#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxu n SER 3 N 0.00 2.39 0.29 -3.46 2.88 -1.26 -4.86 113.62 109.60 3kxu n SER 3 Ca 0.00 1.07 0.18 0.00 -1.33 0.00 0.00 58.87 58.79 3kxu n SER 3 Cb 0.00 -1.50 0.99 0.00 -0.75 0.00 0.00 64.21 62.95 3kxu n SER 3 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3kxu h GLN 4 N 1.86 0.00 0.00 -1.46 3.07 -2.00 -2.58 115.11 114.00 3kxu h GLN 4 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3kxu h GLN 4 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 3kxu h GLN 4 CO 0.59 0.00 -1.15 0.44 0.09 0.00 0.00 178.83 178.80 3kxu n ILE 5 N -3.47 0.06 -2.06 1.86 -5.35 -1.26 -5.00 119.36 104.15 3kxu n ILE 5 Ca -0.02 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 61.87 3kxu n ILE 5 Cb 0.18 0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 38.55 3kxu n ILE 5 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kxu s ARG 6 N -3.16 4.28 -0.26 6.28 3.52 -0.98 -4.86 118.95 123.78 3kxu s ARG 6 Ca 0.04 2.22 -0.10 0.00 -0.13 0.00 0.00 55.73 57.76 3kxu s ARG 6 Cb 0.15 -3.17 0.10 0.00 -1.56 0.00 0.00 34.95 30.47 3kxu s ARG 6 CO 0.84 -0.46 0.57 -1.14 -0.81 0.00 0.00 175.30 174.30 3kxu s GLN 7 N 0.58 0.52 -1.59 5.12 0.74 -1.26 -4.93 119.66 118.83 3kxu s GLN 7 Ca 0.64 1.23 -0.01 0.00 0.05 0.00 0.00 55.36 57.27 3kxu s GLN 7 Cb -0.40 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.21 3kxu s GLN 7 CO 0.35 -0.20 0.11 -1.71 -0.55 0.00 0.00 175.29 173.29 3kxu n ASN 8 N 5.09 -5.49 -4.11 6.67 5.15 -1.26 -4.96 115.26 116.35 3kxu n ASN 8 Ca -0.14 -0.03 -0.34 0.00 -0.60 0.00 0.00 54.58 53.47 3kxu n ASN 8 Cb 0.52 -4.56 -0.13 0.00 -0.53 0.00 0.00 39.78 35.08 3kxu n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3kxu s TYR 9 N -2.98 3.54 0.30 1.20 5.04 -1.26 -4.82 117.35 118.37 3kxu s TYR 9 Ca 0.06 -2.42 -0.30 0.00 -2.44 0.00 0.00 57.07 51.97 3kxu s TYR 9 Cb -0.03 -2.83 -0.12 0.00 0.35 0.00 0.00 41.96 39.33 3kxu s TYR 9 CO 0.07 -0.92 1.59 0.45 -1.34 0.00 0.00 175.55 175.40 3kxu n SER 10 N 4.51 3.85 0.26 4.32 2.88 -1.26 -4.91 113.62 123.27 3kxu n SER 10 Ca -0.04 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 3kxu n SER 10 Cb 0.42 -1.59 0.78 0.00 -0.75 0.00 0.00 64.21 63.06 3kxu n SER 10 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3kxu h THR 11 N 3.33 0.75 -0.29 2.46 1.35 -1.99 -0.31 112.91 118.21 3kxu h THR 11 Ca -0.47 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.28 3kxu h THR 11 Cb 1.23 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3kxu h THR 11 CO 0.79 0.00 -0.26 0.44 -0.25 0.00 0.00 175.52 176.24 3kxu h ASP 12 N 0.00 0.74 -0.33 5.36 3.32 -1.99 -1.99 116.42 121.53 3kxu h ASP 12 Ca 0.02 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 3kxu h ASP 12 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3kxu h ASP 12 CO -0.00 1.04 0.11 0.58 -1.72 0.00 0.00 179.24 179.25 3kxu h VAL 13 N 0.44 1.20 -0.50 -1.35 2.07 -1.70 -0.83 116.25 115.58 3kxu h VAL 13 Ca 0.05 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.01 3kxu h VAL 13 Cb 0.82 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3kxu h VAL 13 CO 0.07 0.22 0.03 -0.08 0.02 0.00 0.00 177.57 177.83 3kxu h GLU 14 N 0.38 0.14 -0.56 1.57 4.81 -1.06 0.24 114.58 120.11 3kxu h GLU 14 Ca 0.11 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3kxu h GLU 14 Cb 0.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3kxu h GLU 14 CO -0.00 0.09 0.15 0.00 -0.73 0.00 0.00 179.01 178.51 3kxu h ALA 15 N 1.43 0.73 -0.39 2.92 0.00 -1.25 -1.79 119.26 120.92 3kxu h ALA 15 Ca 0.25 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kxu h ALA 15 Cb 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3kxu h ALA 15 CO -0.40 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.20 3kxu h ALA 16 N 1.02 1.13 -0.25 0.00 0.00 -0.36 -0.99 119.26 119.82 3kxu h ALA 16 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kxu h ALA 16 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kxu h ALA 16 CO -0.00 0.55 0.13 0.28 0.00 0.00 0.00 179.25 180.20 3kxu h VAL 17 N 0.61 1.13 -0.70 0.00 2.07 -0.34 0.03 116.25 119.06 3kxu h VAL 17 Ca 0.11 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3kxu h VAL 17 Cb 0.50 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3kxu h VAL 17 CO 0.03 0.13 0.39 0.78 0.02 0.00 0.00 177.57 178.92 3kxu h ASN 18 N 0.28 0.58 -0.76 0.57 2.35 -1.01 0.13 115.58 117.73 3kxu h ASN 18 Ca 0.09 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3kxu h ASN 18 Cb 0.10 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3kxu h ASN 18 CO -0.01 0.37 0.26 0.28 -1.65 0.00 0.00 177.43 176.68 3kxu h SER 19 N 0.72 1.08 -0.44 5.81 0.02 -0.91 -2.41 113.55 117.41 3kxu h SER 19 Ca 0.31 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3kxu h SER 19 Cb 0.20 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3kxu h SER 19 CO -0.19 0.99 -0.09 0.25 -1.14 0.00 0.00 176.83 176.65 3kxu h LEU 20 N 1.11 0.88 -0.44 5.07 5.85 -0.53 -1.33 115.31 125.93 3kxu h LEU 20 Ca 0.25 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3kxu h LEU 20 Cb 0.27 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3kxu h LEU 20 CO -0.01 0.99 0.16 0.58 -0.34 0.00 0.00 178.44 179.82 3kxu h VAL 21 N 0.81 0.87 -0.78 1.05 2.07 -0.79 0.13 116.25 119.62 3kxu h VAL 21 Ca 0.14 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3kxu h VAL 21 Cb 0.60 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3kxu h VAL 21 CO 0.04 0.06 0.46 -1.13 0.02 0.00 0.00 177.57 177.02 3kxu h ASN 22 N 0.33 0.72 -0.60 0.57 -0.73 -0.96 0.77 115.58 115.68 3kxu h ASN 22 Ca 0.20 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.36 3kxu h ASN 22 Cb 0.19 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 3kxu h ASN 22 CO -0.20 0.46 0.26 0.25 -0.37 0.00 0.00 177.43 177.83 3kxu h LEU 23 N 0.85 0.81 -0.58 0.34 5.85 -0.61 0.17 115.31 122.13 3kxu h LEU 23 Ca 0.34 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3kxu h LEU 23 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3kxu h LEU 23 CO -0.17 0.74 0.07 1.88 -0.34 0.00 0.00 178.44 180.62 3kxu h TYR 24 N 0.83 1.05 -0.46 1.25 -1.99 -0.69 -0.01 116.97 116.95 3kxu h TYR 24 Ca 0.20 -0.16 0.05 0.00 2.00 0.00 0.00 58.73 60.82 3kxu h TYR 24 Cb 0.17 -0.28 -0.04 0.00 2.00 0.00 0.00 36.73 38.57 3kxu h TYR 24 CO 0.01 0.92 0.20 -0.07 -0.00 0.00 0.00 178.16 179.22 3kxu h LEU 25 N 0.88 0.27 -0.84 3.88 3.38 -0.61 0.35 115.31 122.62 3kxu h LEU 25 Ca 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3kxu h LEU 25 Cb 0.45 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3kxu h LEU 25 CO 0.02 0.19 0.43 -0.61 0.09 0.00 0.00 178.44 178.56 3kxu h GLN 26 N 0.41 1.19 -0.48 1.13 4.15 -0.81 -1.84 115.11 118.86 3kxu h GLN 26 Ca 0.21 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 3kxu h GLN 26 Cb 0.16 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3kxu h GLN 26 CO -0.17 0.89 -0.19 0.00 -1.93 0.00 0.00 178.83 177.42 3kxu h ALA 27 N 1.23 0.66 -0.48 3.38 0.00 -0.58 -1.30 119.26 122.18 3kxu h ALA 27 Ca 0.29 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kxu h ALA 27 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kxu h ALA 27 CO -0.04 0.63 0.07 0.66 0.00 0.00 0.00 179.25 180.58 3kxu h SER 28 N 0.82 0.70 -0.37 0.00 4.64 -0.75 -1.49 113.55 117.11 3kxu h SER 28 Ca 0.11 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3kxu h SER 28 Cb 0.77 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3kxu h SER 28 CO 0.06 0.72 0.10 0.22 -0.87 0.00 0.00 176.83 177.06 3kxu h TYR 29 N 0.71 0.61 -0.66 4.77 3.20 -1.05 0.20 116.97 124.75 3kxu h TYR 29 Ca 0.15 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3kxu h TYR 29 Cb 0.33 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3kxu h TYR 29 CO 0.02 0.59 0.38 1.15 -1.64 0.00 0.00 178.16 178.66 3kxu h THR 30 N 0.44 1.01 -0.08 1.81 2.02 -0.84 -1.79 112.91 115.48 3kxu h THR 30 Ca 0.12 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3kxu h THR 30 Cb 0.29 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3kxu h THR 30 CO -0.00 0.13 -0.48 1.88 0.37 0.00 0.00 175.52 177.42 3kxu h TYR 31 N 0.72 0.24 -0.34 3.16 0.05 -0.83 -0.18 116.97 119.79 3kxu h TYR 31 Ca 0.28 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 59.00 3kxu h TYR 31 Cb 0.13 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3kxu h TYR 31 CO -0.07 0.64 0.20 1.25 -1.05 0.00 0.00 178.16 179.14 3kxu h LEU 32 N 0.16 0.33 -0.41 3.88 5.85 -0.65 0.15 115.31 124.61 3kxu h LEU 32 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kxu h LEU 32 Cb 0.91 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3kxu h LEU 32 CO 0.07 0.24 0.11 -1.28 -0.34 0.00 0.00 178.44 177.24 3kxu h SER 33 N 0.41 0.62 -0.69 1.25 0.87 -0.94 -2.09 113.55 112.98 3kxu h SER 33 Ca 0.13 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3kxu h SER 33 Cb -0.00 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 3kxu h SER 33 CO -0.06 0.68 0.45 -0.07 -0.53 0.00 0.00 176.83 177.30 3kxu h LEU 34 N 0.52 0.76 -0.11 2.23 3.38 -0.83 -1.00 115.31 120.27 3kxu h LEU 34 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kxu h LEU 34 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kxu h LEU 34 CO 0.00 0.54 0.06 1.23 0.09 0.00 0.00 178.44 180.37 3kxu h GLY 35 N 0.90 0.17 1.89 0.83 0.00 -0.70 -2.58 103.07 103.58 3kxu h GLY 35 Ca 0.26 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3kxu h GLY 35 CO -0.07 0.07 -0.65 0.74 0.00 0.00 0.00 176.54 176.63 3kxu h PHE 36 N 0.09 0.14 -0.53 5.60 0.04 -1.30 -2.97 116.94 118.01 3kxu h PHE 36 Ca 0.04 -0.06 0.09 0.00 2.80 0.00 0.00 57.97 60.84 3kxu h PHE 36 Cb 0.07 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 3kxu h PHE 36 CO -0.05 0.72 0.15 -0.92 -0.60 0.00 0.00 178.31 177.61 3kxu h TYR 37 N 0.08 0.24 0.00 -0.55 3.20 -1.03 -1.80 116.97 117.11 3kxu h TYR 37 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kxu h TYR 37 Cb 1.15 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3kxu h TYR 37 CO 0.01 0.03 0.00 1.19 -1.64 0.00 0.00 178.16 177.76 3kxu n PHE 38 N -5.07 0.22 1.12 -3.82 3.72 -0.98 -2.38 117.46 110.26 3kxu n PHE 38 Ca 0.06 0.08 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 3kxu n PHE 38 Cb 0.25 -0.63 0.28 0.00 -0.94 0.00 0.00 39.48 38.45 3kxu n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kxu n ASP 39 N -1.69 0.84 -4.58 4.37 2.03 -0.70 -1.15 116.55 115.67 3kxu n ASP 39 Ca 0.04 -0.65 -0.40 0.00 0.52 0.00 0.00 54.79 54.30 3kxu n ASP 39 Cb 0.23 0.24 0.02 0.00 -0.72 0.00 0.00 41.12 40.89 3kxu n ASP 39 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kxu n ARG 40 N -1.02 1.09 0.25 -0.67 1.74 -1.00 -4.71 116.66 112.34 3kxu n ARG 40 Ca 0.09 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.70 3kxu n ARG 40 Cb 0.35 -2.00 0.63 0.00 -1.02 0.00 0.00 32.46 30.42 3kxu n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3kxu h ASP 41 N 1.09 0.00 -0.70 0.55 3.04 -1.92 0.25 116.42 118.74 3kxu h ASP 41 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 3kxu h ASP 41 Cb 1.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.65 3kxu h ASP 41 CO 0.54 0.13 0.00 -0.90 -2.04 0.00 0.00 179.24 176.97 3kxu n ASP 42 N -3.37 3.76 0.05 4.15 5.75 -1.26 -4.40 116.55 121.23 3kxu n ASP 42 Ca -0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3kxu n ASP 42 Cb 0.33 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3kxu n ASP 42 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3kxu n VAL 43 N 1.54 1.01 -3.42 2.12 0.31 -0.49 -5.09 118.33 114.31 3kxu n VAL 43 Ca 0.23 0.33 -0.18 0.00 -0.01 0.00 0.00 64.34 64.72 3kxu n VAL 43 Cb 0.60 -1.44 0.07 0.00 -0.91 0.00 0.00 33.84 32.16 3kxu n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kxu n ALA 44 N -3.38 -2.26 -3.90 3.52 0.00 0.78 -4.99 120.51 110.28 3kxu n ALA 44 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3kxu n ALA 44 Cb 0.00 -3.90 -0.14 0.00 0.00 0.00 0.00 19.45 15.42 3kxu n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kxu s LEU 45 N -6.02 3.95 0.30 0.00 1.43 -0.30 -4.99 118.68 113.05 3kxu s LEU 45 Ca 0.23 -2.92 -0.01 0.00 -1.03 0.00 0.00 54.13 50.40 3kxu s LEU 45 Cb -0.04 -1.51 0.46 0.00 0.03 0.00 0.00 46.19 45.13 3kxu s LEU 45 CO 0.76 -0.24 1.92 -0.08 0.23 0.00 0.00 176.35 178.94 3kxu h GLU 46 N 6.56 0.94 -0.72 1.70 4.57 -1.94 -1.03 114.58 124.66 3kxu h GLU 46 Ca -0.06 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 3kxu h GLU 46 Cb 0.90 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 3kxu h GLU 46 CO 0.64 0.70 0.23 0.78 -1.18 0.00 0.00 179.01 180.19 3kxu h GLY 47 N 1.00 1.20 0.82 1.92 0.00 -1.94 0.12 103.07 106.19 3kxu h GLY 47 Ca 0.24 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3kxu h GLY 47 CO -0.04 0.66 -0.12 -2.08 0.00 0.00 0.00 176.54 174.96 3kxu h VAL 48 N 1.06 1.31 -0.37 4.60 2.07 -1.82 -1.38 116.25 121.73 3kxu h VAL 48 Ca 0.23 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.60 3kxu h VAL 48 Cb 0.30 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 3kxu h VAL 48 CO -0.01 0.37 0.02 -1.28 0.02 0.00 0.00 177.57 176.69 3kxu h SER 49 N 0.15 -0.11 -0.61 0.57 0.87 -1.00 -1.73 113.55 111.69 3kxu h SER 49 Ca 0.04 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3kxu h SER 49 Cb 0.63 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 3kxu h SER 49 CO 0.04 -0.02 0.32 -0.74 -0.53 0.00 0.00 176.83 175.89 3kxu h HIS 50 N 0.12 0.85 -0.27 2.24 6.17 -0.67 -0.02 115.15 123.57 3kxu h HIS 50 Ca 0.18 -0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.29 3kxu h HIS 50 Cb 0.24 -0.27 -0.06 0.00 2.52 0.00 0.00 27.41 29.84 3kxu h HIS 50 CO -0.24 0.63 -0.13 0.35 0.71 0.00 0.00 177.93 179.25 3kxu h PHE 51 N 0.83 -0.31 -0.26 5.26 3.57 -0.81 0.01 116.94 125.23 3kxu h PHE 51 Ca 0.21 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.58 3kxu h PHE 51 Cb 0.07 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3kxu h PHE 51 CO -0.01 -0.20 -0.51 0.74 -2.23 0.00 0.00 178.31 176.11 3kxu h PHE 52 N -0.09 0.90 -0.70 0.41 0.04 -1.12 -2.27 116.94 114.12 3kxu h PHE 52 Ca 0.14 -0.31 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3kxu h PHE 52 Cb 0.31 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3kxu h PHE 52 CO -0.32 1.08 0.32 0.00 -0.60 0.00 0.00 178.31 178.79 3kxu h ARG 53 N 0.57 1.00 -0.44 1.51 3.08 -0.69 -0.66 114.38 118.75 3kxu h ARG 53 Ca 0.02 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3kxu h ARG 53 Cb 1.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3kxu h ARG 53 CO 0.11 0.78 -0.13 0.93 -1.07 0.00 0.00 179.97 180.59 3kxu h GLU 54 N 0.99 0.82 -0.77 0.04 4.39 -0.90 -2.59 114.58 116.56 3kxu h GLU 54 Ca 0.24 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3kxu h GLU 54 Cb 0.13 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3kxu h GLU 54 CO -0.03 0.91 0.29 -0.07 -1.16 0.00 0.00 179.01 178.95 3kxu h LEU 55 N 0.73 1.07 -0.73 1.33 3.38 -0.79 -1.10 115.31 119.21 3kxu h LEU 55 Ca 0.12 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3kxu h LEU 55 Cb 0.63 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3kxu h LEU 55 CO 0.04 0.96 0.34 0.00 0.09 0.00 0.00 178.44 179.87 3kxu h ALA 56 N 1.19 1.02 -0.56 1.53 0.00 -0.84 -0.08 119.26 121.51 3kxu h ALA 56 Ca 0.25 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3kxu h ALA 56 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kxu h ALA 56 CO -0.02 -0.11 0.15 1.49 0.00 0.00 0.00 179.25 180.76 3kxu h GLU 57 N 0.54 0.89 -0.43 0.00 4.81 -1.06 -1.56 114.58 117.77 3kxu h GLU 57 Ca 0.38 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3kxu h GLU 57 Cb 0.47 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3kxu h GLU 57 CO -0.32 0.82 -0.01 0.93 -0.73 0.00 0.00 179.01 179.70 3kxu h GLU 58 N 0.79 0.70 -0.06 1.92 4.39 -0.59 -0.42 114.58 121.31 3kxu h GLU 58 Ca 0.18 -0.18 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3kxu h GLU 58 Cb 0.32 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3kxu h GLU 58 CO -0.00 0.72 -0.59 0.87 -1.16 0.00 0.00 179.01 178.85 3kxu h LYS 59 N 0.66 0.19 -0.55 2.33 1.79 -0.77 -1.52 116.57 118.71 3kxu h LYS 59 Ca 0.13 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3kxu h LYS 59 Cb 0.42 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 3kxu h LYS 59 CO 0.02 0.73 0.15 -0.09 -1.08 0.00 0.00 179.45 179.17 3kxu h ARG 60 N 0.14 0.87 -1.00 3.15 2.43 -0.82 -1.53 114.38 117.62 3kxu h ARG 60 Ca -0.00 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3kxu h ARG 60 Cb 1.08 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.44 3kxu h ARG 60 CO 0.09 0.80 0.64 0.93 -1.51 0.00 0.00 179.97 180.93 3kxu h GLU 61 N 0.77 1.11 0.36 0.20 5.08 -0.80 -0.50 114.58 120.82 3kxu h GLU 61 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kxu h GLU 61 Cb 0.31 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kxu h GLU 61 CO -0.00 0.74 -0.23 0.78 -1.00 0.00 0.00 179.01 179.29 3kxu h GLY 62 N 1.15 -0.60 1.97 -3.84 0.00 -0.77 -0.82 103.07 100.15 3kxu h GLY 62 Ca 0.44 0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.91 3kxu h GLY 62 CO -0.18 -0.23 -0.52 0.10 0.00 0.00 0.00 176.54 175.71 3kxu h TYR 63 N -0.58 0.04 -0.72 5.60 -0.00 -1.01 -1.34 116.97 118.97 3kxu h TYR 63 Ca -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.63 3kxu h TYR 63 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 36.73 37.17 3kxu h TYR 63 CO -0.10 0.55 0.24 0.93 -0.00 0.00 0.00 178.16 179.78 3kxu h GLU 64 N 0.03 1.10 -0.50 0.10 5.08 -0.99 -1.16 114.58 118.24 3kxu h GLU 64 Ca -0.00 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 3kxu h GLU 64 Cb 0.93 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3kxu h GLU 64 CO 0.07 0.92 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.88 3kxu h ARG 65 N 1.06 0.91 -0.52 2.33 2.43 -0.77 -1.02 114.38 118.80 3kxu h ARG 65 Ca 0.24 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kxu h ARG 65 Cb 0.27 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3kxu h ARG 65 CO -0.01 0.95 0.33 -0.07 -1.51 0.00 0.00 179.97 179.66 3kxu h LEU 66 N 0.77 0.56 -0.60 3.80 3.38 -1.03 -1.20 115.31 120.98 3kxu h LEU 66 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kxu h LEU 66 Cb 0.56 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kxu h LEU 66 CO 0.03 0.40 0.10 -0.07 0.09 0.00 0.00 178.44 178.99 3kxu h LEU 67 N 0.67 0.95 -0.34 1.67 3.38 -1.07 0.27 115.31 120.85 3kxu h LEU 67 Ca 0.20 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kxu h LEU 67 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3kxu h LEU 67 CO -0.06 0.97 0.18 0.50 0.09 0.00 0.00 178.44 180.12 3kxu h LYS 68 N 0.90 0.37 -0.73 1.13 3.64 -0.99 -2.16 116.57 118.72 3kxu h LYS 68 Ca 0.18 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3kxu h LYS 68 Cb 0.42 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3kxu h LYS 68 CO 0.01 0.24 0.37 1.98 -2.27 0.00 0.00 179.45 179.78 3kxu h MET 69 N 0.38 1.04 -0.40 1.90 4.05 -0.99 0.21 114.93 121.12 3kxu h MET 69 Ca 0.14 -0.14 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 3kxu h MET 69 Cb 0.03 -0.19 -0.07 0.00 -0.80 0.00 0.00 31.60 30.57 3kxu h MET 69 CO -0.08 0.80 -0.02 0.37 0.23 0.00 0.00 176.91 178.21 3kxu h GLN 70 N 1.02 0.08 -0.49 0.39 5.75 -0.71 -0.65 115.11 120.50 3kxu h GLN 70 Ca 0.25 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.63 3kxu h GLN 70 Cb 0.09 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3kxu h GLN 70 CO -0.04 0.05 -0.15 -0.91 -2.65 0.00 0.00 178.83 175.14 3kxu h ASN 71 N 0.08 0.95 -0.72 -0.69 2.35 -1.11 0.17 115.58 116.62 3kxu h ASN 71 Ca 0.19 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3kxu h ASN 71 Cb 0.28 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 3kxu h ASN 71 CO -0.34 1.09 0.48 1.56 -1.65 0.00 0.00 177.43 178.57 3kxu h GLN 72 N 0.84 0.72 -0.00 0.81 1.08 -0.10 -2.35 115.11 116.11 3kxu h GLN 72 Ca 0.12 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3kxu h GLN 72 Cb 0.70 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3kxu h GLN 72 CO 0.05 0.48 -0.24 0.54 -0.95 0.00 0.00 178.83 178.71 3kxu n ARG 73 N -4.48 0.33 -0.72 1.46 5.12 -0.33 -4.94 116.66 113.09 3kxu n ARG 73 Ca 0.11 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3kxu n ARG 73 Cb 0.24 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 3kxu n ARG 73 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kxu n GLY 74 N 1.41 0.64 3.79 -0.13 0.00 -0.88 -4.22 105.19 105.79 3kxu n GLY 74 Ca 0.10 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3kxu n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kxu s GLY 75 N -2.01 1.65 -0.12 -0.02 0.00 0.01 -4.58 107.32 102.26 3kxu s GLY 75 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 3kxu s GLY 75 CO 0.00 -0.16 -0.04 0.50 0.00 0.00 0.00 173.10 173.40 3kxu s ARG 76 N -5.53 1.18 0.23 2.90 1.81 -1.26 -4.25 118.95 114.02 3kxu s ARG 76 Ca 0.69 -0.22 -0.31 0.00 -1.72 0.00 0.00 55.73 54.17 3kxu s ARG 76 Cb -0.10 -1.54 -0.11 0.00 -0.45 0.00 0.00 34.95 32.75 3kxu s ARG 76 CO 0.54 -0.34 1.66 0.00 -0.68 0.00 0.00 175.30 176.48 3kxu s ALA 77 N 1.78 3.86 -0.08 2.13 0.00 -1.26 -4.97 121.76 123.22 3kxu s ALA 77 Ca 0.04 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 3kxu s ALA 77 Cb -0.13 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.34 3kxu s ALA 77 CO -0.07 -0.92 -0.03 -0.51 0.00 0.00 0.00 175.76 174.23 3kxu s LEU 78 N 0.67 0.94 -0.07 0.00 1.43 -1.26 -5.14 118.68 115.24 3kxu s LEU 78 Ca 0.71 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 3kxu s LEU 78 Cb -0.48 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 3kxu s LEU 78 CO 0.37 -0.14 0.10 -0.36 0.23 0.00 0.00 176.35 176.55 3kxu s PHE 79 N 1.64 3.42 0.38 0.29 0.08 -1.26 -4.87 117.98 117.66 3kxu s PHE 79 Ca 0.01 0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.48 3kxu s PHE 79 Cb -0.13 -1.84 -0.07 0.00 -0.57 0.00 0.00 43.02 40.40 3kxu s PHE 79 CO -0.05 0.62 -0.00 -0.65 -0.10 0.00 0.00 175.22 175.04 3kxu s GLN 80 N -1.26 1.86 0.38 0.44 -1.52 -1.26 -5.11 119.66 113.19 3kxu s GLN 80 Ca 0.18 -2.03 -0.26 0.00 -1.95 0.00 0.00 55.36 51.30 3kxu s GLN 80 Cb -0.12 -1.49 -0.11 0.00 -0.22 0.00 0.00 33.01 31.07 3kxu s GLN 80 CO 0.08 -0.04 1.09 -0.25 -0.25 0.00 0.00 175.29 175.92 3kxu n ASP 81 N -0.87 1.70 -4.55 5.90 8.00 -1.26 -4.97 116.55 120.50 3kxu n ASP 81 Ca -0.05 1.10 -0.40 0.00 0.71 0.00 0.00 54.79 56.15 3kxu n ASP 81 Cb 0.66 -1.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.28 3kxu n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kxu s ILE 82 N -1.19 5.19 0.37 0.53 1.01 -1.26 -5.06 121.20 120.79 3kxu s ILE 82 Ca 0.61 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 3kxu s ILE 82 Cb -0.58 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.00 3kxu s ILE 82 CO 0.59 -0.05 1.40 -0.75 0.00 0.00 0.00 174.94 176.12 3kxu s LYS 83 N 1.96 4.15 0.82 2.79 2.36 -1.26 -4.99 119.74 125.57 3kxu s LYS 83 Ca 0.11 2.39 -0.11 0.00 -2.55 0.00 0.00 55.97 55.80 3kxu s LYS 83 Cb -0.17 -2.96 0.09 0.00 -1.05 0.00 0.00 37.83 33.75 3kxu s LYS 83 CO 0.11 -0.43 1.13 -1.59 1.55 0.00 0.00 175.35 176.13 3kxu s LYS 84 N -2.03 1.70 0.83 4.03 -2.85 -1.26 -4.84 119.74 115.31 3kxu s LYS 84 Ca 0.52 1.44 -0.11 0.00 -1.00 0.00 0.00 55.97 56.83 3kxu s LYS 84 Cb -0.43 -1.81 0.09 0.00 -2.06 0.00 0.00 37.83 33.62 3kxu s LYS 84 CO 0.57 -2.10 1.13 -2.14 0.10 0.00 0.00 175.35 172.91 3kxu s PRO 85 N -4.60 1.69 0.43 1.78 0.02 -1.26 -4.92 135.00 128.15 3kxu s PRO 85 Ca 0.66 1.43 0.23 0.00 0.02 0.00 0.00 61.00 63.34 3kxu s PRO 85 Cb -0.22 -1.81 0.79 0.00 0.02 0.00 0.00 34.50 33.29 3kxu s PRO 85 CO 0.54 -2.11 1.77 0.00 -0.33 0.00 0.00 177.00 176.88 3kxu h ALA 86 N -1.31 0.97 -3.28 -1.55 0.00 -1.98 -3.43 119.26 108.68 3kxu h ALA 86 Ca -0.44 -0.21 -0.44 0.00 0.00 0.00 0.00 54.91 53.82 3kxu h ALA 86 Cb 1.26 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 3kxu h ALA 86 CO 0.47 0.28 -0.78 -1.21 0.00 0.00 0.00 179.25 178.01 3kxu s GLU 87 N -3.52 0.96 -0.05 0.00 2.02 -1.26 -5.03 118.70 111.81 3kxu s GLU 87 Ca 0.02 -1.10 0.17 0.00 0.02 0.00 0.00 54.97 54.07 3kxu s GLU 87 Cb 0.09 -0.97 -0.21 0.00 0.10 0.00 0.00 34.13 33.14 3kxu s GLU 87 CO 0.65 0.21 0.52 -0.25 0.02 0.00 0.00 175.26 176.41 3kxu n ASP 88 N 0.97 0.52 -4.02 -0.19 8.00 -1.26 -4.91 116.55 115.65 3kxu n ASP 88 Ca -0.19 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.32 3kxu n ASP 88 Cb 0.55 0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 42.04 3kxu n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kxu s GLU 89 N -2.77 1.28 0.00 -1.24 2.02 -1.26 -4.98 118.70 111.74 3kxu s GLU 89 Ca -0.06 -0.37 0.13 0.00 0.02 0.00 0.00 54.97 54.70 3kxu s GLU 89 Cb 0.08 -1.14 0.37 0.00 0.10 0.00 0.00 34.13 33.55 3kxu s GLU 89 CO 0.83 0.09 1.30 0.91 0.02 0.00 0.00 175.26 178.42 3kxu n TRP 90 N 3.47 0.56 -4.30 1.61 7.02 -1.26 -5.09 117.44 119.45 3kxu n TRP 90 Ca -0.20 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 55.80 3kxu n TRP 90 Cb 0.53 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 3kxu n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kxu n GLY 91 N 0.77 0.74 3.96 6.99 0.00 -1.26 -3.23 105.19 113.16 3kxu n GLY 91 Ca 0.14 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3kxu n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxu s LYS 92 N 0.00 2.53 0.23 1.61 1.02 -1.26 -4.87 119.74 119.00 3kxu s LYS 92 Ca 0.00 -0.62 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 3kxu s LYS 92 Cb 0.00 -2.42 0.39 0.00 -0.52 0.00 0.00 37.83 35.28 3kxu s LYS 92 CO 0.00 -0.78 1.66 1.15 -0.92 0.00 0.00 175.35 176.46 3kxu h THR 93 N -0.05 0.46 -0.76 2.17 2.02 -1.99 -1.32 112.91 113.43 3kxu h THR 93 Ca -0.43 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3kxu h THR 93 Cb 1.30 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3kxu h THR 93 CO 0.55 0.03 0.33 -0.65 0.37 0.00 0.00 175.52 176.14 3kxu h PRO 94 N 0.16 1.10 -0.35 6.66 0.11 -1.94 0.14 132.00 137.89 3kxu h PRO 94 Ca 0.38 -0.18 0.02 0.00 0.11 0.00 0.00 66.00 66.33 3kxu h PRO 94 Cb 0.64 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3kxu h PRO 94 CO -0.56 0.87 0.20 -0.44 -0.21 0.00 0.00 178.00 177.86 3kxu h ASP 95 N 1.09 0.31 -0.39 -2.05 3.32 -1.56 -0.11 116.42 117.03 3kxu h ASP 95 Ca 0.26 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kxu h ASP 95 Cb 0.16 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kxu h ASP 95 CO -0.03 0.23 0.24 0.00 -1.72 0.00 0.00 179.24 177.96 3kxu h ALA 96 N 1.16 0.50 -0.30 3.45 0.00 -0.94 -1.01 119.26 122.12 3kxu h ALA 96 Ca 0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kxu h ALA 96 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kxu h ALA 96 CO -0.08 -0.01 -0.17 1.98 0.00 0.00 0.00 179.25 180.98 3kxu h MET 97 N 0.51 0.54 -0.61 0.00 1.85 -0.52 0.24 114.93 116.93 3kxu h MET 97 Ca 0.14 -0.18 -0.10 0.00 -0.61 0.00 0.00 59.70 58.96 3kxu h MET 97 Cb -0.00 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 3kxu h MET 97 CO -0.03 0.69 -0.00 0.87 -0.40 0.00 0.00 176.91 178.04 3kxu h LYS 98 N 0.49 1.08 -0.49 0.39 1.57 -0.72 -0.52 116.57 118.37 3kxu h LYS 98 Ca 0.08 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3kxu h LYS 98 Cb 0.58 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3kxu h LYS 98 CO 0.04 1.05 0.24 0.00 -0.57 0.00 0.00 179.45 180.21 3kxu h ALA 99 N 0.99 0.63 -0.58 3.86 0.00 -0.74 -1.81 119.26 121.60 3kxu h ALA 99 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kxu h ALA 99 Cb 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kxu h ALA 99 CO 0.03 0.18 0.35 0.00 0.00 0.00 0.00 179.25 179.82 3kxu h ALA 100 N 1.08 0.74 -0.06 0.00 0.00 -0.66 -1.39 119.26 118.97 3kxu h ALA 100 Ca 0.17 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3kxu h ALA 100 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kxu h ALA 100 CO -0.02 0.21 -0.56 1.98 0.00 0.00 0.00 179.25 180.86 3kxu h MET 101 N 0.78 0.19 -0.75 0.00 -1.53 -0.93 -0.47 114.93 112.22 3kxu h MET 101 Ca 0.21 -0.12 -0.02 0.00 -3.44 0.00 0.00 59.70 56.33 3kxu h MET 101 Cb -0.03 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.00 3kxu h MET 101 CO -0.04 0.70 0.41 0.00 0.14 0.00 0.00 176.91 178.12 3kxu h ALA 102 N 1.27 0.96 -0.43 0.39 0.00 -1.13 0.27 119.26 120.59 3kxu h ALA 102 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kxu h ALA 102 Cb 1.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3kxu h ALA 102 CO 0.08 0.48 0.27 1.25 0.00 0.00 0.00 179.25 181.33 3kxu h LEU 103 N 1.04 0.51 -0.78 0.00 5.85 -0.85 -1.27 115.31 119.81 3kxu h LEU 103 Ca 0.26 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3kxu h LEU 103 Cb 0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3kxu h LEU 103 CO -0.04 0.40 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.02 3kxu h GLU 104 N 0.58 0.81 -0.65 1.25 4.39 -0.77 -1.00 114.58 119.19 3kxu h GLU 104 Ca 0.16 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3kxu h GLU 104 Cb -0.03 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3kxu h GLU 104 CO -0.03 0.88 0.23 0.87 -1.16 0.00 0.00 179.01 179.80 3kxu h LYS 105 N 0.73 0.98 -0.27 2.33 1.57 -0.76 0.10 116.57 121.25 3kxu h LYS 105 Ca 0.12 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3kxu h LYS 105 Cb 0.60 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3kxu h LYS 105 CO 0.04 0.82 0.13 -0.22 -0.57 0.00 0.00 179.45 179.65 3kxu h LYS 106 N 0.95 0.40 -0.61 3.15 3.64 -0.80 -0.59 116.57 122.72 3kxu h LYS 106 Ca 0.22 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3kxu h LYS 106 Cb 0.24 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3kxu h LYS 106 CO -0.01 0.40 0.26 -0.07 -2.27 0.00 0.00 179.45 177.75 3kxu h LEU 107 N 0.30 0.83 -0.61 5.20 3.38 -0.89 -1.19 115.31 122.32 3kxu h LEU 107 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3kxu h LEU 107 Cb 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3kxu h LEU 107 CO -0.01 0.76 0.24 -1.13 0.09 0.00 0.00 178.44 178.38 3kxu h ASN 108 N 0.84 0.85 -0.81 -0.43 -1.24 -0.68 0.59 115.58 114.71 3kxu h ASN 108 Ca 0.20 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 3kxu h ASN 108 Cb 0.18 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 3kxu h ASN 108 CO -0.02 0.80 0.41 -0.61 -1.29 0.00 0.00 177.43 176.72 3kxu h GLN 109 N 0.85 1.15 -0.72 6.67 5.75 -0.80 0.02 115.11 128.04 3kxu h GLN 109 Ca 0.20 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3kxu h GLN 109 Cb 0.22 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3kxu h GLN 109 CO -0.02 0.87 0.38 0.00 -2.65 0.00 0.00 178.83 177.42 3kxu h ALA 110 N 1.22 0.93 -0.26 3.38 0.00 -0.68 0.17 119.26 124.01 3kxu h ALA 110 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kxu h ALA 110 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kxu h ALA 110 CO -0.04 0.45 0.17 -0.07 0.00 0.00 0.00 179.25 179.77 3kxu h LEU 111 N 1.00 0.30 -0.80 0.00 3.38 -0.52 -0.31 115.31 118.37 3kxu h LEU 111 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3kxu h LEU 111 Cb 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3kxu h LEU 111 CO -0.04 0.22 0.46 -0.07 0.09 0.00 0.00 178.44 179.11 3kxu h LEU 112 N 0.35 0.98 -0.59 1.67 3.38 -0.73 0.19 115.31 120.56 3kxu h LEU 112 Ca 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kxu h LEU 112 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3kxu h LEU 112 CO -0.02 0.77 0.15 0.44 0.09 0.00 0.00 178.44 179.88 3kxu h ASP 113 N 1.10 0.89 -0.58 -0.43 3.32 -0.46 -0.34 116.42 119.91 3kxu h ASP 113 Ca 0.28 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3kxu h ASP 113 Cb -0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3kxu h ASP 113 CO -0.05 0.88 0.10 0.25 -1.72 0.00 0.00 179.24 178.71 3kxu h LEU 114 N 0.85 0.91 -0.45 1.55 5.85 -0.66 -0.80 115.31 122.57 3kxu h LEU 114 Ca 0.19 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kxu h LEU 114 Cb 0.33 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3kxu h LEU 114 CO -0.00 0.93 0.28 -0.74 -0.34 0.00 0.00 178.44 178.56 3kxu h HIS 115 N 0.85 0.52 -0.88 1.25 2.76 -0.33 -1.05 115.15 118.25 3kxu h HIS 115 Ca 0.18 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3kxu h HIS 115 Cb 0.40 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 3kxu h HIS 115 CO 0.03 0.31 0.58 0.00 -1.30 0.00 0.00 177.93 177.55 3kxu h ALA 116 N 1.19 1.13 -0.25 5.26 0.00 -0.68 -0.10 119.26 125.80 3kxu h ALA 116 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kxu h ALA 116 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kxu h ALA 116 CO -0.07 0.50 0.16 1.25 0.00 0.00 0.00 179.25 181.09 3kxu h LEU 117 N 1.18 0.30 -0.81 0.00 5.85 -0.87 -0.32 115.31 120.65 3kxu h LEU 117 Ca 0.33 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 3kxu h LEU 117 Cb -0.11 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3kxu h LEU 117 CO -0.08 0.25 0.33 1.23 -0.34 0.00 0.00 178.44 179.83 3kxu h GLY 118 N 0.33 1.29 0.89 3.75 0.00 -0.81 -0.95 103.07 107.55 3kxu h GLY 118 Ca 0.09 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.75 3kxu h GLY 118 CO -0.02 0.65 0.33 0.23 0.00 0.00 0.00 176.54 177.73 3kxu h SER 119 N 1.17 0.53 -0.41 0.19 0.87 -0.79 0.83 113.55 115.94 3kxu h SER 119 Ca 0.27 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3kxu h SER 119 Cb 0.20 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3kxu h SER 119 CO -0.02 0.38 0.17 0.00 -0.53 0.00 0.00 176.83 176.82 3kxu h ALA 120 N 1.23 1.43 -0.43 6.23 0.00 -0.60 -1.46 119.26 125.66 3kxu h ALA 120 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kxu h ALA 120 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kxu h ALA 120 CO -0.09 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.13 3kxu n ARG 121 N -4.35 2.07 -3.79 0.00 5.12 -0.40 -4.96 116.66 110.36 3kxu n ARG 121 Ca 0.03 -1.58 -0.34 0.00 -1.93 0.00 0.00 57.85 54.04 3kxu n ARG 121 Cb 0.16 -1.37 0.03 0.00 -1.16 0.00 0.00 32.46 30.12 3kxu n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3kxu n THR 122 N 0.75 -4.82 -3.88 0.55 -2.24 0.10 -4.95 114.28 99.81 3kxu n THR 122 Ca 0.15 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 3kxu n THR 122 Cb 0.39 -3.68 -0.12 0.00 -2.10 0.00 0.00 70.33 64.82 3kxu n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kxu s ASP 123 N -3.40 4.75 0.46 3.42 -1.08 -0.15 -4.94 116.67 115.73 3kxu s ASP 123 Ca 0.40 -3.37 0.26 0.00 -0.52 0.00 0.00 52.55 49.31 3kxu s ASP 123 Cb -0.17 -1.69 1.00 0.00 -1.46 0.00 0.00 42.92 40.61 3kxu s ASP 123 CO 0.90 -0.19 1.86 1.55 0.52 0.00 0.00 175.17 179.81 3kxu h PRO 124 N 6.10 0.00 -0.29 4.34 0.13 -1.93 -2.46 132.00 137.89 3kxu h PRO 124 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 3kxu h PRO 124 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3kxu h PRO 124 CO 0.72 0.18 0.12 1.25 -0.23 0.00 0.00 178.00 180.03 3kxu h HIS 125 N 0.00 0.44 -0.67 1.56 2.76 -1.96 -1.70 115.15 115.58 3kxu h HIS 125 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3kxu h HIS 125 Cb 0.70 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 3kxu h HIS 125 CO 0.00 0.44 0.43 1.25 -1.30 0.00 0.00 177.93 178.75 3kxu h LEU 126 N 0.32 0.78 0.07 0.26 5.85 -1.93 -0.43 115.31 120.23 3kxu h LEU 126 Ca 0.10 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3kxu h LEU 126 Cb 0.18 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3kxu h LEU 126 CO -0.01 0.58 -0.25 0.00 -0.34 0.00 0.00 178.44 178.43 3kxu h ASP 128 N -0.43 0.85 -0.05 0.00 3.58 -1.03 -0.22 116.42 119.13 3kxu h ASP 128 Ca 0.04 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.51 3kxu h ASP 128 Cb 0.48 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3kxu h ASP 128 CO -0.18 0.57 -0.03 0.15 -2.88 0.00 0.00 179.24 176.87 3kxu h PHE 129 N 1.00 -0.08 -0.46 0.28 3.57 -0.80 0.04 116.94 120.49 3kxu h PHE 129 Ca 0.35 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 3kxu h PHE 129 Cb 0.09 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3kxu h PHE 129 CO -0.03 -0.05 0.18 -0.07 -2.23 0.00 0.00 178.31 176.11 3kxu h LEU 130 N -0.04 0.64 -0.74 0.59 3.38 -0.98 -1.59 115.31 116.57 3kxu h LEU 130 Ca 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3kxu h LEU 130 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kxu h LEU 130 CO -0.07 0.63 0.33 -0.33 0.09 0.00 0.00 178.44 179.09 3kxu h GLU 131 N 0.60 1.08 -0.23 1.13 5.08 -0.90 -0.34 114.58 121.00 3kxu h GLU 131 Ca 0.15 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3kxu h GLU 131 Cb 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kxu h GLU 131 CO -0.01 0.86 -0.38 1.15 -1.00 0.00 0.00 179.01 179.63 3kxu h THR 132 N 1.05 1.31 0.00 1.13 2.02 -0.89 -3.39 112.91 114.15 3kxu h THR 132 Ca 0.25 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.84 3kxu h THR 132 Cb 0.16 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3kxu h THR 132 CO -0.03 0.50 -1.10 1.41 0.37 0.00 0.00 175.52 176.68 3kxu n HIS 133 N -4.23 0.00 0.04 3.16 8.25 -0.61 -4.92 115.22 116.91 3kxu n HIS 133 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3kxu n HIS 133 Cb 0.53 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3kxu n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kxu n PHE 134 N -1.63 -0.26 0.13 4.41 3.01 -0.23 -4.75 117.46 118.14 3kxu n PHE 134 Ca -0.00 0.05 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 3kxu n PHE 134 Cb 0.23 0.10 -0.06 0.00 -0.01 0.00 0.00 39.48 39.75 3kxu n PHE 134 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3kxu h LEU 135 N 0.00 -0.79 -0.75 4.37 3.38 -1.49 -0.97 115.31 119.07 3kxu h LEU 135 Ca 0.00 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3kxu h LEU 135 Cb 0.40 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kxu h LEU 135 CO 0.00 -0.38 -0.42 -0.78 0.09 0.00 0.00 178.44 176.96 3kxu h ASP 136 N -0.51 0.48 -0.66 -0.43 3.58 -1.85 -2.01 116.42 115.02 3kxu h ASP 136 Ca 0.02 -0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.34 3kxu h ASP 136 Cb 0.53 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.37 3kxu h ASP 136 CO -0.14 0.84 0.32 -0.33 -2.88 0.00 0.00 179.24 177.05 3kxu h GLU 137 N 0.37 0.54 -0.18 0.28 4.39 -1.78 -1.16 114.58 117.04 3kxu h GLU 137 Ca 0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kxu h GLU 137 Cb 0.89 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3kxu h GLU 137 CO 0.08 0.36 0.06 0.93 -1.16 0.00 0.00 179.01 179.27 3kxu h GLU 138 N 0.56 0.28 -0.61 2.33 4.39 -0.96 -1.77 114.58 118.81 3kxu h GLU 138 Ca 0.32 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.00 3kxu h GLU 138 Cb 0.32 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3kxu h GLU 138 CO -0.25 0.39 0.35 0.28 -1.16 0.00 0.00 179.01 178.62 3kxu h VAL 139 N 0.11 1.02 -0.52 3.13 2.07 -1.04 0.01 116.25 121.04 3kxu h VAL 139 Ca 0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3kxu h VAL 139 Cb 0.23 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3kxu h VAL 139 CO -0.00 0.12 0.21 0.11 0.02 0.00 0.00 177.57 178.03 3kxu h LYS 140 N 0.68 0.77 -0.27 1.57 1.57 -1.14 -0.79 116.57 118.96 3kxu h LYS 140 Ca 0.26 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3kxu h LYS 140 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kxu h LYS 140 CO -0.13 0.68 0.03 1.25 -0.57 0.00 0.00 179.45 180.71 3kxu h LEU 141 N 0.70 0.44 -0.99 2.94 5.85 -0.95 -1.08 115.31 122.22 3kxu h LEU 141 Ca 0.17 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3kxu h LEU 141 Cb 0.19 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3kxu h LEU 141 CO -0.01 0.61 0.60 0.40 -0.34 0.00 0.00 178.44 179.69 3kxu h ILE 142 N 0.26 1.26 -0.53 4.05 2.04 -0.86 -0.55 117.51 123.17 3kxu h ILE 142 Ca 0.08 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3kxu h ILE 142 Cb 0.36 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3kxu h ILE 142 CO 0.01 0.26 0.33 0.50 0.00 0.00 0.00 178.15 179.25 3kxu h LYS 143 N 1.31 0.71 -0.69 2.37 1.63 -0.94 -0.72 116.57 120.25 3kxu h LYS 143 Ca 0.35 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.11 3kxu h LYS 143 Cb -0.09 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.35 3kxu h LYS 143 CO -0.07 0.50 0.45 -0.22 -3.45 0.00 0.00 179.45 176.66 3kxu h LYS 144 N 0.72 0.87 -0.59 1.90 3.64 -0.58 -0.98 116.57 121.55 3kxu h LYS 144 Ca 0.19 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3kxu h LYS 144 Cb -0.04 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3kxu h LYS 144 CO -0.04 0.58 0.04 0.52 -2.27 0.00 0.00 179.45 178.27 3kxu h MET 145 N 0.90 1.01 -0.02 1.90 2.86 -0.80 -1.12 114.93 119.65 3kxu h MET 145 Ca 0.26 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kxu h MET 145 Cb -0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3kxu h MET 145 CO -0.08 0.98 -0.07 0.78 1.06 0.00 0.00 176.91 179.58 3kxu h GLY 146 N 0.90 -0.06 0.48 8.32 0.00 -0.85 0.12 103.07 111.99 3kxu h GLY 146 Ca 0.17 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.67 3kxu h GLY 146 CO 0.02 -0.08 0.26 -0.55 0.00 0.00 0.00 176.54 176.19 3kxu h ASP 147 N -0.11 0.30 -0.27 0.19 5.19 -1.04 -1.21 116.42 119.47 3kxu h ASP 147 Ca 0.04 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3kxu h ASP 147 Cb 0.16 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.67 3kxu h ASP 147 CO -0.09 0.19 0.11 0.45 -3.12 0.00 0.00 179.24 176.78 3kxu h HIS 148 N 0.47 0.21 -0.98 4.55 3.86 -0.77 -1.46 115.15 121.03 3kxu h HIS 148 Ca 0.30 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.54 3kxu h HIS 148 Cb 0.32 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 3kxu h HIS 148 CO -0.14 0.11 0.65 -0.07 0.86 0.00 0.00 177.93 179.33 3kxu h LEU 149 N 0.25 1.11 -0.46 2.43 3.38 -0.49 0.24 115.31 121.77 3kxu h LEU 149 Ca 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kxu h LEU 149 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kxu h LEU 149 CO -0.10 0.80 0.22 0.74 0.09 0.00 0.00 178.44 180.19 3kxu h THR 150 N 1.31 1.18 -0.28 0.22 2.02 -0.89 -1.41 112.91 115.06 3kxu h THR 150 Ca 0.36 -0.51 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 3kxu h THR 150 Cb -0.12 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3kxu h THR 150 CO -0.09 0.20 -0.48 0.78 0.37 0.00 0.00 175.52 176.31 3kxu h ASN 151 N 0.59 0.83 -0.81 4.18 4.21 -0.56 -2.75 115.58 121.28 3kxu h ASN 151 Ca 0.16 -0.41 -0.01 0.00 1.21 0.00 0.00 56.30 57.24 3kxu h ASN 151 Cb 0.11 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.04 3kxu h ASN 151 CO -0.02 1.17 0.46 -0.07 -1.29 0.00 0.00 177.43 177.68 3kxu h LEU 152 N 0.60 1.00 -1.64 1.61 3.38 -0.44 -2.47 115.31 117.34 3kxu h LEU 152 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kxu h LEU 152 Cb 1.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3kxu h LEU 152 CO 0.10 0.80 0.02 -0.74 0.09 0.00 0.00 178.44 178.71 3kxu h HIS 153 N 1.12 0.24 -0.13 1.13 2.76 -1.12 -2.69 115.15 116.45 3kxu h HIS 153 Ca 0.29 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 3kxu h HIS 153 Cb 0.01 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3kxu h HIS 153 CO 0.00 0.24 -0.50 0.00 -1.30 0.00 0.00 177.93 176.37 3kxu h ARG 154 N 0.24 0.36 -6.40 5.26 3.08 -1.15 -3.44 114.38 112.33 3kxu h ARG 154 Ca 0.06 -0.21 -0.61 0.00 0.07 0.00 0.00 59.98 59.29 3kxu h ARG 154 Cb 0.14 0.02 0.05 0.00 0.08 0.00 0.00 29.97 30.25 3kxu h ARG 154 CO 0.00 0.78 0.79 1.28 -1.07 0.00 0.00 179.97 181.75 3kxu n LEU 155 N -3.96 2.84 -1.52 3.04 4.32 -1.01 -3.54 117.00 117.16 3kxu n LEU 155 Ca -0.02 1.07 -0.00 0.00 -0.02 0.00 0.00 56.01 57.04 3kxu n LEU 155 Cb 0.56 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 3kxu n LEU 155 CO 0.44 -0.40 -0.00 0.61 -1.22 0.00 0.00 177.39 176.82 3kxu n GLY 156 N 3.46 -1.58 0.00 -0.72 0.00 -1.26 -5.03 105.19 100.06 3kxu n GLY 156 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kxu n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93