#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg s ASN 2 N 0.00 0.41 0.00 3.17 0.01 -1.26 -5.00 114.94 112.27 2kmg s ASN 2 Ca 0.00 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 2kmg s ASN 2 Cb 0.00 0.38 0.00 0.00 0.41 0.00 0.00 41.25 42.04 2kmg s ASN 2 CO 0.00 -0.22 0.61 0.41 -1.51 0.00 0.00 177.10 176.39 2kmg n THR 3 N 5.05 0.00 1.62 1.60 -1.04 -1.26 -4.81 114.28 115.44 2kmg n THR 3 Ca -0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 2kmg n THR 3 Cb 0.50 0.85 0.57 0.00 -1.82 0.00 0.00 70.33 70.43 2kmg n THR 3 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kmg n GLU 4 N 0.00 1.41 -1.78 -2.82 1.02 -1.26 -4.89 120.64 112.31 2kmg n GLU 4 Ca 0.00 -0.60 -0.32 0.00 -0.02 0.00 0.00 57.16 56.22 2kmg n GLU 4 Cb 0.55 -1.42 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 2kmg n GLU 4 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kmg s GLU 5 N -1.93 3.01 -0.21 3.49 2.02 -1.26 -5.00 118.70 118.81 2kmg s GLU 5 Ca 0.36 1.17 -0.25 0.00 0.02 0.00 0.00 54.97 56.27 2kmg s GLU 5 Cb 0.18 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.41 2kmg s GLU 5 CO 0.29 -1.06 0.83 1.14 0.02 0.00 0.00 175.26 176.48 2kmg s GLN 6 N -4.42 4.24 0.25 1.61 1.03 -1.26 -4.93 119.66 116.18 2kmg s GLN 6 Ca 0.62 0.97 0.23 0.00 0.04 0.00 0.00 55.36 57.23 2kmg s GLN 6 Cb -0.16 -3.61 0.98 0.00 0.03 0.00 0.00 33.01 30.25 2kmg s GLN 6 CO 0.44 -0.42 1.70 -0.35 -2.54 0.00 0.00 175.29 174.12 2kmg n PRO 7 N 5.63 0.18 -1.94 9.60 -0.04 -1.26 -4.79 135.00 142.39 2kmg n PRO 7 Ca 0.05 0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 63.53 2kmg n PRO 7 Cb 0.48 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 2kmg n PRO 7 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kmg s VAL 8 N -3.32 2.48 -0.07 0.52 1.01 -1.26 -5.02 120.40 114.73 2kmg s VAL 8 Ca 0.04 0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 2kmg s VAL 8 Cb 0.09 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.24 2kmg s VAL 8 CO 0.37 0.07 0.31 0.42 0.00 0.00 0.00 175.10 176.26 2kmg s THR 9 N -0.03 0.03 0.85 3.92 -4.23 -1.26 -4.81 115.64 110.11 2kmg s THR 9 Ca 0.60 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.81 2kmg s THR 9 Cb -0.44 -0.51 0.17 0.00 1.34 0.00 0.00 72.50 73.06 2kmg s THR 9 CO 0.45 -0.12 1.17 0.00 -0.54 0.00 0.00 174.62 175.58 2kmg s ALA 10 N -0.47 2.94 0.23 3.99 0.00 -1.26 -2.64 121.76 124.55 2kmg s ALA 10 Ca -0.06 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.22 2kmg s ALA 10 Cb -0.04 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.72 2kmg s ALA 10 CO 0.02 -2.00 0.60 0.45 0.00 0.00 0.00 175.76 174.83 2kmg s SER 11 N -4.84 -0.27 -0.11 0.00 0.15 -0.36 -4.88 113.70 103.39 2kmg s SER 11 Ca 0.71 -0.54 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 2kmg s SER 11 Cb -0.04 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.86 2kmg s SER 11 CO 0.49 -1.17 0.36 -0.22 1.20 0.00 0.00 173.24 173.90 2kmg s LEU 12 N -2.90 4.31 0.00 3.45 2.96 -1.26 -0.28 118.68 124.97 2kmg s LEU 12 Ca 0.11 0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 2kmg s LEU 12 Cb -0.03 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2kmg s LEU 12 CO 0.01 0.15 0.21 -0.69 -1.32 0.00 0.00 176.35 174.71 2kmg s VAL 13 N 0.05 5.40 0.54 1.68 1.01 -1.21 -4.91 120.40 122.96 2kmg s VAL 13 Ca 0.20 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 2kmg s VAL 13 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2kmg s VAL 13 CO 0.08 0.31 1.25 0.00 0.00 0.00 0.00 175.10 176.73 2kmg s ALA 14 N -1.34 2.76 0.47 5.51 0.00 -1.26 -4.79 121.76 123.11 2kmg s ALA 14 Ca 0.28 1.10 0.13 0.00 0.00 0.00 0.00 51.96 53.47 2kmg s ALA 14 Cb -0.13 -3.47 1.07 0.00 0.00 0.00 0.00 23.12 20.59 2kmg s ALA 14 CO 0.19 -1.09 2.07 1.05 0.00 0.00 0.00 175.76 177.98 2kmg h GLU 15 N 1.42 0.13 0.00 0.00 4.11 -1.98 0.19 114.58 118.45 2kmg h GLU 15 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2kmg h GLU 15 Cb 1.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kmg h GLU 15 CO 0.57 0.16 0.00 0.00 0.07 0.00 0.00 179.01 179.81 2kmg h ALA 16 N 1.86 1.00 0.00 1.06 0.00 -2.04 -2.78 119.26 118.37 2kmg h ALA 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kmg h ALA 16 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kmg h ALA 16 CO 0.00 0.00 -0.31 1.04 0.00 0.00 0.00 179.25 179.98 2kmg n GLN 17 N -2.91 4.93 0.14 0.00 1.13 -0.45 -4.55 117.38 115.68 2kmg n GLN 17 Ca -0.00 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2kmg n GLN 17 Cb 0.23 -0.78 0.29 0.00 0.11 0.00 0.00 30.24 30.09 2kmg n GLN 17 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kmg h ARG 18 N 0.00 0.11 0.00 -1.09 3.08 -0.39 0.39 114.38 116.47 2kmg h ARG 18 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2kmg h ARG 18 Cb 0.14 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2kmg h ARG 18 CO 0.00 0.49 -0.07 1.37 -1.07 0.00 0.00 179.97 180.68 2kmg h LEU 19 N 0.09 0.00 0.00 3.04 8.10 -1.80 -2.85 115.31 121.90 2kmg h LEU 19 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2kmg h LEU 19 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.96 2kmg h LEU 19 CO 0.06 0.07 -0.74 -0.67 -4.11 0.00 0.00 178.44 173.05 2kmg n ASP 20 N -3.48 1.76 -0.22 0.17 2.03 -0.97 -4.61 116.55 111.25 2kmg n ASP 20 Ca -0.02 -0.35 -0.07 0.00 0.52 0.00 0.00 54.79 54.87 2kmg n ASP 20 Cb 0.21 1.13 0.08 0.00 -0.72 0.00 0.00 41.12 41.82 2kmg n ASP 20 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kmg h PHE 21 N 0.00 1.11 0.45 -0.67 3.04 0.00 -0.35 116.94 120.52 2kmg h PHE 21 Ca 0.00 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 61.79 2kmg h PHE 21 Cb 0.21 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.41 2kmg h PHE 21 CO 0.00 0.92 -0.21 1.25 -2.02 0.00 0.00 178.31 178.25 2kmg h LEU 22 N 0.99 -0.51 -0.55 0.59 7.12 -1.80 -1.65 115.31 119.51 2kmg h LEU 22 Ca 0.20 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.19 2kmg h LEU 22 Cb 0.40 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2kmg h LEU 22 CO 0.01 -0.31 0.00 -0.81 -0.13 0.00 0.00 178.44 177.20 2kmg n PRO 23 N -5.32 0.17 0.13 5.25 -0.04 -1.19 -0.25 135.00 133.74 2kmg n PRO 23 Ca -0.11 0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 63.50 2kmg n PRO 23 Cb 0.27 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 31.77 2kmg n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2kmg h THR 24 N 0.00 1.25 0.00 0.52 2.02 -0.68 -1.80 112.91 114.22 2kmg h THR 24 Ca 0.00 -2.73 -0.19 0.00 0.77 0.00 0.00 66.41 64.26 2kmg h THR 24 Cb 0.37 2.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.71 2kmg h THR 24 CO 0.00 0.83 -2.15 -1.22 0.37 0.00 0.00 175.52 173.35 2kmg n TYR 25 N -3.66 0.00 -0.10 3.16 4.02 -0.65 -4.59 117.16 115.34 2kmg n TYR 25 Ca -0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.59 2kmg n TYR 25 Cb 1.09 -0.74 -0.11 0.00 -0.02 0.00 0.00 39.34 39.56 2kmg n TYR 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2kmg n PHE 26 N -2.49 0.00 0.00 -0.72 3.01 0.65 -5.08 117.46 112.83 2kmg n PHE 26 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2kmg n PHE 26 Cb 0.87 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 2kmg n PHE 26 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kmg n GLY 27 N 2.29 3.71 0.27 1.37 0.00 -0.70 -4.45 105.19 107.68 2kmg n GLY 27 Ca -0.35 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.28 2kmg n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kmg h PRO 28 N 0.00 0.00 0.03 1.61 0.13 -1.83 -0.42 132.00 131.51 2kmg h PRO 28 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 2kmg h PRO 28 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2kmg h PRO 28 CO 0.00 0.00 -2.26 -2.13 -0.23 0.00 0.00 178.00 173.38 2kmg n ARG 29 N -2.76 0.65 0.19 0.86 0.00 -1.26 -4.45 116.66 109.90 2kmg n ARG 29 Ca -0.02 0.25 0.05 0.00 -0.00 0.00 0.00 57.85 58.13 2kmg n ARG 29 Cb 0.06 -1.58 0.37 0.00 0.00 0.00 0.00 32.46 31.32 2kmg n ARG 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2kmg h LEU 30 N -0.32 0.00 -0.66 6.15 4.07 -1.69 -3.31 115.31 119.55 2kmg h LEU 30 Ca -0.55 0.00 0.24 0.00 0.08 0.00 0.00 57.88 57.65 2kmg h LEU 30 Cb 1.80 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.46 2kmg h LEU 30 CO -0.14 0.36 0.40 1.15 -1.08 0.00 0.00 178.44 179.14 2kmg n MET 31 N -3.66 -0.02 -0.11 1.13 0.00 -0.20 0.16 117.12 114.41 2kmg n MET 31 Ca -0.01 0.69 -0.13 0.00 0.00 0.00 0.00 57.70 58.25 2kmg n MET 31 Cb 0.47 -1.32 -0.14 0.00 0.00 0.00 0.00 33.22 32.22 2kmg n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg n MET 32 N -3.91 0.68 0.15 3.17 0.00 -1.25 -3.19 117.12 112.77 2kmg n MET 32 Ca 0.21 0.06 0.04 0.00 0.00 0.00 0.00 57.70 58.01 2kmg n MET 32 Cb 0.78 -1.52 0.44 0.00 0.00 0.00 0.00 33.22 32.93 2kmg n MET 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg h ARG 33 N 0.00 0.18 0.05 3.17 2.47 0.14 -2.48 114.38 117.91 2kmg h ARG 33 Ca -0.56 -0.04 -0.38 0.00 -1.26 0.00 0.00 59.98 57.75 2kmg h ARG 33 Cb 2.09 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 30.33 2kmg h ARG 33 CO -0.02 0.30 -2.25 0.41 0.56 0.00 0.00 179.97 178.96 2kmg n GLY 34 N -1.01 -0.46 0.32 0.04 0.00 0.20 -3.11 105.19 101.18 2kmg n GLY 34 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2kmg n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kmg h GLU 35 N -0.05 0.71 0.00 1.61 4.57 -1.55 0.14 114.58 120.01 2kmg h GLU 35 Ca -0.52 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.56 2kmg h GLU 35 Cb 1.92 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.34 2kmg h GLU 35 CO -0.04 0.47 -0.49 0.00 -1.18 0.00 0.00 179.01 177.77 2kmg h ALA 36 N 1.54 0.76 -0.40 2.92 0.00 -1.63 -3.29 119.26 119.16 2kmg h ALA 36 Ca 0.47 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2kmg h ALA 36 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kmg h ALA 36 CO -0.33 0.37 -0.35 1.25 0.00 0.00 0.00 179.25 180.19 2kmg h LEU 37 N 0.00 0.99 -0.26 0.00 7.12 -0.74 -0.41 115.31 122.01 2kmg h LEU 37 Ca -0.02 -0.44 -0.19 0.00 0.13 0.00 0.00 57.88 57.36 2kmg h LEU 37 Cb 1.23 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 2kmg h LEU 37 CO 0.03 1.23 -0.58 -0.37 -0.13 0.00 0.00 178.44 178.62 2kmg h VAL 38 N 0.77 1.28 0.00 1.05 -1.51 -1.26 -2.98 116.25 113.60 2kmg h VAL 38 Ca 0.07 -1.77 -0.03 0.00 -1.23 0.00 0.00 66.70 63.74 2kmg h VAL 38 Cb 0.94 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2kmg h VAL 38 CO 0.09 0.57 -0.16 0.10 -1.23 0.00 0.00 177.57 176.94 2kmg h TYR 39 N 0.62 0.00 -0.43 5.19 -0.00 -1.62 -2.75 116.97 117.99 2kmg h TYR 39 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2kmg h TYR 39 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.91 2kmg h TYR 39 CO 0.08 0.16 0.14 0.00 -0.00 0.00 0.00 178.16 178.54 2kmg h ALA 40 N 1.84 0.56 -0.05 0.10 0.00 -0.91 -1.40 119.26 119.39 2kmg h ALA 40 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2kmg h ALA 40 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kmg h ALA 40 CO 0.02 0.20 -0.72 -1.49 0.00 0.00 0.00 179.25 177.26 2kmg h TRP 41 N 0.55 0.38 -0.39 0.00 4.06 -1.50 -3.22 115.95 115.82 2kmg h TRP 41 Ca 0.14 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 2kmg h TRP 41 Cb 0.26 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.34 2kmg h TRP 41 CO 0.01 0.91 0.19 1.98 -3.56 0.00 0.00 178.44 177.96 2kmg h MET 42 N 0.19 0.56 0.00 0.49 4.05 -1.23 -1.74 114.93 117.25 2kmg h MET 42 Ca -0.03 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2kmg h MET 42 Cb 1.29 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 2kmg h MET 42 CO 0.12 0.50 0.00 2.89 0.23 0.00 0.00 176.91 180.64 2kmg n ARG 43 N -4.70 0.08 0.12 0.39 -4.01 -0.55 -1.48 116.66 106.51 2kmg n ARG 43 Ca -0.00 0.37 0.12 0.00 -1.04 0.00 0.00 57.85 57.30 2kmg n ARG 43 Cb 0.11 -1.68 0.08 0.00 -3.04 0.00 0.00 32.46 27.93 2kmg n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kmg h ARG 44 N 0.00 0.00 0.00 2.89 3.08 -1.33 -3.32 114.38 115.70 2kmg h ARG 44 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2kmg h ARG 44 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2kmg h ARG 44 CO 0.00 0.00 -0.93 -0.07 -1.07 0.00 0.00 179.97 177.90 2kmg h LEU 45 N 0.00 0.00 -9.10 3.04 3.38 -1.02 -3.44 115.31 108.18 2kmg h LEU 45 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2kmg h LEU 45 Cb 0.95 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 2kmg h LEU 45 CO 0.00 0.52 -0.80 0.00 0.09 0.00 0.00 178.44 178.25 2kmg n GLU 47 N 0.05 0.63 -0.18 0.00 0.28 -1.26 -4.19 120.64 115.97 2kmg n GLU 47 Ca -0.11 -0.05 0.06 0.00 -0.16 0.00 0.00 57.16 56.90 2kmg n GLU 47 Cb 0.57 -1.66 0.14 0.00 1.43 0.00 0.00 31.44 31.92 2kmg n GLU 47 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2kmg n ARG 48 N -2.46 2.60 -2.03 3.44 1.85 -1.26 -4.95 116.66 113.85 2kmg n ARG 48 Ca -0.02 -2.24 -0.27 0.00 -1.00 0.00 0.00 57.85 54.32 2kmg n ARG 48 Cb 0.57 -1.41 -0.05 0.00 -1.05 0.00 0.00 32.46 30.52 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2kmg s TYR 49 N -1.87 1.77 -0.35 2.89 6.14 -1.26 -4.73 117.35 119.94 2kmg s TYR 49 Ca 0.24 0.69 0.21 0.00 0.64 0.00 0.00 57.07 58.86 2kmg s TYR 49 Cb 0.18 -4.03 0.23 0.00 0.42 0.00 0.00 41.96 38.77 2kmg s TYR 49 CO 0.08 -1.79 1.48 -0.91 0.64 0.00 0.00 175.55 175.05 2kmg h ASN 50 N 11.64 0.00 -2.06 4.32 -0.26 -1.96 -3.45 115.58 123.81 2kmg h ASN 50 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2kmg h ASN 50 Cb 1.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.28 2kmg h ASN 50 CO 1.20 0.11 0.00 0.61 -1.06 0.00 0.00 177.43 178.29 2kmg n GLY 51 N 1.14 1.67 3.69 2.83 0.00 -1.26 -5.16 105.19 108.10 2kmg n GLY 51 Ca 0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 2kmg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmg s ALA 52 N -1.80 -1.77 -0.93 4.61 0.00 -1.26 -5.02 121.76 115.59 2kmg s ALA 52 Ca 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 2kmg s ALA 52 Cb 0.00 0.55 0.11 0.00 0.00 0.00 0.00 23.12 23.78 2kmg s ALA 52 CO 0.00 -0.98 1.20 0.71 0.00 0.00 0.00 175.76 176.69 2kmg s TYR 53 N -3.13 2.94 -1.16 0.00 2.02 -1.26 -4.79 117.35 111.96 2kmg s TYR 53 Ca 0.11 -1.19 -0.22 0.00 -0.37 0.00 0.00 57.07 55.41 2kmg s TYR 53 Cb -0.00 -4.39 -0.07 0.00 -0.40 0.00 0.00 41.96 37.09 2kmg s TYR 53 CO -0.00 -1.62 1.91 0.91 -1.57 0.00 0.00 175.55 175.18 2kmg n TRP 54 N 7.24 2.94 -1.62 2.71 8.01 -1.25 -1.81 117.44 133.65 2kmg n TRP 54 Ca 0.24 -1.75 -0.39 0.00 -1.31 0.00 0.00 57.50 54.29 2kmg n TRP 54 Cb 0.49 -2.51 0.03 0.00 -2.01 0.00 0.00 31.31 27.31 2kmg n TRP 54 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2kmg n HIS 55 N 12.47 1.03 -3.38 -5.99 8.25 0.12 -4.50 115.22 123.22 2kmg n HIS 55 Ca 0.46 0.48 -0.38 0.00 -0.26 0.00 0.00 57.72 58.03 2kmg n HIS 55 Cb 0.46 -2.19 -0.06 0.00 1.12 0.00 0.00 29.99 29.31 2kmg n HIS 55 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2kmg s TYR 56 N -1.41 3.63 0.02 4.41 2.02 -1.26 -1.63 117.35 123.14 2kmg s TYR 56 Ca 0.69 0.98 0.08 0.00 -0.37 0.00 0.00 57.07 58.45 2kmg s TYR 56 Cb -0.47 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 2kmg s TYR 56 CO 0.52 0.40 -0.23 0.71 -1.57 0.00 0.00 175.55 175.38 2kmg s TYR 57 N -0.25 2.06 -0.36 2.71 2.02 0.04 -3.32 117.35 120.24 2kmg s TYR 57 Ca 0.25 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.49 2kmg s TYR 57 Cb -0.16 -1.27 0.05 0.00 -0.40 0.00 0.00 41.96 40.18 2kmg s TYR 57 CO 0.13 0.05 0.15 0.00 -1.57 0.00 0.00 175.55 174.31 2kmg s ALA 58 N -0.70 3.13 0.39 3.71 0.00 0.61 -2.56 121.76 126.34 2kmg s ALA 58 Ca 0.09 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 2kmg s ALA 58 Cb -0.09 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 2kmg s ALA 58 CO 0.01 -1.41 0.76 -0.51 0.00 0.00 0.00 175.76 174.61 2kmg s LEU 59 N 1.42 3.86 0.44 0.00 1.43 -1.26 -1.22 118.68 123.35 2kmg s LEU 59 Ca -0.00 1.15 0.13 0.00 -1.03 0.00 0.00 54.13 54.38 2kmg s LEU 59 Cb -0.20 -4.02 0.98 0.00 0.03 0.00 0.00 46.19 42.98 2kmg s LEU 59 CO 0.03 -0.37 2.00 -1.28 0.23 0.00 0.00 176.35 176.96 2kmg h SER 60 N 1.39 0.09 0.07 2.29 0.87 -1.88 -0.81 113.55 115.57 2kmg h SER 60 Ca -0.47 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kmg h SER 60 Cb 1.19 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kmg h SER 60 CO 0.64 0.21 -0.02 0.47 -0.53 0.00 0.00 176.83 177.60 2kmg n ASP 61 N -4.36 0.59 0.00 6.23 8.00 -1.26 -4.88 116.55 120.87 2kmg n ASP 61 Ca -0.02 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2kmg n ASP 61 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kmg n GLY 62 N 1.11 0.53 0.15 0.44 0.00 -0.31 -4.92 105.19 102.19 2kmg n GLY 62 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 2kmg n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kmg h GLY 63 N 0.00 0.46 -4.12 -0.02 0.00 -1.87 -3.46 103.07 94.06 2kmg h GLY 63 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2kmg h GLY 63 CO 0.00 0.19 -0.88 0.33 0.00 0.00 0.00 176.54 176.18 2kmg n PHE 64 N -4.83 -4.54 -4.15 5.60 7.35 -1.26 -4.86 117.46 110.78 2kmg n PHE 64 Ca -0.01 2.73 -0.14 0.00 -0.76 0.00 0.00 57.45 59.26 2kmg n PHE 64 Cb 0.05 -3.58 -0.11 0.00 0.35 0.00 0.00 39.48 36.19 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2kmg s TYR 65 N -0.48 0.99 -0.01 -5.13 1.13 -1.06 -4.97 117.35 107.82 2kmg s TYR 65 Ca 0.00 -0.62 0.05 0.00 -1.41 0.00 0.00 57.07 55.09 2kmg s TYR 65 Cb 0.00 -0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 40.28 2kmg s TYR 65 CO 0.00 -0.02 -0.15 -1.64 -2.51 0.00 0.00 175.55 171.23 2kmg s MET 66 N -2.48 2.34 -0.01 -3.49 -1.94 -1.26 -0.78 119.30 111.67 2kmg s MET 66 Ca 0.02 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 2kmg s MET 66 Cb -0.05 -2.30 -0.00 0.00 2.01 0.00 0.00 34.83 34.49 2kmg s MET 66 CO 0.00 0.59 -0.06 0.00 -0.01 0.00 0.00 175.02 175.54 2kmg s ALA 67 N -0.82 0.53 0.87 3.03 0.00 -0.65 -4.48 121.76 120.25 2kmg s ALA 67 Ca 0.13 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 2kmg s ALA 67 Cb -0.11 -0.15 0.12 0.00 0.00 0.00 0.00 23.12 22.98 2kmg s ALA 67 CO 0.03 0.12 1.10 -1.25 0.00 0.00 0.00 175.76 175.76 2kmg s PRO 68 N -0.09 1.43 -0.86 0.00 0.04 -1.24 0.11 135.00 134.40 2kmg s PRO 68 Ca 0.02 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.05 2kmg s PRO 68 Cb -0.03 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 32.92 2kmg s PRO 68 CO -0.00 -2.20 0.77 0.34 0.04 0.00 0.00 177.00 175.95 2kmg s ASP 69 N -3.21 6.45 -0.23 6.66 2.15 -0.75 -4.53 116.67 123.21 2kmg s ASP 69 Ca 0.64 -3.07 -0.04 0.00 0.43 0.00 0.00 52.55 50.50 2kmg s ASP 69 Cb -0.19 -2.09 0.08 0.00 -0.30 0.00 0.00 42.92 40.42 2kmg s ASP 69 CO 0.57 -0.41 0.11 -0.76 -0.17 0.00 0.00 175.17 174.51 2kmg s LEU 70 N -0.41 0.47 -0.34 -1.34 2.01 -1.26 -4.61 118.68 113.21 2kmg s LEU 70 Ca 0.22 -0.95 -0.20 0.00 0.01 0.00 0.00 54.13 53.20 2kmg s LEU 70 Cb -0.12 -0.31 -0.00 0.00 0.01 0.00 0.00 46.19 45.77 2kmg s LEU 70 CO -0.08 -0.39 0.64 0.00 1.01 0.00 0.00 176.35 177.53 2kmg s ALA 71 N 2.11 3.48 0.00 4.21 0.00 -1.26 -2.98 121.76 127.32 2kmg s ALA 71 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2kmg s ALA 71 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2kmg s ALA 71 CO -0.23 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.68 2kmg n GLY 72 N 4.59 0.71 3.23 0.00 0.00 -1.26 -5.05 105.19 107.41 2kmg n GLY 72 Ca -0.01 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 2kmg n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmg s ARG 73 N -1.61 3.09 -0.11 1.61 0.52 -1.26 -4.27 118.95 116.93 2kmg s ARG 73 Ca 0.00 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2kmg s ARG 73 Cb 0.00 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.59 2kmg s ARG 73 CO 0.00 -0.27 -0.14 -0.48 0.02 0.00 0.00 175.30 174.43 2kmg s LEU 74 N 1.38 1.66 -0.20 2.53 2.34 -1.25 -5.00 118.68 120.14 2kmg s LEU 74 Ca 0.04 -0.40 -0.29 0.00 0.06 0.00 0.00 54.13 53.54 2kmg s LEU 74 Cb -0.15 -1.04 -0.05 0.00 -0.56 0.00 0.00 46.19 44.40 2kmg s LEU 74 CO -0.06 0.00 2.01 -1.83 -1.06 0.00 0.00 176.35 175.41 2kmg s GLU 75 N 1.05 3.42 -0.27 1.48 -1.05 -1.26 -2.43 118.70 119.63 2kmg s GLU 75 Ca -0.06 1.94 0.01 0.00 -0.15 0.00 0.00 54.97 56.72 2kmg s GLU 75 Cb -0.15 -4.26 0.08 0.00 -0.44 0.00 0.00 34.13 29.36 2kmg s GLU 75 CO -0.02 -1.76 0.00 0.42 0.95 0.00 0.00 175.26 174.85 2kmg s ILE 76 N 6.99 1.58 -0.12 1.83 -1.09 -1.23 -4.75 121.20 124.40 2kmg s ILE 76 Ca 0.90 -1.53 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 2kmg s ILE 76 Cb -0.31 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 2kmg s ILE 76 CO 0.35 -0.33 1.02 -1.83 -1.23 0.00 0.00 174.94 172.92 2kmg s GLU 77 N 1.32 4.39 -0.91 2.79 -1.05 0.20 -3.23 118.70 122.21 2kmg s GLU 77 Ca 0.01 1.40 -0.18 0.00 -0.15 0.00 0.00 54.97 56.05 2kmg s GLU 77 Cb -0.19 -3.56 0.14 0.00 -0.44 0.00 0.00 34.13 30.09 2kmg s GLU 77 CO -0.10 -0.37 1.07 0.08 0.95 0.00 0.00 175.26 176.89 2kmg s VAL 78 N 2.21 4.85 -1.08 1.83 1.01 -0.61 -4.15 120.40 124.45 2kmg s VAL 78 Ca 0.48 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2kmg s VAL 78 Cb -0.18 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.47 2kmg s VAL 78 CO 0.16 -1.44 0.40 -0.46 0.00 0.00 0.00 175.10 173.76 2kmg n ASN 79 N 6.20 0.67 0.06 3.32 2.04 -1.26 -1.32 115.26 124.97 2kmg n ASN 79 Ca 0.22 -1.47 0.11 0.00 -0.44 0.00 0.00 54.58 53.00 2kmg n ASN 79 Cb 0.49 -0.34 -0.07 0.00 -2.53 0.00 0.00 39.78 37.33 2kmg n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2kmg n GLY 80 N 0.14 -1.28 0.09 4.83 0.00 -1.26 -4.56 105.19 103.15 2kmg n GLY 80 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2kmg n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kmg n ASN 81 N -2.51 0.00 -0.37 1.61 0.23 -1.13 -4.90 115.26 108.18 2kmg n ASN 81 Ca -0.02 -1.04 -0.05 0.00 -0.53 0.00 0.00 54.58 52.95 2kmg n ASN 81 Cb 0.56 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 2kmg n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kmg n GLY 82 N 0.00 0.75 3.48 4.83 0.00 -0.43 -4.97 105.19 108.84 2kmg n GLY 82 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 2kmg n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kmg s PHE 83 N -2.12 2.82 -0.43 1.61 5.36 -0.88 -4.90 117.98 119.43 2kmg s PHE 83 Ca 0.00 -0.94 -0.26 0.00 -0.96 0.00 0.00 56.93 54.77 2kmg s PHE 83 Cb 0.00 -4.38 0.02 0.00 -0.34 0.00 0.00 43.02 38.32 2kmg s PHE 83 CO 0.00 -1.66 0.95 0.50 -1.46 0.00 0.00 175.22 173.55 2kmg s ARG 84 N 3.73 3.65 -0.28 10.12 3.52 -1.26 -1.57 118.95 136.86 2kmg s ARG 84 Ca 0.32 0.33 -0.23 0.00 -0.13 0.00 0.00 55.73 56.02 2kmg s ARG 84 Cb -0.08 -3.89 0.09 0.00 -1.56 0.00 0.00 34.95 29.51 2kmg s ARG 84 CO -0.02 -1.15 0.80 0.20 -0.81 0.00 0.00 175.30 174.32 2kmg s GLY 85 N 2.16 -0.43 0.24 8.12 0.00 -1.20 -4.97 107.32 111.25 2kmg s GLY 85 Ca 0.38 2.30 -0.30 0.00 0.00 0.00 0.00 44.72 47.11 2kmg s GLY 85 CO 0.24 1.91 1.24 -0.54 0.00 0.00 0.00 173.10 175.96 2kmg s GLU 86 N 0.58 4.45 -0.03 2.90 2.02 -1.26 -3.55 118.70 123.81 2kmg s GLU 86 Ca -0.01 2.01 -0.14 0.00 0.02 0.00 0.00 54.97 56.85 2kmg s GLU 86 Cb -0.05 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 31.03 2kmg s GLU 86 CO -0.05 -0.11 0.30 -1.17 0.02 0.00 0.00 175.26 174.25 2kmg s LEU 87 N -0.82 0.89 0.00 1.80 2.96 -1.02 -4.91 118.68 117.59 2kmg s LEU 87 Ca 0.51 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 2kmg s LEU 87 Cb -0.36 1.19 0.03 0.00 0.50 0.00 0.00 46.19 47.56 2kmg s LEU 87 CO 0.42 -0.38 0.07 -1.20 -1.32 0.00 0.00 176.35 173.94 2kmg n SER 88 N 1.58 -1.81 0.10 3.68 7.64 -1.26 -3.91 113.62 119.64 2kmg n SER 88 Ca -0.20 -0.22 0.12 0.00 1.01 0.00 0.00 58.87 59.57 2kmg n SER 88 Cb 0.56 -0.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.76 2kmg n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kmg h ALA 89 N -2.10 0.58 0.00 -0.43 0.00 -1.81 -3.14 119.26 112.35 2kmg h ALA 89 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kmg h ALA 89 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kmg h ALA 89 CO 0.02 0.00 -0.22 0.22 0.00 0.00 0.00 179.25 179.27 2kmg h ASP 90 N 0.00 0.00 0.49 0.00 3.58 -1.85 -1.85 116.42 116.79 2kmg h ASP 90 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2kmg h ASP 90 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 2kmg h ASP 90 CO 0.00 0.67 0.00 0.00 -2.88 0.00 0.00 179.24 177.03 2kmg h ALA 91 N -0.89 1.00 0.07 -0.78 0.00 -1.95 -2.69 119.26 114.02 2kmg h ALA 91 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 2kmg h ALA 91 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2kmg h ALA 91 CO -0.01 0.00 -2.10 0.00 0.00 0.00 0.00 179.25 177.14 2kmg n ALA 92 N -2.00 1.13 0.33 0.00 0.00 -1.19 -4.00 120.51 114.78 2kmg n ALA 92 Ca -0.01 -0.78 0.19 0.00 0.00 0.00 0.00 53.44 52.85 2kmg n ALA 92 Cb 0.18 -0.53 1.02 0.00 0.00 0.00 0.00 19.45 20.12 2kmg n ALA 92 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kmg h GLY 93 N 1.80 0.00 1.09 0.00 0.00 -0.99 0.56 103.07 105.53 2kmg h GLY 93 Ca -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 2kmg h GLY 93 CO 0.04 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 174.03 2kmg h ILE 94 N 0.00 1.28 0.00 2.60 1.08 -1.67 -2.47 117.51 118.33 2kmg h ILE 94 Ca 0.01 -1.50 -0.15 0.00 -0.39 0.00 0.00 64.86 62.82 2kmg h ILE 94 Cb 0.32 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 2kmg h ILE 94 CO -0.00 0.50 -0.72 0.58 -0.69 0.00 0.00 178.15 177.83 2kmg h VAL 95 N 0.72 1.46 -0.14 1.67 2.07 -1.10 -2.13 116.25 118.80 2kmg h VAL 95 Ca 0.07 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.03 2kmg h VAL 95 Cb 0.92 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2kmg h VAL 95 CO 0.09 0.70 -0.12 0.00 0.02 0.00 0.00 177.57 178.26 2kmg h ALA 96 N 1.28 0.21 -0.11 1.67 0.00 -1.31 -2.51 119.26 118.48 2kmg h ALA 96 Ca -0.01 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2kmg h ALA 96 Cb 1.31 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kmg h ALA 96 CO 0.09 0.06 -0.55 0.00 0.00 0.00 0.00 179.25 178.86 2kmg h THR 97 N -0.03 1.35 -0.20 0.00 1.03 -1.51 -3.09 112.91 110.46 2kmg h THR 97 Ca 0.03 -1.84 0.04 0.00 -0.01 0.00 0.00 66.41 64.62 2kmg h THR 97 Cb 0.63 2.15 -0.04 0.00 -1.07 0.00 0.00 68.15 69.82 2kmg h THR 97 CO 0.03 0.56 -0.07 -0.07 -0.01 0.00 0.00 175.52 175.96 2kmg h LEU 98 N 0.19 -0.25 -1.88 0.00 3.38 -1.45 -0.74 115.31 114.56 2kmg h LEU 98 Ca -0.04 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2kmg h LEU 98 Cb 1.19 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2kmg h LEU 98 CO 0.11 -0.10 0.23 -0.26 0.09 0.00 0.00 178.44 178.52 2kmg h PHE 99 N -0.04 0.15 -0.36 1.13 -1.00 -1.52 -1.34 116.94 113.96 2kmg h PHE 99 Ca 0.10 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.73 2kmg h PHE 99 Cb 0.19 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 2kmg h PHE 99 CO -0.24 0.08 -0.40 0.00 -1.61 0.00 0.00 178.31 176.14 2kmg h ALA 100 N 1.83 0.53 -0.75 2.45 0.00 -1.09 -3.03 119.26 119.20 2kmg h ALA 100 Ca 0.15 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 100 Cb 0.41 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2kmg h ALA 100 CO -0.02 0.65 0.47 -0.07 0.00 0.00 0.00 179.25 180.28 2kmg h LEU 101 N 0.72 0.78 -1.31 0.00 3.38 -0.23 -1.28 115.31 117.37 2kmg h LEU 101 Ca 0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2kmg h LEU 101 Cb 1.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2kmg h LEU 101 CO 0.10 0.54 -0.32 1.23 0.09 0.00 0.00 178.44 180.08 2kmg h GLY 102 N 0.93 0.05 0.30 0.83 0.00 -1.46 -2.93 103.07 100.79 2kmg h GLY 102 Ca 0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 2kmg h GLY 102 CO -0.11 0.03 -0.33 -1.61 0.00 0.00 0.00 176.54 174.53 2kmg h GLN 103 N 0.04 0.13 -0.11 4.80 4.15 -1.31 -3.07 115.11 119.75 2kmg h GLN 103 Ca 0.00 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.25 2kmg h GLN 103 Cb 0.59 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 2kmg h GLN 103 CO 0.04 1.08 0.18 -0.07 -1.93 0.00 0.00 178.83 178.13 2kmg h LEU 104 N -0.71 0.00 0.12 -2.39 3.38 -1.26 0.28 115.31 114.73 2kmg h LEU 104 Ca -0.06 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.63 2kmg h LEU 104 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kmg h LEU 104 CO 0.06 0.00 -1.37 0.00 0.09 0.00 0.00 178.44 177.22 2kmg h ALA 105 N 1.75 0.18 -0.00 1.53 0.00 -1.57 -3.14 119.26 118.01 2kmg h ALA 105 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2kmg h ALA 105 Cb 0.41 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kmg h ALA 105 CO -0.00 1.05 -0.35 0.00 0.00 0.00 0.00 179.25 179.96 2kmg n ALA 106 N -2.59 3.19 0.06 0.00 0.00 -0.06 -3.89 120.51 117.21 2kmg n ALA 106 Ca -0.12 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2kmg n ALA 106 Cb 1.03 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 19.12 2kmg n ALA 106 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kmg h GLU 107 N 0.09 0.36 0.00 0.00 4.57 -0.61 -3.30 114.58 115.68 2kmg h GLU 107 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 2kmg h GLU 107 Cb 0.49 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2kmg h GLU 107 CO 0.00 1.29 0.00 0.44 -1.18 0.00 0.00 179.01 179.56 2kmg n ILE 108 N -3.56 0.21 -4.38 2.32 -5.35 -1.19 -4.99 119.36 102.43 2kmg n ILE 108 Ca -0.26 0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2kmg n ILE 108 Cb 1.07 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 2kmg n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmg n ALA 109 N -1.16 0.00 -1.21 -1.28 0.00 -1.25 -4.95 120.51 110.66 2kmg n ALA 109 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 2kmg n ALA 109 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 110 N -3.12 -7.21 0.00 0.00 8.00 -1.26 -4.32 116.55 108.63 2kmg n ASP 110 Ca 0.00 0.79 0.00 0.00 0.71 0.00 0.00 54.79 56.29 2kmg n ASP 110 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 2kmg n ASP 110 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kmg n THR 111 N -3.11 0.32 -0.01 -3.53 5.66 -1.26 -4.55 114.28 107.80 2kmg n THR 111 Ca 0.01 -0.40 -0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2kmg n THR 111 Cb 0.34 1.02 -0.00 0.00 -1.55 0.00 0.00 70.33 70.13 2kmg n THR 111 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2kmg h ASP 112 N 0.00 0.00 1.58 1.09 3.32 -1.99 -3.36 116.42 117.06 2kmg h ASP 112 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmg h ASP 112 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2kmg h ASP 112 CO 0.00 0.12 -0.15 0.00 -1.72 0.00 0.00 179.24 177.49 2kmg h ALA 113 N -1.79 0.91 0.00 3.45 0.00 -1.89 -3.16 119.26 116.77 2kmg h ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmg h ALA 113 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kmg h ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2kmg n ALA 114 N -1.95 2.09 -0.16 0.00 0.00 -1.26 -2.53 120.51 116.70 2kmg n ALA 114 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kmg n ALA 114 Cb 0.48 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2kmg n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 115 N -1.27 0.56 -0.09 0.00 8.00 -1.20 -4.53 116.55 118.02 2kmg n ASP 115 Ca 0.10 -0.83 -0.18 0.00 0.71 0.00 0.00 54.79 54.59 2kmg n ASP 115 Cb 0.16 0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.37 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmg h ALA 116 N 0.00 0.18 -0.09 2.24 0.00 -1.46 -3.37 119.26 116.77 2kmg h ALA 116 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 54.91 53.89 2kmg h ALA 116 Cb 0.08 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kmg h ALA 116 CO 0.00 0.54 -0.17 1.37 0.00 0.00 0.00 179.25 180.99 2kmg h LEU 117 N -1.00 0.13 -1.97 0.00 8.10 -1.84 -2.39 115.31 116.35 2kmg h LEU 117 Ca -0.24 -0.03 0.27 0.00 0.11 0.00 0.00 57.88 58.00 2kmg h LEU 117 Cb 1.12 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 41.27 2kmg h LEU 117 CO -0.14 0.32 0.71 0.40 -4.11 0.00 0.00 178.44 175.62 2kmg h ILE 118 N 0.13 0.46 -0.91 0.15 1.08 -1.80 0.61 117.51 117.24 2kmg h ILE 118 Ca 0.03 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.68 2kmg h ILE 118 Cb 0.39 0.50 -0.11 0.00 -3.07 0.00 0.00 36.82 34.53 2kmg h ILE 118 CO 0.03 0.00 0.48 0.44 -0.69 0.00 0.00 178.15 178.40 2kmg h ASP 119 N 0.00 0.55 -0.88 1.72 5.19 -1.60 0.93 116.42 122.33 2kmg h ASP 119 Ca 0.45 0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.99 2kmg h ASP 119 Cb 1.87 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 41.36 2kmg h ASP 119 CO -0.00 0.17 0.58 0.03 -3.12 0.00 0.00 179.24 176.90 2kmg h ARG 120 N 0.60 1.10 0.38 3.56 -0.00 -1.09 -1.93 114.38 117.00 2kmg h ARG 120 Ca 0.52 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.93 2kmg h ARG 120 Cb 0.85 -0.25 -0.02 0.00 0.00 0.00 0.00 29.97 30.55 2kmg h ARG 120 CO -0.42 0.73 -0.31 -0.92 0.00 0.00 0.00 179.97 179.05 2kmg h TYR 121 N 1.14 -0.84 -0.82 3.04 5.03 -0.93 -1.31 116.97 122.27 2kmg h TYR 121 Ca 0.34 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.71 2kmg h TYR 121 Cb -0.04 0.32 -0.05 0.00 1.55 0.00 0.00 36.73 38.51 2kmg h TYR 121 CO -0.00 -0.46 0.54 0.45 -1.32 0.00 0.00 178.16 177.37 2kmg h HIS 122 N -0.70 0.93 0.63 -3.82 3.86 -1.33 -0.33 115.15 114.39 2kmg h HIS 122 Ca -0.03 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2kmg h HIS 122 Cb 0.61 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2kmg h HIS 122 CO -0.16 0.49 -0.31 0.74 0.86 0.00 0.00 177.93 179.55 2kmg h PHE 123 N 0.92 -0.82 -0.33 2.45 0.04 -0.87 -2.91 116.94 115.41 2kmg h PHE 123 Ca 0.35 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 2kmg h PHE 123 Cb 0.20 0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 2kmg h PHE 123 CO -0.00 -0.50 0.16 1.25 -0.60 0.00 0.00 178.31 178.62 2kmg h LEU 124 N -0.86 0.43 -1.22 1.54 5.85 -0.99 -2.67 115.31 117.39 2kmg h LEU 124 Ca -0.09 -0.12 0.36 0.00 0.84 0.00 0.00 57.88 58.88 2kmg h LEU 124 Cb 0.67 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 41.45 2kmg h LEU 124 CO 0.13 0.43 0.69 -0.09 -0.34 0.00 0.00 178.44 179.27 2kmg h ARG 125 N 0.40 0.21 -0.19 1.25 2.43 -1.01 0.52 114.38 117.99 2kmg h ARG 125 Ca 0.11 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2kmg h ARG 125 Cb 0.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2kmg h ARG 125 CO -0.01 0.14 -0.40 0.78 -1.51 0.00 0.00 179.97 178.96 2kmg h GLY 126 N 0.22 0.48 2.00 2.80 0.00 -1.27 -2.94 103.07 104.36 2kmg h GLY 126 Ca 0.75 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 2kmg h GLY 126 CO -0.49 0.43 -0.32 -2.75 0.00 0.00 0.00 176.54 173.41 2kmg h PHE 127 N 0.37 0.00 -0.10 5.60 3.57 0.01 -2.57 116.94 123.83 2kmg h PHE 127 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2kmg h PHE 127 Cb 0.87 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2kmg h PHE 127 CO 0.03 0.32 -0.08 0.00 -2.23 0.00 0.00 178.31 176.35 2kmg h ALA 128 N 1.68 1.70 0.00 2.41 0.00 -1.27 -1.75 119.26 122.03 2kmg h ALA 128 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kmg h ALA 128 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kmg h ALA 128 CO 0.04 0.23 -0.21 0.00 0.00 0.00 0.00 179.25 179.31 2kmg h ALA 129 N 1.79 1.36 0.00 0.00 0.00 -1.53 -1.74 119.26 119.13 2kmg h ALA 129 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kmg h ALA 129 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kmg h ALA 129 CO 0.01 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2kmg n GLY 130 N -0.61 -1.47 3.84 0.00 0.00 -0.66 -4.80 105.19 101.49 2kmg n GLY 130 Ca -0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2kmg n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kmg s HIS 131 N -3.07 3.42 0.34 1.61 3.76 -0.65 -4.99 115.29 115.71 2kmg s HIS 131 Ca 0.11 1.23 0.06 0.00 -0.15 0.00 0.00 55.06 56.31 2kmg s HIS 131 Cb 0.14 -2.54 0.63 0.00 1.11 0.00 0.00 32.58 31.92 2kmg s HIS 131 CO 0.50 0.14 1.86 -1.35 -0.85 0.00 0.00 174.74 175.04 2kmg h PRO 132 N 2.47 0.40 -0.61 8.40 0.11 -1.87 -1.93 132.00 138.96 2kmg h PRO 132 Ca -0.48 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2kmg h PRO 132 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2kmg h PRO 132 CO 0.65 0.52 0.00 0.39 -0.21 0.00 0.00 178.00 179.35 2kmg n GLU 133 N -4.24 2.46 -0.32 1.05 4.71 -1.26 -4.44 120.64 118.60 2kmg n GLU 133 Ca 0.00 -1.44 0.18 0.00 -0.01 0.00 0.00 57.16 55.89 2kmg n GLU 133 Cb 0.29 -1.63 0.35 0.00 -1.01 0.00 0.00 31.44 29.45 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kmg h ALA 134 N 3.27 1.42 -0.64 0.62 0.00 -1.48 0.45 119.26 122.90 2kmg h ALA 134 Ca 0.00 0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2kmg h ALA 134 Cb 0.91 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2kmg h ALA 134 CO 0.14 -0.61 0.26 0.00 0.00 0.00 0.00 179.25 179.04 2kmg h ALA 135 N 1.91 0.84 -0.26 0.00 0.00 -1.85 -0.31 119.26 119.59 2kmg h ALA 135 Ca 0.63 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.46 2kmg h ALA 135 Cb 1.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2kmg h ALA 135 CO -0.79 -0.16 -0.49 0.00 0.00 0.00 0.00 179.25 177.81 2kmg h ALA 136 N 1.42 0.65 0.24 0.00 0.00 -0.50 -2.86 119.26 118.20 2kmg h ALA 136 Ca 0.32 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kmg h ALA 136 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kmg h ALA 136 CO -0.30 0.68 -0.11 0.82 0.00 0.00 0.00 179.25 180.33 2kmg h ILE 137 N 0.56 0.83 -0.45 0.00 2.04 -0.48 -0.00 117.51 120.01 2kmg h ILE 137 Ca 0.03 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 2kmg h ILE 137 Cb 1.05 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2kmg h ILE 137 CO 0.10 0.10 0.02 0.10 0.00 0.00 0.00 178.15 178.48 2kmg h TYR 138 N -0.56 0.75 -0.03 1.37 -0.00 -1.17 -2.22 116.97 115.11 2kmg h TYR 138 Ca -0.03 -0.09 -0.18 0.00 -0.00 0.00 0.00 58.73 58.43 2kmg h TYR 138 Cb 0.41 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2kmg h TYR 138 CO 0.00 0.69 -0.77 0.07 -0.00 0.00 0.00 178.16 178.16 2kmg h ARG 139 N 0.68 0.24 -0.36 0.10 0.11 -1.51 -0.00 114.38 113.62 2kmg h ARG 139 Ca 0.14 -0.21 -0.05 0.00 0.10 0.00 0.00 59.98 59.95 2kmg h ARG 139 Cb 0.39 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 2kmg h ARG 139 CO 0.01 0.90 0.01 0.00 0.10 0.00 0.00 179.97 180.98 2kmg h ALA 140 N 1.04 1.34 0.00 0.08 0.00 -0.56 -2.40 119.26 118.76 2kmg h ALA 140 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kmg h ALA 140 Cb 1.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kmg h ALA 140 CO 0.12 0.46 -0.89 0.44 0.00 0.00 0.00 179.25 179.37 2kmg n ILE 141 N -4.27 0.20 1.68 0.00 -5.35 -0.87 -4.54 119.36 106.21 2kmg n ILE 141 Ca 0.02 -0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.40 2kmg n ILE 141 Cb 0.25 0.14 0.80 0.00 -1.74 0.00 0.00 39.64 39.09 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12