0.22 0.35 3.10 0.08 -1.26 -4.37 117.98 113.97 3itt s PHE 186 Ca 0.07 -0.14 -0.28 0.00 0.12 0.00 0.00 56.93 56.70 3itt s PHE 186 Cb 0.11 -0.14 -0.12 0.00 -0.57 0.00 0.00 43.02 42.30 3itt s PHE 186 CO 0.50 -0.04 1.45 -2.30 -0.10 0.00 0.00 175.22 174.73 3itt n PRO 187 N 2.71 2.51 0.00 0.24 -0.02 -1.26 -1.93 135.00 137.25 3itt n PRO 187 Ca -0.15 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3itt n PRO 187 Cb 0.58 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3itt n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itt n GLY 188 N 0.80 2.83 0.29 -1.23 0.00 -1.26 -4.87 105.19 101.75 3itt n GLY 188 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.31 0.41 -6.68 1.61 4.15 -1.83 -3.41 115.11 109.67 3itt h GLN 189 Ca 0.00 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.74 3itt h GLN 189 Cb 0.00 -0.09 -0.22 0.00 0.21 0.00 0.00 27.48 27.38 3itt h GLN 189 CO 0.00 0.27 -0.85 -1.12 -1.93 0.00 0.00 178.83 175.20 3itt s SER 190 N -5.30 3.13 -0.45 -0.69 0.01 -1.26 -5.09 113.70 104.05 3itt s SER 190 Ca -0.12 -0.75 -0.19 0.00 1.31 0.00 0.00 55.95 56.20 3itt s SER 190 Cb 0.22 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.27 3itt s SER 190 CO 0.77 0.14 0.57 0.21 0.41 0.00 0.00 173.24 175.34 3itt s ASN 191 N -2.09 6.26 0.21 2.44 3.84 -1.26 -4.95 114.94 119.37 3itt s ASN 191 Ca 0.13 -0.57 -0.15 0.00 0.21 0.00 0.00 52.86 52.48 3itt s ASN 191 Cb -0.10 -2.28 0.21 0.00 -0.55 0.00 0.00 41.25 38.54 3itt s ASN 191 CO 0.06 -0.74 1.62 -0.26 -2.79 0.00 0.00 177.10 174.99 3itt h PHE 192 N 8.85 -0.44 -0.28 0.43 0.04 -1.98 -1.02 116.94 122.54 3itt h PHE 192 Ca -0.26 0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 3itt h PHE 192 Cb 1.10 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.53 3itt h PHE 192 CO 0.70 -0.29 -0.12 1.15 -0.60 0.00 0.00 178.31 179.14 3itt h THR 193 N -0.04 1.29 -0.30 -1.55 2.02 -1.99 -2.62 112.91 109.72 3itt h THR 193 Ca 0.29 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.18 3itt h THR 193 Cb 0.48 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3itt h THR 193 CO -0.65 0.38 -0.18 0.03 0.37 0.00 0.00 175.52 175.47 3itt h ARG 194 N 0.32 0.54 -0.59 6.66 3.08 -1.89 -1.00 114.38 121.50 3itt h ARG 194 Ca 0.06 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3itt h ARG 194 Cb 0.63 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3itt h ARG 194 CO 0.04 0.70 -0.01 0.00 -1.07 0.00 0.00 179.97 179.63 3itt h ALA 195 N 1.32 0.85 -0.34 0.04 0.00 -1.21 -1.75 119.26 118.17 3itt h ALA 195 Ca 0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3itt h ALA 195 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3itt h ALA 195 CO 0.04 0.66 -0.31 0.35 0.00 0.00 0.00 179.25 179.99 3itt h PHE 196 N 0.95 0.87 -0.60 0.00 3.57 -1.14 -2.19 116.94 118.41 3itt h PHE 196 Ca 0.17 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3itt h PHE 196 Cb 0.57 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3itt h PHE 196 CO 0.04 0.96 0.28 0.93 -2.23 0.00 0.00 178.31 178.29 3itt h GLU 197 N 0.63 0.87 -0.79 1.11 5.08 -0.88 -0.47 114.58 120.12 3itt h GLU 197 Ca 0.07 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3itt h GLU 197 Cb 0.84 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3itt h GLU 197 CO 0.07 0.71 0.35 0.00 -1.00 0.00 0.00 179.01 179.15 3itt h ARG 198 N 0.82 1.15 -0.24 2.33 3.08 -1.16 -1.92 114.38 118.44 3itt h ARG 198 Ca 0.20 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3itt h ARG 198 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3itt h ARG 198 CO -0.02 0.91 0.11 -0.92 -1.07 0.00 0.00 179.97 178.97 3itt h TYR 199 N 1.12 0.35 -0.94 3.04 5.03 -1.03 -1.87 116.97 122.67 3itt h TYR 199 Ca 0.27 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.58 3itt h TYR 199 Cb 0.16 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 3itt h TYR 199 CO 0.01 0.35 0.62 -0.07 -1.32 0.00 0.00 178.16 177.76 3itt h LEU 200 N 0.24 1.04 -0.41 2.82 3.38 -0.81 0.10 115.31 121.69 3itt h LEU 200 Ca 0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3itt h LEU 200 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3itt h LEU 200 CO -0.01 0.73 -0.03 -1.28 0.09 0.00 0.00 178.44 177.94 3itt h SER 201 N 1.22 0.73 -0.45 -0.43 0.87 -1.15 -1.23 113.55 113.10 3itt h SER 201 Ca 0.36 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3itt h SER 201 Cb -0.04 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3itt h SER 201 CO -0.10 0.88 0.05 0.00 -0.53 0.00 0.00 176.83 177.12 3itt h ALA 202 N 0.88 0.59 0.00 6.23 0.00 -0.77 -2.60 119.26 123.59 3itt h ALA 202 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3itt h ALA 202 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3itt h ALA 202 CO 0.03 0.34 -0.30 0.52 0.00 0.00 0.00 179.25 179.84 3itt h MET 203 N 0.61 0.00 -0.39 0.00 2.07 -0.73 -2.30 114.93 114.19 3itt h MET 203 Ca 0.13 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.67 3itt h MET 203 Cb 0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 3itt h MET 203 CO 0.01 0.30 -0.14 0.00 1.07 0.00 0.00 176.91 178.16 3itt h ALA 204 N 1.70 1.04 -0.37 6.32 0.00 -0.85 -0.33 119.26 126.76 3itt h ALA 204 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3itt h ALA 204 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3itt h ALA 204 CO 0.04 0.58 -0.02 0.93 0.00 0.00 0.00 179.25 180.78 3itt h GLU 205 N 0.63 0.66 -0.77 0.00 5.08 -1.13 -2.27 114.58 116.78 3itt h GLU 205 Ca 0.11 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3itt h GLU 205 Cb 0.60 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3itt h GLU 205 CO 0.04 0.78 0.28 0.82 -1.00 0.00 0.00 179.01 179.93 3itt h ILE 206 N 0.47 1.26 -0.80 3.13 2.04 -1.31 -2.34 117.51 119.97 3itt h ILE 206 Ca 0.10 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.17 3itt h ILE 206 Cb 0.49 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3itt h ILE 206 CO 0.02 0.35 0.52 0.22 0.00 0.00 0.00 178.15 179.26 3itt h TYR 207 N 1.13 0.87 0.00 1.37 5.03 -0.76 -1.13 116.97 123.48 3itt h TYR 207 Ca 0.25 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 3itt h TYR 207 Cb 0.25 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 3itt h TYR 207 CO 0.02 0.45 -0.10 0.87 -1.32 0.00 0.00 178.16 178.08 3itt h LYS 208 N 0.85 0.00 -0.25 1.82 1.57 -0.84 -2.21 116.57 117.51 3itt h LYS 208 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3itt h LYS 208 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3itt h LYS 208 CO -0.12 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.26 3itt n GLY 209 N -0.98 0.29 3.72 3.86 0.00 -0.43 -4.91 105.19 106.73 3itt n GLY 209 Ca -0.02 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.17 4.41 0.99 0.99 1.43 -0.83 -5.02 118.68 119.49 3itt s LEU 210 Ca 0.23 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 3itt s LEU 210 Cb 0.12 -3.48 0.19 0.00 0.03 0.00 0.00 46.19 43.05 3itt s LEU 210 CO 0.17 -0.15 1.09 -2.84 0.23 0.00 0.00 176.35 174.85 3itt s PRO 211 N 0.53 0.43 0.35 1.29 0.02 -1.26 -4.89 135.00 131.47 3itt s PRO 211 Ca 0.47 1.06 0.06 0.00 0.02 0.00 0.00 61.00 62.61 3itt s PRO 211 Cb -0.21 -1.69 0.72 0.00 0.02 0.00 0.00 34.50 33.33 3itt s PRO 211 CO 0.27 -2.88 1.92 -0.44 -0.33 0.00 0.00 177.00 175.54 3itt h ASP 212 N -2.02 0.71 -0.59 2.53 3.32 -2.00 -2.54 116.42 115.83 3itt h ASP 212 Ca -0.52 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 3itt h ASP 212 Cb 1.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3itt h ASP 212 CO 0.49 0.43 0.02 -0.90 -1.72 0.00 0.00 179.24 177.57 3itt n ASP 213 N -4.50 5.70 -4.92 6.45 5.75 -1.26 -4.98 116.55 118.80 3itt n ASP 213 Ca 0.13 -2.97 -0.21 0.00 -0.01 0.00 0.00 54.79 51.73 3itt n ASP 213 Cb 0.29 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 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 -2.80 3.32 0.19 2.11 0.52 -0.96 -4.90 118.94 116.42 3itt s TRP 214 Ca 0.55 -0.06 0.10 0.00 0.02 0.00 0.00 56.10 56.71 3itt s TRP 214 Cb 0.42 -1.52 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 3itt s TRP 214 CO 0.16 0.46 -0.20 0.15 0.02 0.00 0.00 176.95 177.54 3itt s LYS 215 N -3.93 1.41 -0.16 4.98 -0.14 -0.87 -4.84 119.74 116.19 3itt s LYS 215 Ca 0.34 -1.51 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 3itt s LYS 215 Cb -0.09 -1.53 0.03 0.00 -1.68 0.00 0.00 37.83 34.57 3itt s LYS 215 CO 0.28 0.31 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.89 3itt s LEU 216 N -2.83 1.76 -0.19 3.17 2.96 -0.10 -2.01 118.68 121.44 3itt s LEU 216 Ca 0.20 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3itt s LEU 216 Cb -0.06 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3itt s LEU 216 CO 0.09 -0.10 0.00 -0.36 -1.32 0.00 0.00 176.35 174.66 3itt s PHE 217 N 1.51 3.05 -0.17 5.38 0.08 -0.11 -0.78 117.98 126.94 3itt s PHE 217 Ca 0.03 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 3itt s PHE 217 Cb -0.14 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3itt s PHE 217 CO -0.09 -0.18 0.08 -1.54 -0.10 0.00 0.00 175.22 173.38 3itt s SER 218 N 0.88 5.79 -0.24 1.36 1.04 -0.77 -0.01 113.70 121.74 3itt s SER 218 Ca 0.01 0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 3itt s SER 218 Cb -0.14 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 3itt s SER 218 CO 0.02 0.21 0.05 -0.70 0.98 0.00 0.00 173.24 173.80 3itt s GLU 219 N 0.17 3.62 0.46 4.02 2.12 -0.90 -1.70 118.70 126.50 3itt s GLU 219 Ca 0.06 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 3itt s GLU 219 Cb -0.12 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 3itt s GLU 219 CO 0.00 -0.19 0.80 -3.38 -0.54 0.00 0.00 175.26 171.96 3itt s HIS 220 N 1.59 3.53 -0.26 5.30 -3.43 -1.25 -4.70 115.29 116.07 3itt s HIS 220 Ca 0.06 0.95 -0.14 0.00 -0.80 0.00 0.00 55.06 55.13 3itt s HIS 220 Cb -0.15 -2.40 0.08 0.00 -1.43 0.00 0.00 32.58 28.68 3itt s HIS 220 CO 0.03 -0.25 0.63 0.21 -2.00 0.00 0.00 174.74 173.36 3itt s LYS 221 N -4.42 0.64 0.14 -0.38 2.20 -0.31 -4.74 119.74 112.87 3itt s LYS 221 Ca 0.50 1.15 -0.17 0.00 -0.36 0.00 0.00 55.97 57.08 3itt s LYS 221 Cb -0.10 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 3itt s LYS 221 CO 0.40 -0.15 1.75 1.98 -0.36 0.00 0.00 175.35 178.97 3itt h MET 222 N 7.06 0.49 -3.02 4.03 1.85 -1.14 -3.34 114.93 120.87 3itt h MET 222 Ca -0.31 -0.05 0.07 0.00 -0.61 0.00 0.00 59.70 58.80 3itt h MET 222 Cb 1.22 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 33.10 3itt h MET 222 CO 0.18 0.39 0.22 1.52 -0.40 0.00 0.00 176.91 178.83 3itt s TYR 223 N -5.93 -0.17 0.04 1.39 1.13 -1.26 -4.49 117.35 108.05 3itt s TYR 223 Ca -0.13 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 3itt s TYR 223 Cb 0.10 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.66 3itt s TYR 223 CO 0.73 -1.24 0.00 -1.91 -2.51 0.00 0.00 175.55 170.62 3itt n GLU 224 N -0.46 -1.40 0.21 -3.49 2.13 -1.26 -4.81 120.64 111.56 3itt n GLU 224 Ca -0.04 1.37 0.15 0.00 0.66 0.00 0.00 57.16 59.30 3itt n GLU 224 Cb 0.59 -1.23 0.62 0.00 0.27 0.00 0.00 31.44 31.69 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 1.10 0.00 -6.14 5.31 0.13 -1.94 -3.49 132.00 126.97 3itt h PRO 225 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 3itt h PRO 225 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3itt h PRO 225 CO 0.00 0.00 0.16 0.00 -0.23 0.00 0.00 178.00 177.93 3itt s ALA 226 N -3.53 3.30 -0.62 -0.56 0.00 -1.26 -4.97 121.76 114.12 3itt s ALA 226 Ca 0.02 0.24 0.14 0.00 0.00 0.00 0.00 51.96 52.36 3itt s ALA 226 Cb 0.09 -3.04 0.46 0.00 0.00 0.00 0.00 23.12 20.63 3itt s ALA 226 CO 0.46 -0.11 1.38 1.19 0.00 0.00 0.00 175.76 178.68 3itt n PHE 227 N 3.69 0.82 0.04 0.00 3.72 -1.22 -4.56 117.46 119.95 3itt n PHE 227 Ca 0.00 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 3itt n PHE 227 Cb 0.51 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.15 -0.44 -3.93 1.38 9.36 -0.05 -4.91 117.16 118.73 3itt n TYR 228 Ca 0.18 0.08 -0.10 0.00 3.32 0.00 0.00 57.90 61.38 3itt n TYR 228 Cb 0.70 0.18 -0.10 0.00 -0.63 0.00 0.00 39.34 39.49 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 -5.34 0.15 -0.02 2.98 1.04 -0.32 -4.97 113.70 107.23 3itt s SER 229 Ca 0.00 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.05 3itt s SER 229 Cb 0.00 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3itt s SER 229 CO 0.00 -0.39 -0.12 -0.89 0.98 0.00 0.00 173.24 172.81 3itt s THR 230 N -1.84 1.00 0.08 2.02 2.01 -1.26 0.22 115.64 117.87 3itt s THR 230 Ca -0.12 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 3itt s THR 230 Cb -0.06 -0.85 -0.16 0.00 0.01 0.00 0.00 72.50 71.45 3itt s THR 230 CO -0.01 0.29 1.66 0.58 -0.69 0.00 0.00 174.62 176.44 3itt h VAL 231 N 4.99 0.51 -2.90 3.82 2.07 -1.67 -3.08 116.25 119.99 3itt h VAL 231 Ca -0.33 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.38 3itt h VAL 231 Cb 1.17 0.51 -0.27 0.00 -1.52 0.00 0.00 31.29 31.18 3itt h VAL 231 CO 0.49 0.00 0.83 0.52 0.02 0.00 0.00 177.57 179.43 3itt n VAL 232 N -5.36 5.14 0.08 2.57 0.31 -1.26 -4.82 118.33 114.98 3itt n VAL 232 Ca -0.10 -5.72 -0.10 0.00 -0.01 0.00 0.00 64.34 58.40 3itt n VAL 232 Cb 0.27 -2.19 -0.08 0.00 -0.91 0.00 0.00 33.84 30.94 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 5.68 0.16 0.00 5.55 -0.00 -1.66 -0.80 115.11 124.04 3itt h GLN 233 Ca 0.21 -0.22 -0.25 0.00 -0.00 0.00 0.00 58.65 58.39 3itt h GLN 233 Cb 0.66 0.08 -0.06 0.00 -0.00 0.00 0.00 27.48 28.16 3itt h GLN 233 CO 1.30 1.04 -0.12 -0.40 -0.00 0.00 0.00 178.83 180.66 3itt n ASP 234 N -3.53 -1.29 0.25 0.06 5.68 -1.26 -2.07 116.55 114.38 3itt n ASP 234 Ca -0.04 -2.73 0.10 0.00 -0.50 0.00 0.00 54.79 51.63 3itt n ASP 234 Cb 0.91 2.40 0.64 0.00 -1.14 0.00 0.00 41.12 43.92 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 1.93 0.00 -0.22 2.11 5.08 -1.95 -0.97 115.95 121.93 3itt h TRP 235 Ca -0.25 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.69 3itt h TRP 235 Cb 1.09 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 3itt h TRP 235 CO 0.00 0.16 0.04 0.78 -1.28 0.00 0.00 178.44 178.14 3itt h GLY 236 N 0.89 0.38 1.32 11.11 0.00 -1.99 0.21 103.07 114.99 3itt h GLY 236 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3itt h GLY 236 CO 0.02 0.23 -0.38 -0.84 0.00 0.00 0.00 176.54 175.58 3itt h THR 237 N 0.17 1.28 -0.86 4.70 2.02 -1.88 -2.67 112.91 115.67 3itt h THR 237 Ca 0.07 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 3itt h THR 237 Cb 0.30 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 3itt h THR 237 CO 0.00 0.50 0.43 -1.13 0.37 0.00 0.00 175.52 175.69 3itt h ASN 238 N 0.62 1.11 -0.47 4.18 -0.73 -0.95 -1.49 115.58 117.86 3itt h ASN 238 Ca 0.06 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 3itt h ASN 238 Cb 0.92 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 3itt h ASN 238 CO 0.08 0.92 0.22 0.22 -0.37 0.00 0.00 177.43 178.50 3itt h TYR 239 N 1.21 0.68 -0.89 0.67 3.20 -0.42 -2.02 116.97 119.41 3itt h TYR 239 Ca 0.30 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.19 3itt h TYR 239 Cb 0.09 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 3itt h TYR 239 CO 0.01 0.55 0.58 -0.07 -1.64 0.00 0.00 178.16 177.59 3itt h LEU 240 N 0.61 0.88 0.75 2.82 3.38 -1.08 -0.43 115.31 122.24 3itt h LEU 240 Ca 0.16 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3itt h LEU 240 Cb 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3itt h LEU 240 CO -0.02 0.57 -0.36 0.40 0.09 0.00 0.00 178.44 179.12 3itt h ILE 241 N 1.00 0.19 -0.55 1.22 2.04 -0.69 -0.72 117.51 120.00 3itt h ILE 241 Ca 0.38 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 66.16 3itt h ILE 241 Cb 0.20 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 3itt h ILE 241 CO -0.14 0.01 0.28 0.00 0.00 0.00 0.00 178.15 178.30 3itt h ALA 242 N -0.94 0.72 -0.79 1.87 0.00 -1.15 0.30 119.26 119.27 3itt h ALA 242 Ca -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3itt h ALA 242 Cb 0.79 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3itt h ALA 242 CO 0.17 -0.07 0.47 0.37 0.00 0.00 0.00 179.25 180.19 3itt h GLN 243 N 0.53 1.07 -0.20 0.00 4.15 -1.07 -2.38 115.11 117.21 3itt h GLN 243 Ca 0.25 -0.10 -0.19 0.00 0.77 0.00 0.00 58.65 59.38 3itt h GLN 243 Cb 0.17 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 27.64 3itt h GLN 243 CO -0.18 0.75 -0.62 1.15 -1.93 0.00 0.00 178.83 178.01 3itt h THR 244 N 1.09 1.29 -0.13 2.39 2.02 -0.27 -3.35 112.91 115.95 3itt h THR 244 Ca 0.28 -1.82 -0.23 0.00 0.77 0.00 0.00 66.41 65.41 3itt h THR 244 Cb -0.03 1.86 0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3itt h THR 244 CO -0.05 0.58 -0.81 -0.07 0.37 0.00 0.00 175.52 175.54 3itt h LEU 245 N 0.51 0.90 0.00 2.58 3.38 -0.81 -3.50 115.31 118.37 3itt h LEU 245 Ca -0.02 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3itt h LEU 245 Cb 1.24 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3itt h LEU 245 CO 0.13 1.41 0.00 0.61 0.09 0.00 0.00 178.44 180.68 3itt n GLY 246 N 0.74 1.63 0.36 0.83 0.00 -0.91 -4.90 105.19 102.94 3itt n GLY 246 Ca -0.08 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.92 -1.75 132.00 130.07 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 -0.03 1.63 -0.23 0.00 0.00 178.00 179.37 3itt n LYS 248 N -3.88 0.27 -3.51 0.86 5.02 -1.26 -4.80 118.16 110.86 3itt n LYS 248 Ca 0.05 0.22 -0.37 0.00 -2.02 0.00 0.00 58.31 56.19 3itt n LYS 248 Cb 0.49 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.61 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 -3.11 3.59 0.27 7.82 0.00 -0.66 -0.92 121.76 128.75 3itt s ALA 249 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3itt s ALA 249 Cb 0.12 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 3itt s ALA 249 CO 0.61 -0.13 0.11 -0.65 0.00 0.00 0.00 175.76 175.70 3itt s GLN 250 N 0.93 1.45 -0.10 0.00 -0.21 0.04 -4.68 119.66 117.10 3itt s GLN 250 Ca 0.15 -1.80 -0.06 0.00 0.02 0.00 0.00 55.36 53.67 3itt s GLN 250 Cb -0.14 -0.20 -0.04 0.00 1.00 0.00 0.00 33.01 33.64 3itt s GLN 250 CO 0.05 -0.34 0.15 0.00 -2.12 0.00 0.00 175.29 173.03 3itt s LEU 252 N -1.22 3.27 -0.28 0.00 0.20 -0.69 0.75 118.68 120.71 3itt s LEU 252 Ca 0.17 -0.09 -0.08 0.00 0.69 0.00 0.00 54.13 54.83 3itt s LEU 252 Cb -0.12 -1.77 -0.01 0.00 -0.43 0.00 0.00 46.19 43.86 3itt s LEU 252 CO 0.07 0.22 0.09 -0.69 -0.29 0.00 0.00 176.35 175.75 3itt s VAL 253 N 0.07 4.21 -0.29 1.68 1.01 -0.58 -3.97 120.40 122.54 3itt s VAL 253 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3itt s VAL 253 Cb -0.13 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3itt s VAL 253 CO 0.03 0.16 0.15 -0.62 0.00 0.00 0.00 175.10 174.81 3itt s ASP 254 N 1.56 5.59 0.30 3.32 -1.08 -1.26 -0.83 116.67 124.26 3itt s ASP 254 Ca 0.04 -0.32 0.03 0.00 -0.52 0.00 0.00 52.55 51.79 3itt s ASP 254 Cb -0.16 -2.02 0.76 0.00 -1.46 0.00 0.00 42.92 40.04 3itt s ASP 254 CO 0.04 -0.12 1.63 -0.07 0.52 0.00 0.00 175.17 177.17 3itt h LEU 255 N 8.34 -0.02 -0.78 -1.34 3.38 -1.76 -1.45 115.31 121.68 3itt h LEU 255 Ca -0.34 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3itt h LEU 255 Cb 1.16 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3itt h LEU 255 CO 0.59 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.54 3itt n GLY 256 N -1.38 0.11 1.99 0.83 0.00 -1.26 -4.17 105.19 101.31 3itt n GLY 256 Ca 0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 0.03 2.41 -4.40 1.61 8.25 -0.54 -3.48 115.22 119.09 3itt n HIS 257 Ca 0.06 -1.13 -0.24 0.00 -0.26 0.00 0.00 57.72 56.15 3itt n HIS 257 Cb 0.19 -0.67 -0.09 0.00 1.12 0.00 0.00 29.99 30.54 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 -2.91 2.43 0.75 4.41 3.76 -1.26 -2.57 115.29 119.90 3itt s HIS 258 Ca 0.54 -0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.02 3itt s HIS 258 Cb 0.43 -1.08 0.05 0.00 1.11 0.00 0.00 32.58 33.09 3itt s HIS 258 CO 0.14 0.67 1.20 0.00 -0.85 0.00 0.00 174.74 175.89 3itt s ALA 259 N -2.36 2.06 0.27 -1.40 0.00 -1.26 -4.89 121.76 114.18 3itt s ALA 259 Ca 0.30 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3itt s ALA 259 Cb -0.06 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3itt s ALA 259 CO 0.16 -1.96 1.13 -2.30 0.00 0.00 0.00 175.76 172.79 3itt n PRO 260 N -2.90 1.53 -0.85 0.00 -0.02 -1.26 -1.88 135.00 129.62 3itt n PRO 260 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3itt n PRO 260 Cb 0.51 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.38 -2.26 -4.66 2.55 3.02 -1.26 -4.98 115.26 109.05 3itt n ASN 261 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 3itt n ASN 261 Cb 0.31 -1.80 0.02 0.00 -0.61 0.00 0.00 39.78 37.70 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 -2.21 2.68 -2.95 3.41 -1.04 -0.78 -4.90 114.28 108.49 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 0.14 -1.37 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 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 -0.70 6.32 0.15 8.00 3.84 -1.26 -4.87 114.94 126.43 3itt s ASN 263 Ca 0.64 -1.45 -0.09 0.00 0.21 0.00 0.00 52.86 52.16 3itt s ASN 263 Cb -0.52 -2.38 -0.01 0.00 -0.55 0.00 0.00 41.25 37.80 3itt s ASN 263 CO 0.56 -1.23 1.47 0.40 -2.79 0.00 0.00 177.10 175.52 3itt h ILE 264 N 5.89 1.28 0.00 -5.21 2.04 -1.98 -3.13 117.51 116.40 3itt h ILE 264 Ca -0.15 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 3itt h ILE 264 Cb 1.06 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3itt h ILE 264 CO 1.13 0.53 -0.09 1.05 0.00 0.00 0.00 178.15 180.78 3itt h GLU 265 N 0.68 0.00 -0.16 2.37 9.09 -1.90 -1.86 114.58 122.80 3itt h GLU 265 Ca 0.04 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.25 3itt h GLU 265 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3itt h GLU 265 CO 0.10 0.09 -0.72 1.98 0.05 0.00 0.00 179.01 180.51 3itt h MET 266 N 0.00 0.69 -0.79 1.06 4.05 -1.94 -1.99 114.93 116.02 3itt h MET 266 Ca -0.00 -0.54 0.01 0.00 -0.28 0.00 0.00 59.70 58.89 3itt h MET 266 Cb 0.21 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 3itt h MET 266 CO 0.01 1.15 0.52 0.82 0.23 0.00 0.00 176.91 179.65 3itt h ILE 267 N 0.49 1.20 -0.53 1.77 2.04 -1.37 0.67 117.51 121.77 3itt h ILE 267 Ca -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3itt h ILE 267 Cb 1.32 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3itt h ILE 267 CO 0.14 0.19 0.34 0.58 0.00 0.00 0.00 178.15 179.40 3itt h VAL 268 N 1.06 1.15 -0.60 1.67 2.07 -1.29 -1.17 116.25 119.14 3itt h VAL 268 Ca 0.29 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3itt h VAL 268 Cb -0.12 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3itt h VAL 268 CO -0.06 0.15 0.12 0.00 0.02 0.00 0.00 177.57 177.80 3itt h ALA 269 N 1.17 0.79 -0.18 1.67 0.00 -0.61 -1.83 119.26 120.27 3itt h ALA 269 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3itt h ALA 269 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3itt h ALA 269 CO -0.04 0.52 0.08 0.00 0.00 0.00 0.00 179.25 179.81 3itt h ARG 270 N 0.88 0.26 -0.70 0.00 2.47 -0.60 -0.76 114.38 115.94 3itt h ARG 270 Ca 0.18 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 3itt h ARG 270 Cb 0.38 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 3itt h ARG 270 CO 0.01 0.31 0.36 -0.07 0.56 0.00 0.00 179.97 181.13 3itt h LEU 271 N 0.16 0.87 -0.31 3.04 3.38 -1.15 -2.39 115.31 118.91 3itt h LEU 271 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3itt h LEU 271 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3itt h LEU 271 CO -0.01 0.72 0.08 0.40 0.09 0.00 0.00 178.44 179.72 3itt h ILE 272 N 0.98 1.22 -0.77 1.22 2.04 -1.05 0.15 117.51 121.29 3itt h ILE 272 Ca 0.24 -0.73 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3itt h ILE 272 Cb 0.06 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3itt h ILE 272 CO -0.04 0.24 0.51 -0.61 0.00 0.00 0.00 178.15 178.25 3itt h GLN 273 N 0.34 0.72 -0.60 2.37 4.15 -0.69 -1.32 115.11 120.09 3itt h GLN 273 Ca 0.10 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3itt h GLN 273 Cb 0.29 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3itt h GLN 273 CO 0.00 0.48 0.00 1.19 -1.93 0.00 0.00 178.83 178.57 3itt n PHE 274 N -4.50 1.99 -3.57 3.99 3.72 -0.94 -4.96 117.46 113.19 3itt n PHE 274 Ca 0.12 -0.70 -0.26 0.00 -0.05 0.00 0.00 57.45 56.56 3itt n PHE 274 Cb 0.29 -0.46 0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.74 -0.51 0.25 1.37 0.00 -0.50 -4.91 105.19 101.64 3itt n GLY 275 Ca 0.28 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.40 0.93 -2.97 1.61 4.76 0.48 -4.97 118.16 113.61 3itt n LYS 276 Ca -0.01 -2.19 -0.43 0.00 -2.87 0.00 0.00 58.31 52.81 3itt n LYS 276 Cb 0.55 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 32.49 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 -2.08 4.60 -0.01 -0.35 2.96 -1.21 -0.26 118.68 122.34 3itt s LEU 277 Ca 0.24 -0.84 -0.20 0.00 -0.22 0.00 0.00 54.13 53.11 3itt s LEU 277 Cb 0.21 -2.53 -0.28 0.00 0.50 0.00 0.00 46.19 44.09 3itt s LEU 277 CO 0.01 -1.18 1.01 1.23 -1.32 0.00 0.00 176.35 176.10 3itt h GLY 278 N 10.58 0.44 -0.55 7.98 0.00 0.05 -3.43 103.07 118.15 3itt h GLY 278 Ca -0.28 -0.95 0.11 0.00 0.00 0.00 0.00 47.33 46.22 3itt h GLY 278 CO 1.08 0.83 0.28 0.61 0.00 0.00 0.00 176.54 179.35 3itt n GLY 279 N 1.40 0.37 3.28 4.60 0.00 -1.16 -0.63 105.19 113.05 3itt n GLY 279 Ca -0.13 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 3itt n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itt s PHE 280 N -2.25 1.71 -0.33 1.61 0.08 0.09 -1.52 117.98 117.37 3itt s PHE 280 Ca 0.09 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.73 3itt s PHE 280 Cb -0.00 -0.91 0.10 0.00 -0.57 0.00 0.00 43.02 41.63 3itt s PHE 280 CO -0.01 0.22 0.03 -1.01 -0.10 0.00 0.00 175.22 174.36 3itt s HIS 281 N -1.50 3.60 0.19 0.36 3.76 -0.01 -1.24 115.29 120.45 3itt s HIS 281 Ca 0.08 -2.86 -0.28 0.00 -0.15 0.00 0.00 55.06 51.86 3itt s HIS 281 Cb -0.08 -2.74 -0.08 0.00 1.11 0.00 0.00 32.58 30.78 3itt s HIS 281 CO 0.05 -0.94 0.86 -0.06 -0.85 0.00 0.00 174.74 173.80 3itt s PHE 282 N 0.96 3.93 0.00 1.40 0.08 0.93 -2.21 117.98 123.07 3itt s PHE 282 Ca 0.09 1.77 0.00 0.00 0.12 0.00 0.00 56.93 58.90 3itt s PHE 282 Cb -0.19 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3itt s PHE 282 CO -0.08 0.46 0.00 0.27 -0.10 0.00 0.00 175.22 175.76 3itt n ASN 283 N 1.69 0.00 -4.28 1.36 0.23 -1.26 -1.54 115.26 111.46 3itt n ASN 283 Ca -0.03 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.86 3itt n ASN 283 Cb 0.48 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.08 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 1.92 0.21 0.53 -1.08 0.03 -4.59 116.67 113.69 3itt s ASP 284 Ca 0.00 -1.07 -0.23 0.00 -0.52 0.00 0.00 52.55 50.74 3itt s ASP 284 Cb 0.00 -0.02 0.05 0.00 -1.46 0.00 0.00 42.92 41.48 3itt s ASP 284 CO 0.00 -0.36 0.75 -0.94 0.52 0.00 0.00 175.17 175.14 3itt s SER 285 N -3.23 -0.32 0.00 -0.34 1.04 -1.26 -0.75 113.70 108.84 3itt s SER 285 Ca 0.20 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3itt s SER 285 Cb 0.03 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3itt s SER 285 CO 0.03 -1.13 0.00 1.17 0.98 0.00 0.00 173.24 174.29 3itt n LYS 286 N -0.43 1.55 -0.01 4.02 4.81 -1.26 -4.76 118.16 122.08 3itt n LYS 286 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.31 3itt n LYS 286 Cb 0.61 -0.75 -0.02 0.00 0.02 0.00 0.00 35.03 34.89 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 -1.42 0.00 -0.04 5.64 4.01 -1.26 -5.09 117.16 118.99 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 0.25 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 2.78 5.68 2.60 2.72 0.00 -1.26 -4.92 105.19 112.78 3itt n GLY 288 Ca -0.08 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 6.33 0.29 1.61 2.03 -1.23 -4.70 116.55 120.89 3itt n ASP 289 Ca 0.00 -2.89 0.18 0.00 0.52 0.00 0.00 54.79 52.60 3itt n ASP 289 Cb 0.00 -1.53 0.88 0.00 -0.72 0.00 0.00 41.12 39.75 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 5.39 0.00 -6.20 1.67 3.32 -1.84 -3.47 116.42 115.29 3itt h ASP 290 Ca 0.64 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 57.22 3itt h ASP 290 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3itt h ASP 290 CO 1.72 0.04 -0.74 0.47 -1.72 0.00 0.00 179.24 179.01 3itt n ASP 291 N -3.27 -4.96 -4.91 6.45 8.00 -1.24 -4.83 116.55 111.79 3itt n ASP 291 Ca -0.01 -0.74 -0.28 0.00 0.71 0.00 0.00 54.79 54.47 3itt n ASP 291 Cb 0.21 -3.96 0.05 0.00 -0.02 0.00 0.00 41.12 37.40 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 -7.25 2.92 0.13 0.64 1.43 0.07 -2.00 118.68 114.62 3itt s LEU 292 Ca 0.65 0.75 -0.35 0.00 -1.03 0.00 0.00 54.13 54.15 3itt s LEU 292 Cb -0.32 -3.47 -0.15 0.00 0.03 0.00 0.00 46.19 42.28 3itt s LEU 292 CO 0.80 -1.41 1.49 0.47 0.23 0.00 0.00 176.35 177.93 3itt n ASP 293 N -2.90 2.58 -4.65 2.29 9.92 -1.26 -0.79 116.55 121.74 3itt n ASP 293 Ca 0.07 1.10 -0.47 0.00 -0.53 0.00 0.00 54.79 54.95 3itt n ASP 293 Cb 0.59 -1.34 -0.04 0.00 -0.64 0.00 0.00 41.12 39.68 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 3.09 0.72 -0.76 2.24 0.00 -1.26 -2.07 120.51 122.47 3itt n ALA 294 Ca 0.17 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3itt n ALA 294 Cb 0.25 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 3.07 1.07 0.25 0.00 0.00 -1.26 -4.75 105.19 103.56 3itt n GLY 295 Ca 0.17 0.00 0.15 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 -1.78 -3.27 119.26 119.82 3itt h ALA 296 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3itt h ALA 296 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3itt h ALA 296 CO 0.00 0.00 -1.18 -0.89 0.00 0.00 0.00 179.25 177.18 3itt n ILE 297 N -3.02 0.99 -3.70 0.00 2.08 -1.26 -4.92 119.36 109.53 3itt n ILE 297 Ca 0.02 0.02 -0.28 0.00 0.56 0.00 0.00 62.75 63.07 3itt n ILE 297 Cb 0.38 -1.79 -0.12 0.00 -0.75 0.00 0.00 39.64 37.36 3itt n ILE 297 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3itt s GLU 298 N -2.31 1.73 0.38 0.38 2.02 -1.26 -4.96 118.70 114.67 3itt s GLU 298 Ca -0.16 -2.70 0.08 0.00 0.02 0.00 0.00 54.97 52.21 3itt s GLU 298 Cb 0.05 -2.56 0.75 0.00 0.10 0.00 0.00 34.13 32.47 3itt s GLU 298 CO 0.21 -1.30 1.92 -1.00 0.02 0.00 0.00 175.26 175.11 3itt h PRO 299 N 5.70 0.33 -0.55 0.39 0.13 -1.91 -2.91 132.00 133.18 3itt h PRO 299 Ca 0.16 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3itt h PRO 299 Cb 0.84 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3itt h PRO 299 CO 0.56 0.41 0.14 -0.92 -0.23 0.00 0.00 178.00 177.96 3itt h TYR 300 N 0.32 0.92 -0.66 1.56 3.20 -1.93 -1.81 116.97 118.58 3itt h TYR 300 Ca 0.07 -0.11 0.06 0.00 3.14 0.00 0.00 58.73 61.90 3itt h TYR 300 Cb 0.32 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 3itt h TYR 300 CO 0.01 0.79 0.35 -0.09 -1.64 0.00 0.00 178.16 177.58 3itt h ARG 301 N 0.77 0.62 -0.98 1.82 2.43 -1.95 0.15 114.38 117.25 3itt h ARG 301 Ca 0.17 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3itt h ARG 301 Cb 0.34 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3itt h ARG 301 CO 0.00 0.41 0.65 1.25 -1.51 0.00 0.00 179.97 180.77 3itt h LEU 302 N 0.64 1.12 -0.19 3.80 5.85 -1.33 -1.26 115.31 123.93 3itt h LEU 302 Ca 0.30 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3itt h LEU 302 Cb 0.22 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3itt h LEU 302 CO -0.20 0.81 0.09 0.15 -0.34 0.00 0.00 178.44 178.95 3itt h PHE 303 N 1.32 0.28 -0.08 1.25 3.57 -0.28 -2.41 116.94 120.60 3itt h PHE 303 Ca 0.36 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3itt h PHE 303 Cb -0.15 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3itt h PHE 303 CO -0.00 0.30 0.05 -0.07 -2.23 0.00 0.00 178.31 176.36 3itt h LEU 304 N 0.18 0.08 -0.14 0.59 3.38 -0.13 0.26 115.31 119.53 3itt h LEU 304 Ca 0.07 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3itt h LEU 304 Cb 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3itt h LEU 304 CO -0.01 0.06 -0.18 0.58 0.09 0.00 0.00 178.44 178.97 3itt h VAL 305 N 0.09 1.36 0.00 1.22 2.07 -0.97 -2.93 116.25 117.09 3itt h VAL 305 Ca 0.03 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 3itt h VAL 305 Cb 0.01 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3itt h VAL 305 CO -0.01 0.41 -0.24 -0.26 0.02 0.00 0.00 177.57 177.49 3itt h PHE 306 N -0.00 0.00 -0.66 1.57 0.04 -0.78 -1.63 116.94 115.47 3itt h PHE 306 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3itt h PHE 306 Cb 0.73 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 3itt h PHE 306 CO 0.09 0.24 0.38 -0.97 -0.60 0.00 0.00 178.31 177.45 3itt h ASN 307 N 0.00 0.80 -0.16 2.17 -1.24 -0.37 0.79 115.58 117.57 3itt h ASN 307 Ca -0.00 -0.05 -0.17 0.00 0.71 0.00 0.00 56.30 56.79 3itt h ASN 307 Cb 0.46 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 3itt h ASN 307 CO 0.03 0.63 -0.51 -0.33 -1.29 0.00 0.00 177.43 175.95 3itt h GLU 308 N 0.91 0.74 -0.06 6.67 4.39 -1.14 -0.92 114.58 125.18 3itt h GLU 308 Ca 0.24 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 3itt h GLU 308 Cb -0.01 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3itt h GLU 308 CO -0.04 1.07 0.03 -0.07 -1.16 0.00 0.00 179.01 178.84 3itt h LEU 309 N 0.58 0.07 -0.92 1.33 3.38 -0.82 -2.09 115.31 116.84 3itt h LEU 309 Ca 0.02 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3itt h LEU 309 Cb 1.09 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3itt h LEU 309 CO 0.11 0.18 -0.11 0.58 0.09 0.00 0.00 178.44 179.29 3itt h VAL 310 N -0.04 1.25 -0.41 1.22 2.07 -0.89 -2.55 116.25 116.90 3itt h VAL 310 Ca 0.02 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3itt h VAL 310 Cb 0.13 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3itt h VAL 310 CO -0.00 0.37 0.15 -0.78 0.02 0.00 0.00 177.57 177.33 3itt h ASP 311 N 0.61 0.53 -0.29 0.57 3.58 -0.96 0.12 116.42 120.57 3itt h ASP 311 Ca 0.11 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.51 3itt h ASP 311 Cb 0.55 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3itt h ASP 311 CO 0.03 0.50 0.18 0.00 -2.88 0.00 0.00 179.24 177.07 3itt h ALA 312 N 1.58 0.37 -0.67 -0.78 0.00 -0.95 0.32 119.26 119.13 3itt h ALA 312 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3itt h ALA 312 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3itt h ALA 312 CO -0.01 -0.19 0.38 1.49 0.00 0.00 0.00 179.25 180.92 3itt h GLU 313 N 0.36 0.92 -0.57 0.00 4.81 -1.25 -1.23 114.58 117.63 3itt h GLU 313 Ca 0.11 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3itt h GLU 313 Cb -0.01 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3itt h GLU 313 CO -0.05 0.68 0.35 0.00 -0.73 0.00 0.00 179.01 179.26 3itt h ALA 314 N 1.19 0.73 0.00 2.92 0.00 -0.10 0.18 119.26 124.18 3itt h ALA 314 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3itt h ALA 314 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3itt h ALA 314 CO -0.04 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.84 3itt n ARG 315 N -4.74 0.32 -2.90 0.00 1.74 0.10 -4.89 116.66 106.28 3itt n ARG 315 Ca 0.04 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 57.10 3itt n ARG 315 Cb 0.06 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3itt n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itt n GLY 316 N 0.43 0.24 3.72 -0.13 0.00 0.05 -4.96 105.19 104.54 3itt n GLY 316 Ca 0.10 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.07 2.46 0.22 1.61 1.01 -0.57 -4.95 120.40 117.11 3itt s VAL 317 Ca 0.24 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.25 3itt s VAL 317 Cb -0.10 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3itt s VAL 317 CO 0.29 0.02 0.87 -0.54 0.00 0.00 0.00 175.10 175.74 3itt s LYS 318 N 1.28 4.70 -2.04 2.72 -0.14 -1.26 -3.97 119.74 121.02 3itt s LYS 318 Ca 0.72 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 56.65 3itt s LYS 318 Cb -0.45 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.49 3itt s LYS 318 CO 0.32 0.51 0.00 0.41 -0.76 0.00 0.00 175.35 175.82 3itt n GLY 319 N 1.39 1.61 3.57 -3.33 0.00 -1.26 -4.93 105.19 102.24 3itt n GLY 319 Ca -0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.76 2.30 -0.43 1.61 5.36 -1.25 -4.89 117.98 117.93 3itt s PHE 320 Ca 0.00 0.29 0.08 0.00 -0.96 0.00 0.00 56.93 56.34 3itt s PHE 320 Cb 0.00 -4.48 0.27 0.00 -0.34 0.00 0.00 43.02 38.47 3itt s PHE 320 CO 0.00 -1.95 0.60 0.72 -1.46 0.00 0.00 175.22 173.13 3itt n HIS 321 N 9.50 0.42 -1.95 10.12 8.25 -1.26 -5.08 115.22 135.22 3itt n HIS 321 Ca 0.09 -3.70 -0.39 0.00 -0.26 0.00 0.00 57.72 53.46 3itt n HIS 321 Cb 0.49 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 31.22 3itt n HIS 321 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3itt s PRO 322 N -1.67 3.59 -0.16 -0.41 0.04 -1.26 -4.98 135.00 130.15 3itt s PRO 322 Ca 0.37 2.16 -0.22 0.00 0.04 0.00 0.00 61.00 63.36 3itt s PRO 322 Cb 0.20 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 3itt s PRO 322 CO -0.09 -0.81 0.66 0.00 0.04 0.00 0.00 177.00 176.80 3itt s ALA 323 N -1.32 3.49 -0.20 8.56 0.00 0.20 -4.92 121.76 127.58 3itt s ALA 323 Ca 0.64 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.37 3itt s ALA 323 Cb -0.38 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3itt s ALA 323 CO 0.47 -0.43 0.10 -1.01 0.00 0.00 0.00 175.76 174.89 3itt s HIS 324 N 1.61 3.29 0.02 0.00 3.76 -1.26 -0.73 115.29 121.98 3itt s HIS 324 Ca 0.31 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 3itt s HIS 324 Cb -0.16 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.36 3itt s HIS 324 CO 0.12 0.12 -0.03 -1.64 -0.85 0.00 0.00 174.74 172.46 3itt s MET 325 N 0.63 0.28 -0.21 1.40 -1.94 -0.37 -0.47 119.30 118.62 3itt s MET 325 Ca 0.05 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 53.39 3itt s MET 325 Cb -0.13 0.05 -0.05 0.00 2.01 0.00 0.00 34.83 36.72 3itt s MET 325 CO 0.01 -0.03 0.27 0.42 -0.01 0.00 0.00 175.02 175.68 3itt s ILE 326 N -1.18 5.29 -0.49 2.53 1.01 -0.17 -0.05 121.20 128.14 3itt s ILE 326 Ca -0.12 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.01 3itt s ILE 326 Cb -0.08 -3.61 0.14 0.00 0.01 0.00 0.00 42.46 38.91 3itt s ILE 326 CO -0.01 0.32 0.26 -0.62 0.00 0.00 0.00 174.94 174.90 3itt s ASP 327 N 0.89 3.98 0.21 3.58 -1.08 -0.59 -3.79 116.67 119.88 3itt s ASP 327 Ca 0.14 -2.87 0.02 0.00 -0.52 0.00 0.00 52.55 49.32 3itt s ASP 327 Cb -0.14 -1.33 -0.05 0.00 -1.46 0.00 0.00 42.92 39.94 3itt s ASP 327 CO 0.05 -0.24 0.02 -1.10 0.52 0.00 0.00 175.17 174.42 3itt s GLN 328 N -0.04 1.26 -0.05 4.34 -0.21 -1.26 -4.60 119.66 119.10 3itt s GLN 328 Ca 0.18 -1.64 0.02 0.00 0.02 0.00 0.00 55.36 53.94 3itt s GLN 328 Cb -0.24 -0.41 0.02 0.00 1.00 0.00 0.00 33.01 33.38 3itt s GLN 328 CO -0.01 -0.15 -0.07 0.15 -2.12 0.00 0.00 175.29 173.08 3itt s LYS 329 N -3.92 1.10 -0.35 2.91 3.01 -0.85 -4.53 119.74 117.11 3itt s LYS 329 Ca 0.29 -0.23 -0.04 0.00 -1.01 0.00 0.00 55.97 54.98 3itt s LYS 329 Cb 0.06 -1.00 0.07 0.00 -1.01 0.00 0.00 37.83 35.95 3itt s LYS 329 CO 0.08 -0.02 0.11 -1.01 0.51 0.00 0.00 175.35 175.02 3itt s HIS 330 N 0.71 3.38 -0.13 3.18 3.76 -1.26 -4.64 115.29 120.29 3itt s HIS 330 Ca -0.11 -1.95 0.18 0.00 -0.15 0.00 0.00 55.06 53.03 3itt s HIS 330 Cb -0.14 -2.59 -0.18 0.00 1.11 0.00 0.00 32.58 30.78 3itt s HIS 330 CO 0.01 -0.85 0.66 0.09 -0.85 0.00 0.00 174.74 173.80 3itt n ASN 331 N 4.67 0.58 -0.88 1.40 3.02 -1.26 -0.63 115.26 122.16 3itt n ASN 331 Ca -0.09 0.25 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 3itt n ASN 331 Cb 0.43 0.60 0.08 0.00 -0.61 0.00 0.00 39.78 40.28 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 -2.75 0.78 -4.06 2.41 0.24 -1.26 -4.74 118.33 108.94 3itt n VAL 332 Ca -0.12 -1.50 -0.10 0.00 -2.04 0.00 0.00 64.34 60.58 3itt n VAL 332 Cb 0.83 0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 33.57 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 -1.16 0.00 -0.16 3.34 -4.23 -1.26 -5.10 115.64 107.07 3itt s THR 333 Ca 0.27 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.89 3itt s THR 333 Cb 0.29 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3itt s THR 333 CO -0.08 0.00 1.46 -0.62 -0.54 0.00 0.00 174.62 174.83 3itt s ASP 334 N -3.07 6.71 0.32 3.99 -1.08 -1.26 -4.88 116.67 117.39 3itt s ASP 334 Ca 0.28 1.78 0.08 0.00 -0.52 0.00 0.00 52.55 54.17 3itt s ASP 334 Cb 0.02 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.75 3itt s ASP 334 CO 0.11 -0.95 1.78 -0.65 0.52 0.00 0.00 175.17 175.97 3itt h PRO 335 N 9.27 0.68 -0.58 4.34 0.11 -1.87 -1.17 132.00 142.77 3itt h PRO 335 Ca -0.32 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 3itt h PRO 335 Cb 1.13 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3itt h PRO 335 CO 0.98 0.45 0.11 0.82 -0.21 0.00 0.00 178.00 180.15 3itt h ILE 336 N 0.70 1.25 -0.33 4.15 2.04 -1.87 -1.26 117.51 122.20 3itt h ILE 336 Ca 0.57 -0.95 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 3itt h ILE 336 Cb 0.98 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3itt h ILE 336 CO -0.36 0.35 -0.32 -0.33 0.00 0.00 0.00 178.15 177.49 3itt h GLU 337 N 0.85 0.71 -0.22 2.37 5.08 -1.65 -1.78 114.58 119.94 3itt h GLU 337 Ca 0.18 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3itt h GLU 337 Cb 0.39 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3itt h GLU 337 CO 0.01 0.94 -0.05 0.77 -1.00 0.00 0.00 179.01 179.68 3itt h SER 338 N 0.60 0.43 -0.28 1.42 0.02 -1.14 -2.26 113.55 112.34 3itt h SER 338 Ca 0.07 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3itt h SER 338 Cb 0.84 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3itt h SER 338 CO 0.07 0.69 0.09 -0.07 -1.14 0.00 0.00 176.83 176.47 3itt h LEU 339 N 0.16 0.47 0.55 5.07 3.38 -1.18 0.21 115.31 123.98 3itt h LEU 339 Ca 0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3itt h LEU 339 Cb 0.49 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3itt h LEU 339 CO 0.02 0.47 -0.27 0.40 0.09 0.00 0.00 178.44 179.16 3itt h ILE 340 N 0.51 0.39 0.00 1.22 2.04 -1.18 -0.51 117.51 119.97 3itt h ILE 340 Ca 0.12 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3itt h ILE 340 Cb 0.19 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3itt h ILE 340 CO -0.00 0.04 -0.29 0.78 0.00 0.00 0.00 178.15 178.68 3itt h ASN 341 N -0.92 0.00 -0.41 1.72 4.21 -1.23 -0.75 115.58 118.20 3itt h ASN 341 Ca -0.08 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.29 3itt h ASN 341 Cb 0.63 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 3itt h ASN 341 CO 0.12 0.29 -0.32 0.28 -1.29 0.00 0.00 177.43 176.51 3itt h SER 342 N 0.00 1.00 -0.58 5.81 0.02 -0.51 -0.14 113.55 119.15 3itt h SER 342 Ca -0.00 -0.42 -0.09 0.00 -0.84 0.00 0.00 61.79 60.43 3itt h SER 342 Cb 0.54 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3itt h SER 342 CO 0.04 1.22 0.02 0.00 -1.14 0.00 0.00 176.83 176.97 3itt h ALA 343 N 0.83 0.91 -0.70 3.77 0.00 -0.47 -1.99 119.26 121.61 3itt h ALA 343 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3itt h ALA 343 Cb 0.90 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3itt h ALA 343 CO 0.08 0.65 0.19 -0.91 0.00 0.00 0.00 179.25 179.26 3itt h ASN 344 N 0.95 1.04 -0.68 0.00 -0.26 -0.88 -2.16 115.58 113.59 3itt h ASN 344 Ca 0.18 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.63 3itt h ASN 344 Cb 0.51 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 3itt h ASN 344 CO 0.02 1.00 0.20 -0.08 -1.06 0.00 0.00 177.43 177.51 3itt h GLU 345 N 1.04 1.08 -0.33 0.81 4.57 -0.71 0.17 114.58 121.22 3itt h GLU 345 Ca 0.22 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3itt h GLU 345 Cb 0.35 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3itt h GLU 345 CO -0.00 0.93 0.03 0.82 -1.18 0.00 0.00 179.01 179.61 3itt h ILE 346 N 1.04 1.24 -0.19 2.32 2.04 -1.14 -0.72 117.51 122.11 3itt h ILE 346 Ca 0.22 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3itt h ILE 346 Cb 0.32 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3itt h ILE 346 CO -0.00 0.29 -0.16 0.03 0.00 0.00 0.00 178.15 178.31 3itt h ARG 347 N 0.37 0.31 0.33 2.37 3.08 -1.11 -1.66 114.38 118.07 3itt h ARG 347 Ca 0.10 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3itt h ARG 347 Cb 0.39 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3itt h ARG 347 CO 0.01 0.47 -0.19 -0.09 -1.07 0.00 0.00 179.97 179.10 3itt h ARG 348 N 0.29 -0.48 -0.65 0.04 2.43 -0.05 -0.09 114.38 115.87 3itt h ARG 348 Ca 0.05 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3itt h ARG 348 Cb 0.45 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3itt h ARG 348 CO 0.03 -0.32 0.33 0.00 -1.51 0.00 0.00 179.97 178.50 3itt h ALA 349 N 0.16 1.35 -0.04 2.80 0.00 -0.98 -1.96 119.26 120.59 3itt h ALA 349 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3itt h ALA 349 Cb 0.40 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3itt h ALA 349 CO 0.05 0.51 0.02 -0.92 0.00 0.00 0.00 179.25 178.92 3itt h TYR 350 N 0.91 0.06 -0.45 0.00 3.20 -0.97 -1.28 116.97 118.44 3itt h TYR 350 Ca 0.23 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 3itt h TYR 350 Cb 0.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3itt h TYR 350 CO 0.01 0.10 0.28 0.00 -1.64 0.00 0.00 178.16 176.91 3itt h ALA 351 N 0.95 0.57 -0.95 1.82 0.00 -0.74 -1.67 119.26 119.24 3itt h ALA 351 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itt h ALA 351 Cb 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3itt h ALA 351 CO -0.00 -0.03 0.61 1.96 0.00 0.00 0.00 179.25 181.79 3itt h GLN 352 N 0.56 1.27 -0.47 0.00 4.20 -1.24 -1.37 115.11 118.06 3itt h GLN 352 Ca 0.17 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3itt h GLN 352 Cb -0.02 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 3itt h GLN 352 CO -0.07 0.86 0.27 0.00 -0.67 0.00 0.00 178.83 179.22 3itt h ALA 353 N 1.33 1.60 0.00 3.87 0.00 -0.54 -0.94 119.26 124.59 3itt h ALA 353 Ca 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3itt h ALA 353 Cb -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3itt h ALA 353 CO -0.07 0.35 -0.19 -0.07 0.00 0.00 0.00 179.25 179.26 3itt h LEU 354 N 0.65 0.00 -0.13 0.00 3.38 -0.37 -3.01 115.31 115.82 3itt h LEU 354 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3itt h LEU 354 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3itt h LEU 354 CO -0.03 0.19 0.00 -0.07 0.09 0.00 0.00 178.44 178.62 3itt h LEU 355 N 0.00 0.00 -9.48 1.67 3.38 -0.67 -3.46 115.31 106.75 3itt h LEU 355 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3itt h LEU 355 Cb 0.66 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.45 3itt h LEU 355 CO 0.03 0.00 0.98 0.52 0.09 0.00 0.00 178.44 180.06 3itt n VAL 356 N -2.35 0.23 -2.56 1.22 0.31 -1.14 -4.80 118.33 109.23 3itt n VAL 356 Ca 0.05 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.93 3itt n VAL 356 Cb 0.41 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 3itt n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3itt s ASP 357 N 2.14 6.49 0.50 4.52 -1.08 -1.26 -4.82 116.67 123.17 3itt s ASP 357 Ca 0.82 -1.42 0.29 0.00 -0.52 0.00 0.00 52.55 51.73 3itt s ASP 357 Cb -0.60 -2.57 1.01 0.00 -1.46 0.00 0.00 42.92 39.30 3itt s ASP 357 CO 0.40 -1.52 1.85 0.03 0.52 0.00 0.00 175.17 176.45 3itt h ARG 358 N 9.80 0.00 -0.06 4.34 3.08 -1.96 -0.87 114.38 128.71 3itt h ARG 358 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3itt h ARG 358 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 3itt h ARG 358 CO 1.42 0.03 -0.02 0.00 -1.07 0.00 0.00 179.97 180.33 3itt h ALA 359 N 1.97 0.08 -0.58 0.04 0.00 -2.00 -0.60 119.26 118.16 3itt h ALA 359 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3itt h ALA 359 Cb 0.69 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3itt h ALA 359 CO 0.00 -0.19 0.30 0.00 0.00 0.00 0.00 179.25 179.37 3itt h ALA 360 N 0.63 0.75 -0.14 0.00 0.00 -1.92 -2.71 119.26 115.87 3itt h ALA 360 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3itt h ALA 360 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3itt h ALA 360 CO 0.01 0.29 0.04 1.25 0.00 0.00 0.00 179.25 180.84 3itt h LEU 361 N 0.79 0.05 -1.03 0.00 5.85 -1.04 -1.70 115.31 118.22 3itt h LEU 361 Ca 0.20 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.03 3itt h LEU 361 Cb 0.08 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3itt h LEU 361 CO -0.03 0.05 0.63 0.77 -0.34 0.00 0.00 178.44 179.52 3itt h SER 362 N 0.11 0.96 -0.35 1.25 4.64 -0.95 -0.14 113.55 119.07 3itt h SER 362 Ca 0.06 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3itt h SER 362 Cb 0.04 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3itt h SER 362 CO -0.07 0.56 0.17 1.23 -0.87 0.00 0.00 176.83 177.85 3itt h GLY 363 N 1.06 0.55 1.97 -0.77 0.00 -1.09 -0.75 103.07 104.03 3itt h GLY 363 Ca 0.46 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 3itt h GLY 363 CO -0.22 0.26 -0.37 -0.97 0.00 0.00 0.00 176.54 175.25 3itt h TYR 364 N 0.43 0.04 -0.15 5.60 0.05 -0.40 -1.95 116.97 120.59 3itt h TYR 364 Ca 0.12 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.75 3itt h TYR 364 Cb 0.12 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3itt h TYR 364 CO -0.02 0.40 -0.46 1.96 -1.05 0.00 0.00 178.16 178.99 3itt h GLN 365 N 0.03 0.57 -0.40 4.88 4.20 -0.78 0.20 115.11 123.81 3itt h GLN 365 Ca 0.00 -0.42 0.04 0.00 0.06 0.00 0.00 58.65 58.33 3itt h GLN 365 Cb 0.66 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 3itt h GLN 365 CO 0.05 1.04 0.17 0.93 -0.67 0.00 0.00 178.83 180.35 3itt h GLU 366 N 0.22 0.34 -0.05 1.46 5.08 -0.88 -2.39 114.58 118.35 3itt h GLU 366 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3itt h GLU 366 Cb 1.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3itt h GLU 366 CO 0.10 0.23 0.00 -0.25 -1.00 0.00 0.00 179.01 178.08 3itt n ASP 367 N -4.97 0.91 -3.45 1.42 8.00 -0.76 -4.93 116.55 112.78 3itt n ASP 367 Ca 0.02 -1.44 -0.24 0.00 0.71 0.00 0.00 54.79 53.85 3itt n ASP 367 Cb 0.12 -0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.24 -6.34 -4.44 -2.24 4.13 -0.68 -4.90 115.26 100.55 3itt n ASN 368 Ca 0.18 -0.47 -0.44 0.00 1.68 0.00 0.00 54.58 55.53 3itt n ASN 368 Cb 0.23 -5.02 -0.00 0.00 -1.54 0.00 0.00 39.78 33.45 3itt n ASN 368 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3itt s ASP 369 N -3.15 7.11 0.24 6.41 -1.08 0.61 -4.85 116.67 121.96 3itt s ASP 369 Ca 0.51 -3.08 -0.05 0.00 -0.52 0.00 0.00 52.55 49.41 3itt s ASP 369 Cb -0.23 -2.37 0.35 0.00 -1.46 0.00 0.00 42.92 39.22 3itt s ASP 369 CO 0.64 -0.67 1.85 0.00 0.52 0.00 0.00 175.17 177.50 3itt h ALA 370 N 7.10 1.20 -0.16 3.66 0.00 -1.91 -0.55 119.26 128.60 3itt h ALA 370 Ca 0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3itt h ALA 370 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3itt h ALA 370 CO 1.20 0.26 0.03 1.25 0.00 0.00 0.00 179.25 181.99 3itt h LEU 371 N 0.95 0.25 -0.82 0.00 6.46 -1.97 -1.90 115.31 118.29 3itt h LEU 371 Ca 0.38 -0.24 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 3itt h LEU 371 Cb 0.21 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3itt h LEU 371 CO -0.19 0.43 -0.52 0.24 -0.62 0.00 0.00 178.44 177.78 3itt h MET 372 N 0.06 0.00 0.05 1.25 2.86 -1.94 -1.53 114.93 115.69 3itt h MET 372 Ca 0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3itt h MET 372 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3itt h MET 372 CO 0.00 0.52 -0.03 0.00 1.06 0.00 0.00 176.91 178.46 3itt h ALA 373 N 1.48 -0.07 -0.25 6.32 0.00 -0.97 -0.35 119.26 125.42 3itt h ALA 373 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3itt h ALA 373 Cb 1.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3itt h ALA 373 CO 0.07 -0.43 -0.20 0.00 0.00 0.00 0.00 179.25 178.68 3itt h THR 374 N -0.28 1.25 0.00 0.00 1.03 -1.28 -2.34 112.91 111.29 3itt h THR 374 Ca -0.01 -1.15 -0.09 0.00 -0.01 0.00 0.00 66.41 65.15 3itt h THR 374 Cb 0.25 1.28 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 3itt h THR 374 CO 0.01 0.37 -0.42 -0.08 -0.01 0.00 0.00 175.52 175.39 3itt h GLU 375 N 0.41 0.00 -0.52 0.00 4.57 -1.14 -1.09 114.58 116.82 3itt h GLU 375 Ca 0.07 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 3itt h GLU 375 Cb 0.59 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 3itt h GLU 375 CO 0.04 0.42 -0.09 1.15 -1.18 0.00 0.00 179.01 179.35 3itt h THR 376 N 0.00 1.26 -0.30 0.32 2.02 -0.51 0.41 112.91 116.12 3itt h THR 376 Ca -0.00 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.83 3itt h THR 376 Cb 0.78 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3itt h THR 376 CO 0.06 0.43 -0.30 -0.07 0.37 0.00 0.00 175.52 176.01 3itt h LEU 377 N 0.85 0.78 -1.33 2.58 3.38 -1.26 -3.13 115.31 117.19 3itt h LEU 377 Ca 0.14 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3itt h LEU 377 Cb 0.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3itt h LEU 377 CO 0.04 1.09 0.06 0.11 0.09 0.00 0.00 178.44 179.83 3itt h LYS 378 N 0.49 0.51 -0.31 1.13 1.79 -0.91 -1.00 116.57 118.26 3itt h LYS 378 Ca 0.05 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3itt h LYS 378 Cb 0.87 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 3itt h LYS 378 CO 0.07 0.49 0.16 0.00 -1.08 0.00 0.00 179.45 179.09 3itt h ARG 379 N 0.50 0.42 0.06 3.15 3.08 -0.86 0.21 114.38 120.94 3itt h ARG 379 Ca 0.11 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3itt h ARG 379 Cb 0.24 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3itt h ARG 379 CO 0.00 0.32 -0.38 0.00 -1.07 0.00 0.00 179.97 178.85 3itt h ALA 380 N 1.75 -0.04 -0.62 0.04 0.00 -1.41 -3.29 119.26 115.68 3itt h ALA 380 Ca 0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3itt h ALA 380 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3itt h ALA 380 CO -0.02 0.17 0.32 -0.92 0.00 0.00 0.00 179.25 178.81 3itt h TYR 381 N -0.69 0.84 0.00 0.00 3.20 -0.88 -2.13 116.97 117.31 3itt h TYR 381 Ca -0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3itt h TYR 381 Cb 1.29 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3itt h TYR 381 CO 0.24 0.60 0.00 0.54 -1.64 0.00 0.00 178.16 177.90 3itt n ARG 382 N -4.37 0.20 -2.12 1.82 1.74 0.71 -4.76 116.66 109.88 3itt n ARG 382 Ca 0.06 0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 3itt n ARG 382 Cb 0.11 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 29.70 3itt n ARG 382 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3itt s THR 383 N -3.22 3.41 -0.74 0.55 2.01 -0.80 -4.94 115.64 111.91 3itt s THR 383 Ca 0.07 0.88 -0.25 0.00 0.31 0.00 0.00 61.69 62.70 3itt s THR 383 Cb 0.11 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 69.10 3itt s THR 383 CO 0.46 0.02 1.18 -0.62 -0.69 0.00 0.00 174.62 174.96 3itt s ASP 384 N 1.83 6.20 0.00 3.53 2.15 -1.26 -4.86 116.67 124.26 3itt s ASP 384 Ca 0.67 -0.75 0.11 0.00 0.43 0.00 0.00 52.55 53.01 3itt s ASP 384 Cb -0.35 -2.51 0.36 0.00 -0.30 0.00 0.00 42.92 40.12 3itt s ASP 384 CO 0.29 -1.66 1.29 1.33 -0.17 0.00 0.00 175.17 176.25 3itt n VAL 385 N 6.24 0.38 -0.35 1.11 0.24 -1.26 -4.39 118.33 120.30 3itt n VAL 385 Ca 0.04 -0.40 0.14 0.00 -2.04 0.00 0.00 64.34 62.07 3itt n VAL 385 Cb 0.48 0.22 0.34 0.00 -1.47 0.00 0.00 33.84 33.41 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 1.83 0.71 -0.34 7.34 4.57 -1.98 0.94 114.58 127.66 3itt h GLU 386 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3itt h GLU 386 Cb 0.42 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3itt h GLU 386 CO 0.00 0.47 0.12 -1.35 -1.18 0.00 0.00 179.01 177.07 3itt h PRO 387 N 0.74 0.48 -0.30 0.92 0.11 -1.92 -0.83 132.00 131.19 3itt h PRO 387 Ca 0.58 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.55 3itt h PRO 387 Cb 0.94 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3itt h PRO 387 CO -0.38 0.41 -0.10 0.82 -0.21 0.00 0.00 178.00 178.55 3itt h ILE 388 N 0.48 1.29 -0.62 4.15 2.04 -1.15 -1.28 117.51 122.40 3itt h ILE 388 Ca 0.12 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 3itt h ILE 388 Cb 0.13 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3itt h ILE 388 CO -0.01 0.37 0.12 -0.07 0.00 0.00 0.00 178.15 178.56 3itt h LEU 389 N 0.35 0.97 -0.25 1.44 3.38 -1.05 -0.98 115.31 119.17 3itt h LEU 389 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3itt h LEU 389 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3itt h LEU 389 CO 0.03 0.97 0.08 0.00 0.09 0.00 0.00 178.44 179.62 3itt h ALA 390 N 1.03 0.33 -0.74 1.53 0.00 -1.08 -1.65 119.26 118.68 3itt h ALA 390 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3itt h ALA 390 Cb 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3itt h ALA 390 CO 0.01 -0.04 0.26 1.49 0.00 0.00 0.00 179.25 180.97 3itt h GLU 391 N 0.24 1.13 -0.67 0.00 4.57 -1.13 0.09 114.58 118.81 3itt h GLU 391 Ca 0.08 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3itt h GLU 391 Cb 0.24 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3itt h GLU 391 CO -0.00 0.94 0.43 0.00 -1.18 0.00 0.00 179.01 179.20 3itt h ALA 392 N 1.19 1.50 -0.07 2.92 0.00 -0.95 -1.01 119.26 122.84 3itt h ALA 392 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3itt h ALA 392 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3itt h ALA 392 CO -0.01 0.46 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 3itt h ARG 393 N 0.91 0.27 -0.34 0.00 3.08 -0.54 -3.11 114.38 114.65 3itt h ARG 393 Ca 0.24 -0.20 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3itt h ARG 393 Cb -0.08 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 3itt h ARG 393 CO -0.05 0.83 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.51 3itt h ARG 394 N -0.23 0.01 0.00 0.04 2.43 -0.52 0.38 114.38 116.49 3itt h ARG 394 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3itt h ARG 394 Cb 0.85 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3itt h ARG 394 CO 0.05 0.01 0.00 0.07 -1.51 0.00 0.00 179.97 178.58 3itt h ARG 395 N 0.01 0.00 -0.49 0.20 0.11 -1.29 -3.10 114.38 109.82 3itt h ARG 395 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 3itt h ARG 395 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 3itt h ARG 395 CO -0.34 0.00 0.00 0.25 0.10 0.00 0.00 179.97 179.98 3itt n THR 396 N -2.56 1.11 -0.34 0.08 -2.24 -0.79 -4.95 114.28 104.59 3itt n THR 396 Ca 0.02 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 3itt n THR 396 Cb 0.27 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.88 0.76 0.00 3.38 0.00 -0.97 -5.00 105.19 104.24 3itt n GLY 397 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.19 0.46 3.69 -0.02 0.00 0.13 -4.82 105.19 102.44 3itt n GLY 398 Ca 0.00 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.97 3.31 0.22 4.61 0.00 -0.23 -4.23 121.76 122.46 3itt s ALA 399 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 3itt s ALA 399 Cb 0.00 -1.46 0.22 0.00 0.00 0.00 0.00 23.12 21.88 3itt s ALA 399 CO 0.00 0.61 1.86 0.28 0.00 0.00 0.00 175.76 178.50 3itt h VAL 400 N 3.97 1.10 -3.24 0.00 2.07 -1.88 -3.32 116.25 114.95 3itt h VAL 400 Ca -0.50 -0.32 -0.61 0.00 0.82 0.00 0.00 66.70 66.09 3itt h VAL 400 Cb 1.19 0.10 -0.40 0.00 -1.52 0.00 0.00 31.29 30.65 3itt h VAL 400 CO 0.55 0.17 -0.73 -0.62 0.02 0.00 0.00 177.57 176.96 3itt s ASP 401 N -5.78 4.10 0.14 0.57 -1.08 -1.26 -4.72 116.67 108.63 3itt s ASP 401 Ca -0.13 -2.18 -0.20 0.00 -0.52 0.00 0.00 52.55 49.52 3itt s ASP 401 Cb 0.16 -1.15 0.00 0.00 -1.46 0.00 0.00 42.92 40.48 3itt s ASP 401 CO 0.78 -0.35 1.68 -0.65 0.52 0.00 0.00 175.17 177.15 3itt h PRO 402 N 7.42 -0.09 -0.56 4.34 0.11 -1.85 -1.67 132.00 139.72 3itt h PRO 402 Ca -0.07 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 3itt h PRO 402 Cb 0.98 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3itt h PRO 402 CO 0.50 -0.06 -0.09 0.28 -0.21 0.00 0.00 178.00 178.43 3itt h VAL 403 N -0.09 1.27 -0.59 3.15 2.07 -1.95 -0.65 116.25 119.46 3itt h VAL 403 Ca 0.12 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3itt h VAL 403 Cb 0.27 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3itt h VAL 403 CO -0.27 0.44 0.07 0.00 0.02 0.00 0.00 177.57 177.83 3itt h ALA 404 N 0.96 1.01 -0.32 1.67 0.00 -1.97 -1.24 119.26 119.37 3itt h ALA 404 Ca 0.15 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3itt h ALA 404 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3itt h ALA 404 CO 0.05 0.62 -0.45 1.15 0.00 0.00 0.00 179.25 180.62 3itt h THR 405 N 0.90 1.28 -0.40 0.00 2.02 -1.15 -1.04 112.91 114.53 3itt h THR 405 Ca 0.18 -1.63 0.02 0.00 0.77 0.00 0.00 66.41 65.74 3itt h THR 405 Cb 0.43 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3itt h THR 405 CO 0.01 0.53 0.23 0.22 0.37 0.00 0.00 175.52 176.89 3itt h TYR 406 N 0.67 0.43 -0.49 3.16 3.20 -0.83 -1.20 116.97 121.92 3itt h TYR 406 Ca 0.04 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3itt h TYR 406 Cb 1.03 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3itt h TYR 406 CO 0.06 0.25 -0.00 0.00 -1.64 0.00 0.00 178.16 176.83 3itt h ARG 407 N 0.47 0.86 -0.21 1.82 3.08 -1.11 -2.78 114.38 116.51 3itt h ARG 407 Ca 0.16 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3itt h ARG 407 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3itt h ARG 407 CO -0.08 0.90 0.02 0.00 -1.07 0.00 0.00 179.97 179.74 3itt h ALA 408 N 0.93 1.64 0.00 0.04 0.00 -0.87 -2.54 119.26 118.46 3itt h ALA 408 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3itt h ALA 408 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3itt h ALA 408 CO 0.03 0.28 -0.37 0.66 0.00 0.00 0.00 179.25 179.84 3itt h SER 409 N 0.30 0.00 -0.18 0.00 4.64 -0.94 -3.47 113.55 113.91 3itt h SER 409 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3itt h SER 409 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3itt h SER 409 CO 0.00 0.37 -0.05 0.61 -0.87 0.00 0.00 176.83 176.89 3itt n GLY 410 N -0.33 0.54 0.18 -0.77 0.00 -0.96 -4.96 105.19 98.89 3itt n GLY 410 Ca -0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.31 -0.80 1.61 3.20 -1.85 -2.28 116.97 116.54 3itt h TYR 411 Ca -0.06 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.94 3itt h TYR 411 Cb 0.33 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.69 3itt h TYR 411 CO 0.08 -0.19 0.43 -0.09 -1.64 0.00 0.00 178.16 176.75 3itt h ARG 412 N -0.12 0.68 -0.12 1.82 9.65 -1.93 -0.61 114.38 123.76 3itt h ARG 412 Ca 0.12 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.86 3itt h ARG 412 Cb 0.29 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3itt h ARG 412 CO -0.28 0.45 -0.33 0.00 2.80 0.00 0.00 179.97 182.62 3itt h ALA 413 N 1.47 1.22 0.24 2.80 0.00 -1.89 -1.54 119.26 121.56 3itt h ALA 413 Ca 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3itt h ALA 413 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3itt h ALA 413 CO -0.28 0.53 -0.12 -0.09 0.00 0.00 0.00 179.25 179.29 3itt h ARG 414 N 0.21 -0.32 0.00 0.00 2.43 -0.58 -2.59 114.38 113.54 3itt h ARG 414 Ca 0.03 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3itt h ARG 414 Cb 0.69 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3itt h ARG 414 CO 0.05 -0.01 -0.19 -0.39 -1.51 0.00 0.00 179.97 177.93 3itt h VAL 415 N -0.64 0.66 -0.59 0.20 -1.51 -1.24 -2.13 116.25 111.00 3itt h VAL 415 Ca -0.03 -0.81 -0.07 0.00 -1.23 0.00 0.00 66.70 64.56 3itt h VAL 415 Cb 0.45 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 3itt h VAL 415 CO 0.05 0.18 0.10 0.00 -1.23 0.00 0.00 177.57 176.68 3itt h ALA 416 N 1.81 0.78 0.00 5.19 0.00 -1.17 0.12 119.26 125.99 3itt h ALA 416 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3itt h ALA 416 Cb 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3itt h ALA 416 CO 0.02 0.53 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 3itt h ALA 417 N 1.01 0.90 0.01 0.00 0.00 -1.04 -3.27 119.26 116.87 3itt h ALA 417 Ca 0.18 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 3itt h ALA 417 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3itt h ALA 417 CO 0.01 0.52 -1.41 0.93 0.00 0.00 0.00 179.25 179.30 3itt h GLU 418 N 0.00 0.01 -5.05 0.00 5.08 -1.00 -3.46 114.58 110.16 3itt h GLU 418 Ca -0.00 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.69 3itt h GLU 418 Cb 1.03 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.08 3itt h GLU 418 CO 0.05 0.74 -0.62 1.03 -1.00 0.00 0.00 179.01 179.21 3itt s ARG 419 N -2.65 3.72 0.17 2.33 0.52 0.38 -5.08 118.95 118.35 3itt s ARG 419 Ca -0.03 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 3itt s ARG 419 Cb 0.09 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 3itt s ARG 419 CO 0.82 -0.05 1.21 -1.25 0.02 0.00 0.00 175.30 176.05 3itt s PRO 420 N 1.23 4.48 0.31 3.54 0.04 -1.26 -4.64 135.00 138.69 3itt s PRO 420 Ca 0.04 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 3itt s PRO 420 Cb -0.14 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 3itt s PRO 420 CO 0.03 -0.12 1.02 0.00 0.04 0.00 0.00 177.00 177.98 3itt s ALA 421 N 0.07 3.27 0.49 8.56 0.00 -1.26 -4.94 121.76 127.95 3itt s ALA 421 Ca 0.54 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 3itt s ALA 421 Cb -0.33 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 3itt s ALA 421 CO 0.36 -0.04 1.24 0.45 0.00 0.00 0.00 175.76 177.77 3itt n SER 422 N 0.78 2.25 0.00 0.00 2.88 -1.26 -4.93 113.62 113.35 3itt n SER 422 Ca 0.01 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 3itt n SER 422 Cb 0.48 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3itt n SER 422 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3itt n VAL 423 N -0.76 0.00 -1.23 2.46 0.24 -1.26 -5.23 118.33 112.56 3itt n VAL 423 Ca 0.09 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3itt n VAL 423 Cb 0.43 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 3itt n VAL 423 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69