#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg n ASN 2 N 0.00 0.00 0.00 3.17 0.23 -1.26 -4.87 115.26 112.53 2kmg n ASN 2 Ca 0.00 -1.44 0.05 0.00 -0.53 0.00 0.00 54.58 52.66 2kmg n ASN 2 Cb 0.00 -0.09 0.31 0.00 -2.08 0.00 0.00 39.78 37.92 2kmg n ASN 2 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2kmg n THR 3 N 0.00 0.00 -1.24 5.53 -2.24 -1.26 -4.85 114.28 110.22 2kmg n THR 3 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2kmg n THR 3 Cb 0.59 -0.34 0.11 0.00 -2.10 0.00 0.00 70.33 68.59 2kmg n THR 3 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kmg s GLU 4 N -2.00 1.96 -0.20 -0.78 8.01 -1.26 -4.55 118.70 119.87 2kmg s GLU 4 Ca 0.16 1.52 -0.11 0.00 0.01 0.00 0.00 54.97 56.55 2kmg s GLU 4 Cb 0.07 -1.84 0.04 0.00 -4.31 0.00 0.00 34.13 28.10 2kmg s GLU 4 CO 0.12 -1.93 0.23 -1.91 0.01 0.00 0.00 175.26 171.78 2kmg n GLU 5 N -3.25 -4.51 -2.67 1.61 0.00 -1.26 -4.93 120.64 105.62 2kmg n GLU 5 Ca 0.12 3.41 -0.42 0.00 0.00 0.00 0.00 57.16 60.27 2kmg n GLU 5 Cb 0.52 -5.11 -0.04 0.00 0.00 0.00 0.00 31.44 26.81 2kmg n GLU 5 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 2kmg s GLN 6 N -0.77 4.61 0.00 5.31 1.03 -1.26 -4.91 119.66 123.66 2kmg s GLN 6 Ca -0.26 1.50 0.06 0.00 0.04 0.00 0.00 55.36 56.70 2kmg s GLN 6 Cb 0.02 -3.40 0.39 0.00 0.03 0.00 0.00 33.01 30.05 2kmg s GLN 6 CO 0.80 0.05 0.81 -2.30 -2.54 0.00 0.00 175.29 172.11 2kmg n PRO 7 N 3.31 0.43 -2.50 9.60 -0.02 -1.26 -4.74 135.00 139.83 2kmg n PRO 7 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2kmg n PRO 7 Cb 0.49 -1.23 -0.03 0.00 -0.02 0.00 0.00 33.50 32.71 2kmg n PRO 7 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kmg s VAL 8 N -2.00 4.34 -0.00 -1.45 1.01 -1.26 -5.02 120.40 116.02 2kmg s VAL 8 Ca 0.10 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.74 2kmg s VAL 8 Cb 0.04 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2kmg s VAL 8 CO 0.07 -0.00 -0.02 0.42 0.00 0.00 0.00 175.10 175.57 2kmg s THR 9 N 2.20 0.16 0.88 3.92 -4.23 -1.26 -4.82 115.64 112.49 2kmg s THR 9 Ca 0.54 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 2kmg s THR 9 Cb -0.23 -0.15 0.17 0.00 1.34 0.00 0.00 72.50 73.62 2kmg s THR 9 CO 0.21 0.05 1.22 0.00 -0.54 0.00 0.00 174.62 175.57 2kmg s ALA 10 N 0.06 2.64 0.16 3.99 0.00 -1.26 -3.28 121.76 124.06 2kmg s ALA 10 Ca -0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 2kmg s ALA 10 Cb -0.02 -2.62 0.06 0.00 0.00 0.00 0.00 23.12 20.54 2kmg s ALA 10 CO -0.00 -2.10 0.56 0.45 0.00 0.00 0.00 175.76 174.67 2kmg s SER 11 N -4.81 -0.47 -0.26 0.00 0.15 -0.53 -4.89 113.70 102.90 2kmg s SER 11 Ca 0.71 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 57.07 2kmg s SER 11 Cb -0.05 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2kmg s SER 11 CO 0.50 -0.97 0.46 -0.22 1.20 0.00 0.00 173.24 174.21 2kmg s LEU 12 N -2.78 4.06 0.54 3.45 2.96 -1.26 -0.46 118.68 125.20 2kmg s LEU 12 Ca 0.02 0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 2kmg s LEU 12 Cb -0.01 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 2kmg s LEU 12 CO -0.11 -0.23 0.94 -0.69 -1.32 0.00 0.00 176.35 174.93 2kmg s VAL 13 N 2.12 4.73 0.66 1.68 1.01 -1.26 -4.99 120.40 124.36 2kmg s VAL 13 Ca 0.19 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.75 2kmg s VAL 13 Cb -0.16 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2kmg s VAL 13 CO 0.09 -0.92 0.96 0.00 0.00 0.00 0.00 175.10 175.22 2kmg n ALA 14 N -2.26 -0.02 0.24 5.51 0.00 -1.26 -4.75 120.51 117.97 2kmg n ALA 14 Ca 0.04 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2kmg n ALA 14 Cb 0.54 -2.11 0.51 0.00 0.00 0.00 0.00 19.45 18.39 2kmg n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kmg h GLU 15 N 0.14 0.00 -0.40 0.00 4.11 -1.99 0.40 114.58 116.83 2kmg h GLU 15 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2kmg h GLU 15 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2kmg h GLU 15 CO 0.49 0.12 0.00 0.00 0.07 0.00 0.00 179.01 179.69 2kmg n ALA 16 N -2.16 2.37 0.00 1.06 0.00 -1.26 -4.35 120.51 116.16 2kmg n ALA 16 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2kmg n ALA 16 Cb 0.40 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2kmg n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kmg n GLN 17 N 1.23 2.23 0.25 0.00 1.13 -1.06 -4.69 117.38 116.46 2kmg n GLN 17 Ca 0.17 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.37 2kmg n GLN 17 Cb 0.54 -0.78 0.52 0.00 0.11 0.00 0.00 30.24 30.63 2kmg n GLN 17 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2kmg h ARG 18 N 0.00 0.00 0.00 -1.09 0.11 -1.12 0.98 114.38 113.27 2kmg h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kmg h ARG 18 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kmg h ARG 18 CO 0.00 0.11 0.00 1.37 0.10 0.00 0.00 179.97 181.55 2kmg h LEU 19 N 0.00 0.00 -0.08 0.08 -0.00 -1.82 -2.81 115.31 110.68 2kmg h LEU 19 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kmg h LEU 19 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2kmg h LEU 19 CO 0.01 0.00 -0.19 -0.67 -0.00 0.00 0.00 178.44 177.59 2kmg n ASP 20 N -2.72 0.28 0.10 0.17 -0.08 -1.01 -4.56 116.55 108.74 2kmg n ASP 20 Ca 0.03 -0.64 -0.16 0.00 -1.51 0.00 0.00 54.79 52.51 2kmg n ASP 20 Cb 0.37 0.94 -0.14 0.00 2.34 0.00 0.00 41.12 44.63 2kmg n ASP 20 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2kmg h PHE 21 N 0.06 0.48 0.07 -0.67 3.57 -0.70 -2.62 116.94 117.13 2kmg h PHE 21 Ca 0.00 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 2kmg h PHE 21 Cb 0.11 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2kmg h PHE 21 CO 0.00 1.29 -0.03 1.25 -2.23 0.00 0.00 178.31 178.59 2kmg h LEU 22 N 0.07 -0.08 -0.65 0.59 7.12 -1.74 -0.71 115.31 119.92 2kmg h LEU 22 Ca -0.14 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2kmg h LEU 22 Cb 1.98 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 42.13 2kmg h LEU 22 CO 0.20 0.14 0.00 1.55 -0.13 0.00 0.00 178.44 180.20 2kmg h PRO 23 N -0.30 0.00 0.07 5.25 0.13 -1.72 0.32 132.00 135.76 2kmg h PRO 23 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.84 2kmg h PRO 23 Cb 0.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 2kmg h PRO 23 CO 0.02 0.00 -1.43 1.15 -0.23 0.00 0.00 178.00 177.50 2kmg h THR 24 N 0.00 1.24 0.00 1.56 2.02 -1.17 -0.36 112.91 116.20 2kmg h THR 24 Ca 0.00 -2.93 -0.28 0.00 0.77 0.00 0.00 66.41 63.97 2kmg h THR 24 Cb 0.47 2.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.56 2kmg h THR 24 CO 0.00 0.80 -2.28 -1.22 0.37 0.00 0.00 175.52 173.20 2kmg n TYR 25 N -3.37 0.00 -0.13 3.16 4.02 -0.30 -4.61 117.16 115.93 2kmg n TYR 25 Ca -0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.53 2kmg n TYR 25 Cb 1.02 -0.87 -0.10 0.00 -0.02 0.00 0.00 39.34 39.37 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2kmg n PHE 26 N -2.62 0.00 0.00 -0.72 7.35 0.11 -5.09 117.46 116.49 2kmg n PHE 26 Ca -0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.43 2kmg n PHE 26 Cb 1.01 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.88 2kmg n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kmg n GLY 27 N 1.76 4.83 0.31 7.13 0.00 -0.49 -4.74 105.19 113.99 2kmg n GLY 27 Ca -0.49 -0.84 0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 0.04 1.61 0.13 -1.45 0.02 132.00 132.35 2kmg h PRO 28 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 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 -2.34 -2.13 -0.23 0.00 0.00 178.00 173.30 2kmg n ARG 29 N -2.92 0.68 -0.00 0.86 0.00 -1.26 -4.45 116.66 109.57 2kmg n ARG 29 Ca -0.03 0.19 -0.06 0.00 -0.00 0.00 0.00 57.85 57.95 2kmg n ARG 29 Cb 0.08 -1.57 0.14 0.00 0.00 0.00 0.00 32.46 31.11 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 -0.01 0.55 -0.50 6.15 3.38 -1.71 -3.25 115.31 119.92 2kmg h LEU 30 Ca -0.54 -0.22 0.21 0.00 0.09 0.00 0.00 57.88 57.42 2kmg h LEU 30 Cb 1.93 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 42.43 2kmg h LEU 30 CO -0.05 0.85 0.26 1.15 0.09 0.00 0.00 178.44 180.74 2kmg n MET 31 N -4.07 -0.03 -0.10 1.13 0.00 -0.06 0.18 117.12 114.18 2kmg n MET 31 Ca -0.01 0.70 -0.11 0.00 0.00 0.00 0.00 57.70 58.28 2kmg n MET 31 Cb 0.47 -1.25 -0.14 0.00 0.00 0.00 0.00 33.22 32.30 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 -4.16 0.87 0.04 3.17 0.00 -1.24 -3.15 117.12 112.65 2kmg n MET 32 Ca 0.19 0.01 0.11 0.00 0.00 0.00 0.00 57.70 58.01 2kmg n MET 32 Cb 0.64 -1.48 0.45 0.00 0.00 0.00 0.00 33.22 32.82 2kmg n MET 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kmg n ARG 33 N -2.78 0.08 -0.07 3.17 5.12 0.33 -2.67 116.66 119.85 2kmg n ARG 33 Ca -0.33 0.21 -0.12 0.00 -1.93 0.00 0.00 57.85 55.69 2kmg n ARG 33 Cb 1.09 -1.63 -0.06 0.00 -1.16 0.00 0.00 32.46 30.70 2kmg n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kmg n GLY 34 N 0.62 -0.20 0.35 -0.13 0.00 0.49 -4.07 105.19 102.25 2kmg n GLY 34 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2kmg n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kmg h GLU 35 N -0.19 0.73 0.00 1.61 4.11 -1.63 0.21 114.58 119.42 2kmg h GLU 35 Ca -0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2kmg h GLU 35 Cb 1.41 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kmg h GLU 35 CO -0.11 0.48 0.00 0.00 0.07 0.00 0.00 179.01 179.45 2kmg h ALA 36 N 1.61 1.00 0.19 1.06 0.00 -1.75 -3.18 119.26 118.18 2kmg h ALA 36 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.93 2kmg h ALA 36 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kmg h ALA 36 CO -0.10 0.00 -1.36 -0.07 0.00 0.00 0.00 179.25 177.72 2kmg h LEU 37 N 0.00 0.62 -0.65 0.00 3.38 -0.81 -2.44 115.31 115.41 2kmg h LEU 37 Ca 0.00 -0.92 -0.11 0.00 0.09 0.00 0.00 57.88 56.94 2kmg h LEU 37 Cb 0.82 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2kmg h LEU 37 CO 0.00 1.63 -0.11 -0.37 0.09 0.00 0.00 178.44 179.68 2kmg h VAL 38 N -0.08 1.27 0.00 1.22 -1.51 -1.17 -2.69 116.25 113.29 2kmg h VAL 38 Ca -0.26 -1.24 -0.09 0.00 -1.23 0.00 0.00 66.70 63.88 2kmg h VAL 38 Cb 1.95 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 2kmg h VAL 38 CO 0.18 0.43 -0.44 0.10 -1.23 0.00 0.00 177.57 176.62 2kmg h TYR 39 N 0.84 0.00 -0.55 5.19 -0.00 -1.69 -3.06 116.97 117.70 2kmg h TYR 39 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.83 2kmg h TYR 39 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.35 2kmg h TYR 39 CO 0.04 0.44 0.20 0.00 -0.00 0.00 0.00 178.16 178.84 2kmg h ALA 40 N 1.56 1.32 0.10 0.10 0.00 -1.10 -1.14 119.26 120.11 2kmg h ALA 40 Ca -0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 2kmg h ALA 40 Cb 1.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kmg h ALA 40 CO 0.06 0.50 -1.19 -1.49 0.00 0.00 0.00 179.25 177.13 2kmg h TRP 41 N 0.79 0.39 -0.32 0.00 4.06 -1.54 -3.25 115.95 116.08 2kmg h TRP 41 Ca 0.19 -0.28 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 2kmg h TRP 41 Cb 0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2kmg h TRP 41 CO 0.01 1.22 0.02 1.98 -3.56 0.00 0.00 178.44 178.11 2kmg h MET 42 N 0.06 0.54 0.00 0.49 4.05 -1.37 -2.23 114.93 116.47 2kmg h MET 42 Ca -0.11 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 2kmg h MET 42 Cb 1.93 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.67 2kmg h MET 42 CO 0.19 0.66 -0.08 0.07 0.23 0.00 0.00 176.91 177.98 2kmg h ARG 43 N 0.35 0.00 0.03 0.39 0.11 -1.33 -2.86 114.38 111.07 2kmg h ARG 43 Ca 0.09 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.10 2kmg h ARG 43 Cb 0.40 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.49 2kmg h ARG 43 CO 0.01 0.08 -0.32 0.00 0.10 0.00 0.00 179.97 179.84 2kmg h ARG 44 N 0.00 0.16 -0.83 0.08 3.08 -1.51 -3.28 114.38 112.08 2kmg h ARG 44 Ca -0.00 -0.21 0.24 0.00 0.07 0.00 0.00 59.98 60.08 2kmg h ARG 44 Cb 0.28 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2kmg h ARG 44 CO 0.01 1.02 0.78 -0.07 -1.07 0.00 0.00 179.97 180.64 2kmg h LEU 45 N -0.61 0.00 -7.68 3.04 3.38 -1.17 -3.37 115.31 108.90 2kmg h LEU 45 Ca -0.05 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.45 2kmg h LEU 45 Cb 1.16 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.55 2kmg h LEU 45 CO 0.06 0.00 -0.79 0.00 0.09 0.00 0.00 178.44 177.80 2kmg h GLU 47 N 7.81 0.00 -1.54 0.00 4.11 -1.77 -2.62 114.58 120.57 2kmg h GLU 47 Ca -0.29 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.46 2kmg h GLU 47 Cb 1.14 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.06 2kmg h GLU 47 CO 0.39 0.14 0.37 0.54 0.07 0.00 0.00 179.01 180.52 2kmg n ARG 48 N -3.65 3.01 -3.82 1.06 5.12 -1.26 -4.91 116.66 112.22 2kmg n ARG 48 Ca -0.02 -3.80 -0.35 0.00 -1.93 0.00 0.00 57.85 51.76 2kmg n ARG 48 Cb 0.26 -2.27 -0.12 0.00 -1.16 0.00 0.00 32.46 29.18 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2kmg s TYR 49 N -3.84 3.52 -0.03 -1.55 6.14 -0.99 -4.95 117.35 115.65 2kmg s TYR 49 Ca 0.53 -2.68 -0.25 0.00 0.64 0.00 0.00 57.07 55.32 2kmg s TYR 49 Cb 0.44 -3.13 -0.20 0.00 0.42 0.00 0.00 41.96 39.49 2kmg s TYR 49 CO -0.23 -0.91 1.19 -0.91 0.64 0.00 0.00 175.55 175.33 2kmg h ASN 50 N 7.52 0.10 -0.59 4.32 -0.26 -1.90 -3.44 115.58 121.33 2kmg h ASN 50 Ca -0.08 -0.59 0.00 0.00 -0.56 0.00 0.00 56.30 55.07 2kmg h ASN 50 Cb 1.00 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.23 2kmg h ASN 50 CO 0.68 0.67 0.00 0.61 -1.06 0.00 0.00 177.43 178.33 2kmg n GLY 51 N 0.50 -1.14 3.90 2.83 0.00 -1.26 -5.04 105.19 104.99 2kmg n GLY 51 Ca -0.08 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.63 2kmg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmg n ALA 52 N -0.15 -3.65 -3.00 4.61 0.00 -1.26 -4.98 120.51 112.09 2kmg n ALA 52 Ca 0.00 -0.75 -0.44 0.00 0.00 0.00 0.00 53.44 52.25 2kmg n ALA 52 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2kmg n ALA 52 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kmg s TYR 53 N -2.03 3.00 -1.30 0.00 2.02 -1.26 -4.71 117.35 113.06 2kmg s TYR 53 Ca 0.30 -1.05 -0.18 0.00 -0.37 0.00 0.00 57.07 55.78 2kmg s TYR 53 Cb -0.00 -4.16 0.03 0.00 -0.40 0.00 0.00 41.96 37.43 2kmg s TYR 53 CO -0.01 -1.43 1.88 0.91 -1.57 0.00 0.00 175.55 175.32 2kmg n TRP 54 N 6.62 4.06 -1.49 2.71 8.01 -1.25 -0.54 117.44 135.56 2kmg n TRP 54 Ca 0.04 -2.66 -0.48 0.00 -1.31 0.00 0.00 57.50 53.08 2kmg n TRP 54 Cb 0.46 -2.58 -0.03 0.00 -2.01 0.00 0.00 31.31 27.15 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 8.53 0.35 -2.99 -5.99 8.25 -0.07 -4.33 115.22 118.97 2kmg n HIS 55 Ca 0.49 0.86 -0.44 0.00 -0.26 0.00 0.00 57.72 58.37 2kmg n HIS 55 Cb 0.44 -2.10 -0.00 0.00 1.12 0.00 0.00 29.99 29.45 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 -0.84 3.53 0.55 4.41 2.02 -1.26 -1.94 117.35 123.82 2kmg s TYR 56 Ca 0.66 -2.08 -0.20 0.00 -0.37 0.00 0.00 57.07 55.08 2kmg s TYR 56 Cb -0.88 -4.26 -0.05 0.00 -0.40 0.00 0.00 41.96 36.37 2kmg s TYR 56 CO 0.57 -1.36 1.16 0.71 -1.57 0.00 0.00 175.55 175.05 2kmg s TYR 57 N 1.44 2.61 -0.18 2.71 2.02 0.45 -4.06 117.35 122.32 2kmg s TYR 57 Ca 0.40 1.53 0.01 0.00 -0.37 0.00 0.00 57.07 58.64 2kmg s TYR 57 Cb -0.04 -3.35 0.02 0.00 -0.40 0.00 0.00 41.96 38.19 2kmg s TYR 57 CO -0.02 -1.75 -0.19 0.00 -1.57 0.00 0.00 175.55 172.02 2kmg s ALA 58 N -1.70 2.29 0.25 3.71 0.00 0.39 -2.33 121.76 124.37 2kmg s ALA 58 Ca 0.73 -1.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 2kmg s ALA 58 Cb -0.26 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 2kmg s ALA 58 CO 0.29 -0.43 0.54 -0.51 0.00 0.00 0.00 175.76 175.66 2kmg s LEU 59 N 1.30 4.13 0.47 0.00 1.43 -1.26 -1.45 118.68 123.30 2kmg s LEU 59 Ca 0.04 0.83 0.24 0.00 -1.03 0.00 0.00 54.13 54.21 2kmg s LEU 59 Cb -0.14 -3.61 1.16 0.00 0.03 0.00 0.00 46.19 43.64 2kmg s LEU 59 CO -0.12 -0.11 1.95 0.77 0.23 0.00 0.00 176.35 179.07 2kmg h SER 60 N 2.25 0.00 -0.34 2.29 4.64 -1.93 -2.16 113.55 118.29 2kmg h SER 60 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2kmg h SER 60 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kmg h SER 60 CO 0.68 0.20 0.00 0.47 -0.87 0.00 0.00 176.83 177.31 2kmg n ASP 61 N -3.62 2.16 0.00 4.97 9.92 -1.26 -4.89 116.55 123.83 2kmg n ASP 61 Ca -0.01 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 2kmg n ASP 61 Cb 0.33 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmg n GLY 62 N 1.18 0.87 1.44 0.44 0.00 -0.81 -4.88 105.19 103.42 2kmg n GLY 62 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N -2.20 2.90 2.87 -0.02 0.00 -1.26 -4.68 105.19 102.79 2kmg n GLY 63 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 2kmg n GLY 63 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2kmg n PHE 64 N -0.00 -1.37 -4.39 1.61 -1.74 -1.26 -4.14 117.46 106.17 2kmg n PHE 64 Ca 0.20 0.63 -0.22 0.00 -0.56 0.00 0.00 57.45 57.51 2kmg n PHE 64 Cb 0.87 -1.58 -0.08 0.00 1.52 0.00 0.00 39.48 40.21 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2kmg s TYR 65 N -1.26 1.73 -0.03 2.97 1.13 -0.99 -4.88 117.35 116.03 2kmg s TYR 65 Ca 0.52 -1.47 0.04 0.00 -1.41 0.00 0.00 57.07 54.75 2kmg s TYR 65 Cb -0.63 -0.91 -0.00 0.00 -1.10 0.00 0.00 41.96 39.31 2kmg s TYR 65 CO 0.52 -0.59 -0.16 -1.64 -2.51 0.00 0.00 175.55 171.17 2kmg s MET 66 N -3.61 1.54 -0.07 -3.49 -1.94 -1.26 -0.41 119.30 110.06 2kmg s MET 66 Ca 0.33 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 2kmg s MET 66 Cb 0.03 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.51 2kmg s MET 66 CO 0.21 0.25 -0.04 0.00 -0.01 0.00 0.00 175.02 175.43 2kmg s ALA 67 N -0.04 0.86 0.88 3.03 0.00 -0.82 -4.41 121.76 121.27 2kmg s ALA 67 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 2kmg s ALA 67 Cb -0.10 -0.64 0.11 0.00 0.00 0.00 0.00 23.12 22.49 2kmg s ALA 67 CO 0.01 -0.24 1.06 -2.30 0.00 0.00 0.00 175.76 174.29 2kmg n PRO 68 N 4.59 -0.23 -3.46 0.00 -0.02 -1.22 -0.89 135.00 133.76 2kmg n PRO 68 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 2kmg n PRO 68 Cb 0.50 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2kmg n PRO 68 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kmg s ASP 69 N -2.37 6.56 -0.25 2.55 2.15 0.30 -4.44 116.67 121.16 2kmg s ASP 69 Ca 0.68 -3.29 -0.02 0.00 0.43 0.00 0.00 52.55 50.34 2kmg s ASP 69 Cb -0.25 -2.09 0.08 0.00 -0.30 0.00 0.00 42.92 40.36 2kmg s ASP 69 CO 0.57 -0.35 0.06 -0.76 -0.17 0.00 0.00 175.17 174.53 2kmg s LEU 70 N -0.75 1.52 0.59 -1.34 1.43 -1.26 -4.40 118.68 114.46 2kmg s LEU 70 Ca 0.25 -1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 2kmg s LEU 70 Cb -0.11 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2kmg s LEU 70 CO -0.09 -0.36 1.09 0.00 0.23 0.00 0.00 176.35 177.23 2kmg s ALA 71 N 1.79 2.66 0.00 4.21 0.00 -1.26 -3.89 121.76 125.26 2kmg s ALA 71 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2kmg s ALA 71 Cb -0.17 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2kmg s ALA 71 CO -0.17 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.11 2kmg n GLY 72 N -0.46 -0.16 3.10 0.00 0.00 -1.26 -4.91 105.19 101.49 2kmg n GLY 72 Ca 0.10 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 2kmg n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kmg s ARG 73 N 0.00 1.36 0.11 1.61 1.70 -1.26 -4.56 118.95 117.91 2kmg s ARG 73 Ca 0.00 -0.51 0.06 0.00 -0.47 0.00 0.00 55.73 54.81 2kmg s ARG 73 Cb 0.00 -1.25 -0.04 0.00 -0.57 0.00 0.00 34.95 33.10 2kmg s ARG 73 CO 0.00 0.24 -0.15 -0.51 -1.08 0.00 0.00 175.30 173.81 2kmg s LEU 74 N -0.07 2.37 -0.58 -1.89 1.02 -1.24 -4.99 118.68 113.30 2kmg s LEU 74 Ca 0.00 -0.76 -0.21 0.00 0.02 0.00 0.00 54.13 53.18 2kmg s LEU 74 Cb -0.09 -0.57 0.07 0.00 0.02 0.00 0.00 46.19 45.62 2kmg s LEU 74 CO 0.01 -0.11 0.81 -1.83 0.02 0.00 0.00 176.35 175.24 2kmg s GLU 75 N -2.42 3.14 -0.33 1.70 4.04 -1.26 -0.59 118.70 122.98 2kmg s GLU 75 Ca 0.07 -0.86 -0.06 0.00 0.04 0.00 0.00 54.97 54.15 2kmg s GLU 75 Cb -0.06 -4.17 0.03 0.00 0.02 0.00 0.00 34.13 29.95 2kmg s GLU 75 CO 0.03 -1.53 0.09 0.42 -1.84 0.00 0.00 175.26 172.43 2kmg s ILE 76 N 3.33 3.73 -0.14 1.83 -1.09 -1.21 -4.77 121.20 122.88 2kmg s ILE 76 Ca 0.19 -1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 57.29 2kmg s ILE 76 Cb -0.18 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 2kmg s ILE 76 CO 0.11 -0.12 0.77 -1.61 -1.23 0.00 0.00 174.94 172.86 2kmg s GLU 77 N 1.40 4.33 -0.59 2.79 2.02 0.99 -2.89 118.70 126.76 2kmg s GLU 77 Ca -0.01 0.93 -0.16 0.00 0.02 0.00 0.00 54.97 55.75 2kmg s GLU 77 Cb -0.19 -3.53 0.14 0.00 0.10 0.00 0.00 34.13 30.65 2kmg s GLU 77 CO 0.02 -0.19 0.55 0.08 0.02 0.00 0.00 175.26 175.74 2kmg s VAL 78 N 1.69 5.26 0.13 2.63 1.01 -0.50 -4.14 120.40 126.47 2kmg s VAL 78 Ca 0.37 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 2kmg s VAL 78 Cb -0.17 -4.36 -0.15 0.00 0.00 0.00 0.00 36.38 31.70 2kmg s VAL 78 CO 0.14 -0.90 1.34 0.78 0.00 0.00 0.00 175.10 176.46 2kmg h ASN 79 N 8.73 0.75 -0.23 3.32 2.35 -1.89 0.59 115.58 129.19 2kmg h ASN 79 Ca -0.24 -0.51 0.07 0.00 -0.55 0.00 0.00 56.30 55.07 2kmg h ASN 79 Cb 1.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2kmg h ASN 79 CO 1.00 1.30 0.82 1.23 -1.65 0.00 0.00 177.43 180.13 2kmg h GLY 80 N 0.85 0.00 0.00 2.83 0.00 -1.91 -0.54 103.07 104.30 2kmg h GLY 80 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2kmg h GLY 80 CO 0.15 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.85 2kmg n ASN 81 N -2.85 0.00 -0.38 0.19 6.94 -1.20 -5.00 115.26 112.95 2kmg n ASN 81 Ca 0.05 -1.00 -0.05 0.00 -0.02 0.00 0.00 54.58 53.56 2kmg n ASN 81 Cb 0.91 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.31 2kmg n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kmg n GLY 82 N 0.00 0.62 3.52 4.83 0.00 0.16 -4.93 105.19 109.40 2kmg n GLY 82 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.73 2.57 -0.45 1.61 5.36 0.11 -4.85 117.98 120.59 2kmg s PHE 83 Ca 0.00 -0.63 -0.27 0.00 -0.96 0.00 0.00 56.93 55.07 2kmg s PHE 83 Cb 0.00 -4.54 0.03 0.00 -0.34 0.00 0.00 43.02 38.16 2kmg s PHE 83 CO 0.00 -1.86 1.04 0.50 -1.46 0.00 0.00 175.22 173.43 2kmg s ARG 84 N 4.71 3.69 -0.26 10.12 3.52 -1.26 -1.41 118.95 138.06 2kmg s ARG 84 Ca 0.36 0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 56.24 2kmg s ARG 84 Cb -0.06 -3.89 0.07 0.00 -1.56 0.00 0.00 34.95 29.51 2kmg s ARG 84 CO 0.01 -1.25 0.65 0.20 -0.81 0.00 0.00 175.30 174.10 2kmg s GLY 85 N 2.28 -0.55 0.24 8.12 0.00 -1.14 -4.96 107.32 111.32 2kmg s GLY 85 Ca 0.43 2.11 -0.30 0.00 0.00 0.00 0.00 44.72 46.96 2kmg s GLY 85 CO 0.28 2.02 1.12 -0.54 0.00 0.00 0.00 173.10 175.97 2kmg s GLU 86 N 1.12 4.60 0.02 2.90 2.02 -1.26 -3.28 118.70 124.82 2kmg s GLU 86 Ca -0.06 1.80 -0.25 0.00 0.02 0.00 0.00 54.97 56.47 2kmg s GLU 86 Cb -0.05 -3.22 0.06 0.00 0.10 0.00 0.00 34.13 31.02 2kmg s GLU 86 CO -0.11 0.13 0.58 -1.17 0.02 0.00 0.00 175.26 174.71 2kmg s LEU 87 N -1.00 -0.30 0.63 1.80 2.96 0.24 -4.88 118.68 118.14 2kmg s LEU 87 Ca 0.47 0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 54.58 2kmg s LEU 87 Cb -0.31 2.28 -0.02 0.00 0.50 0.00 0.00 46.19 48.64 2kmg s LEU 87 CO 0.39 -0.69 1.11 -0.94 -1.32 0.00 0.00 176.35 174.90 2kmg s SER 88 N -1.71 5.29 0.15 3.68 1.04 -1.26 -3.60 113.70 117.29 2kmg s SER 88 Ca -0.07 2.02 0.10 0.00 0.48 0.00 0.00 55.95 58.48 2kmg s SER 88 Cb -0.01 -2.56 0.54 0.00 0.10 0.00 0.00 66.02 64.10 2kmg s SER 88 CO 0.02 -1.51 1.30 0.00 0.98 0.00 0.00 173.24 174.03 2kmg n ALA 89 N -2.15 0.99 -0.06 5.32 0.00 -1.25 -0.30 120.51 123.06 2kmg n ALA 89 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 2kmg n ALA 89 Cb 0.52 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 2kmg n ALA 89 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kmg h ASP 90 N 0.00 0.00 0.81 0.00 1.82 -1.86 -1.66 116.42 115.53 2kmg h ASP 90 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2kmg h ASP 90 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2kmg h ASP 90 CO 0.00 0.62 0.00 0.00 -1.61 0.00 0.00 179.24 178.25 2kmg n ALA 91 N -2.94 2.01 -0.06 -0.78 0.00 -0.99 -3.08 120.51 114.67 2kmg n ALA 91 Ca -0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 2kmg n ALA 91 Cb 0.11 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 2kmg n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 92 N -1.54 1.23 0.33 0.00 0.00 0.59 -4.03 120.51 117.08 2kmg n ALA 92 Ca 0.05 -0.88 0.21 0.00 0.00 0.00 0.00 53.44 52.82 2kmg n ALA 92 Cb 0.27 -0.45 1.10 0.00 0.00 0.00 0.00 19.45 20.36 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 2.09 0.00 1.14 0.00 0.00 -1.22 0.65 103.07 105.72 2kmg h GLY 93 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2kmg h GLY 93 CO 0.02 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.33 2kmg h ILE 94 N 0.00 1.26 0.00 2.60 1.08 -1.70 -2.17 117.51 118.59 2kmg h ILE 94 Ca 0.00 -1.15 -0.17 0.00 -0.39 0.00 0.00 64.86 63.14 2kmg h ILE 94 Cb 0.20 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2kmg h ILE 94 CO -0.00 0.42 -0.83 0.58 -0.69 0.00 0.00 178.15 177.63 2kmg h VAL 95 N 0.94 1.47 -0.15 1.67 2.07 -1.10 -2.72 116.25 118.44 2kmg h VAL 95 Ca 0.17 -2.97 -0.03 0.00 0.82 0.00 0.00 66.70 64.69 2kmg h VAL 95 Cb 0.56 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2kmg h VAL 95 CO 0.03 0.81 -0.04 0.00 0.02 0.00 0.00 177.57 178.39 2kmg h ALA 96 N 1.17 0.20 -0.15 1.67 0.00 -1.16 -2.35 119.26 118.63 2kmg h ALA 96 Ca -0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2kmg h ALA 96 Cb 1.59 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.33 2kmg h ALA 96 CO 0.11 -0.04 -0.54 0.00 0.00 0.00 0.00 179.25 178.78 2kmg h THR 97 N -0.03 1.33 -0.20 0.00 1.03 -1.50 -3.21 112.91 110.33 2kmg h THR 97 Ca 0.04 -1.80 0.05 0.00 -0.01 0.00 0.00 66.41 64.69 2kmg h THR 97 Cb 0.48 2.02 -0.05 0.00 -1.07 0.00 0.00 68.15 69.53 2kmg h THR 97 CO 0.02 0.55 -0.09 -0.07 -0.01 0.00 0.00 175.52 175.92 2kmg h LEU 98 N 0.30 -0.31 -2.11 0.00 3.38 -1.53 -0.43 115.31 114.60 2kmg h LEU 98 Ca -0.02 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2kmg h LEU 98 Cb 1.16 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2kmg h LEU 98 CO 0.11 -0.12 0.26 -0.26 0.09 0.00 0.00 178.44 178.52 2kmg h PHE 99 N -0.07 0.00 -0.10 1.13 -1.00 -1.49 0.58 116.94 115.99 2kmg h PHE 99 Ca 0.11 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.69 2kmg h PHE 99 Cb 0.23 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2kmg h PHE 99 CO -0.26 0.00 -0.74 0.00 -1.61 0.00 0.00 178.31 175.71 2kmg h ALA 100 N 1.74 0.51 -0.36 2.45 0.00 -1.09 -3.10 119.26 119.41 2kmg h ALA 100 Ca 0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2kmg h ALA 100 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kmg h ALA 100 CO -0.00 0.74 0.12 -0.07 0.00 0.00 0.00 179.25 180.03 2kmg h LEU 101 N 0.36 0.53 -1.33 0.00 3.38 -0.32 -0.77 115.31 117.15 2kmg h LEU 101 Ca -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2kmg h LEU 101 Cb 1.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2kmg h LEU 101 CO 0.14 0.59 0.17 1.23 0.09 0.00 0.00 178.44 180.66 2kmg h GLY 102 N 0.44 0.68 0.53 0.83 0.00 -1.50 -0.92 103.07 103.12 2kmg h GLY 102 Ca 0.12 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 2kmg h GLY 102 CO -0.00 0.31 -0.68 -1.61 0.00 0.00 0.00 176.54 174.56 2kmg h GLN 103 N 0.63 0.23 -0.35 4.80 4.15 -1.45 -3.05 115.11 120.08 2kmg h GLN 103 Ca 0.15 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 2kmg h GLN 103 Cb 0.13 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2kmg h GLN 103 CO -0.01 1.19 0.15 1.25 -1.93 0.00 0.00 178.83 179.47 2kmg h LEU 104 N -0.51 0.43 -0.62 -2.39 5.85 -1.08 -0.96 115.31 116.03 2kmg h LEU 104 Ca -0.12 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 2kmg h LEU 104 Cb 1.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2kmg h LEU 104 CO 0.11 0.39 -0.56 0.00 -0.34 0.00 0.00 178.44 178.04 2kmg h ALA 105 N 1.68 0.80 -0.00 1.25 0.00 -1.26 -3.13 119.26 118.60 2kmg h ALA 105 Ca 0.12 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 2kmg h ALA 105 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kmg h ALA 105 CO -0.01 0.69 -0.84 0.00 0.00 0.00 0.00 179.25 179.09 2kmg h ALA 106 N 1.10 0.57 -0.01 0.00 0.00 -1.25 -1.97 119.26 117.71 2kmg h ALA 106 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2kmg h ALA 106 Cb 1.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kmg h ALA 106 CO 0.10 0.91 0.04 0.93 0.00 0.00 0.00 179.25 181.23 2kmg h GLU 107 N 0.10 0.00 0.00 0.00 5.08 -1.14 -1.79 114.58 116.82 2kmg h GLU 107 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2kmg h GLU 107 Cb 1.46 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.62 2kmg h GLU 107 CO 0.13 0.00 -0.48 0.44 -1.00 0.00 0.00 179.01 178.10 2kmg n ILE 108 N -3.33 1.06 0.23 3.13 -5.35 -1.17 -4.82 119.36 109.11 2kmg n ILE 108 Ca -0.03 -1.63 0.17 0.00 -0.27 0.00 0.00 62.75 61.00 2kmg n ILE 108 Cb 0.11 0.23 0.79 0.00 -1.74 0.00 0.00 39.64 39.03 2kmg n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmg h ALA 109 N 0.46 1.67 -0.11 -1.28 0.00 -0.52 0.20 119.26 119.68 2kmg h ALA 109 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2kmg h ALA 109 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2kmg h ALA 109 CO 0.02 -0.46 0.02 -0.40 0.00 0.00 0.00 179.25 178.44 2kmg n ASP 110 N -3.27 2.05 -3.89 0.00 5.68 -1.26 -4.83 116.55 111.03 2kmg n ASP 110 Ca 0.02 -2.17 -0.13 0.00 -0.50 0.00 0.00 54.79 52.00 2kmg n ASP 110 Cb 0.47 -0.54 -0.08 0.00 -1.14 0.00 0.00 41.12 39.83 2kmg n ASP 110 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2kmg s THR 111 N -1.12 0.00 -0.30 2.12 2.01 0.71 -5.05 115.64 114.01 2kmg s THR 111 Ca 0.09 -1.87 0.21 0.00 0.31 0.00 0.00 61.69 60.44 2kmg s THR 111 Cb 0.07 -2.47 0.14 0.00 0.01 0.00 0.00 72.50 70.25 2kmg s THR 111 CO 0.02 0.00 1.31 -2.24 -0.69 0.00 0.00 174.62 173.02 2kmg h ASP 112 N 2.41 0.00 0.30 3.53 3.04 -1.88 -3.24 116.42 120.58 2kmg h ASP 112 Ca -0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2kmg h ASP 112 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2kmg h ASP 112 CO 0.45 0.10 0.00 0.00 -2.04 0.00 0.00 179.24 177.75 2kmg n ALA 113 N -2.17 2.13 1.21 4.15 0.00 -1.26 -2.37 120.51 122.20 2kmg n ALA 113 Ca 0.01 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2kmg n ALA 113 Cb 0.58 -1.34 0.44 0.00 0.00 0.00 0.00 19.45 19.13 2kmg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 114 N -1.22 3.03 0.57 0.00 0.00 -1.22 -3.58 120.51 118.08 2kmg n ALA 114 Ca 0.11 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.29 2kmg n ALA 114 Cb 0.14 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.03 0.73 -0.06 0.00 8.00 -1.00 -4.29 116.55 118.90 2kmg n ASP 115 Ca 0.11 -0.74 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 2kmg n ASP 115 Cb 0.32 1.06 -0.12 0.00 -0.02 0.00 0.00 41.12 42.36 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 1.81 -0.00 0.00 2.24 0.00 -1.65 -3.25 119.26 118.41 2kmg h ALA 116 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kmg h ALA 116 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kmg h ALA 116 CO 0.00 -0.04 0.00 1.37 0.00 0.00 0.00 179.25 180.58 2kmg h LEU 117 N -0.93 0.00 -1.52 0.00 -0.00 -1.81 -2.17 115.31 108.88 2kmg h LEU 117 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2kmg h LEU 117 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 2kmg h LEU 117 CO 0.00 0.00 0.07 0.40 -0.00 0.00 0.00 178.44 178.91 2kmg h ILE 118 N 0.00 1.13 -0.46 0.15 1.08 -1.74 -2.53 117.51 115.14 2kmg h ILE 118 Ca 0.00 -0.45 0.07 0.00 -0.39 0.00 0.00 64.86 64.09 2kmg h ILE 118 Cb 0.31 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 34.85 2kmg h ILE 118 CO 0.00 0.16 0.10 0.44 -0.69 0.00 0.00 178.15 178.16 2kmg h ASP 119 N 0.38 0.02 -0.90 1.72 3.32 -1.49 -1.05 116.42 118.43 2kmg h ASP 119 Ca 0.09 0.08 0.15 0.00 0.02 0.00 0.00 57.03 57.37 2kmg h ASP 119 Cb 0.15 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 2kmg h ASP 119 CO -0.00 0.04 0.58 0.03 -1.72 0.00 0.00 179.24 178.17 2kmg h ARG 120 N 0.24 0.67 0.65 3.56 -0.00 -1.62 -0.82 114.38 117.05 2kmg h ARG 120 Ca 0.23 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.63 2kmg h ARG 120 Cb 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 29.97 30.11 2kmg h ARG 120 CO -0.29 0.44 -0.31 -0.92 0.00 0.00 0.00 179.97 178.89 2kmg h TYR 121 N 0.69 -0.81 -0.57 3.04 5.03 -1.24 -0.31 116.97 122.79 2kmg h TYR 121 Ca 0.45 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.80 2kmg h TYR 121 Cb 0.74 0.27 -0.05 0.00 1.55 0.00 0.00 36.73 39.24 2kmg h TYR 121 CO -0.00 -0.47 0.29 0.45 -1.32 0.00 0.00 178.16 177.11 2kmg h HIS 122 N -1.00 0.53 0.68 -3.82 3.86 -1.14 0.46 115.15 114.72 2kmg h HIS 122 Ca -0.09 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 2kmg h HIS 122 Cb 0.71 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 29.03 2kmg h HIS 122 CO -0.01 0.24 -0.33 0.74 0.86 0.00 0.00 177.93 179.44 2kmg h PHE 123 N 0.55 -0.85 0.15 2.45 0.04 -1.14 -2.53 116.94 115.61 2kmg h PHE 123 Ca 0.26 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.02 2kmg h PHE 123 Cb 0.18 0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.58 2kmg h PHE 123 CO -0.10 -0.52 -0.28 1.25 -0.60 0.00 0.00 178.31 178.06 2kmg h LEU 124 N -0.95 -0.79 -0.97 1.54 5.85 -0.88 -1.95 115.31 117.16 2kmg h LEU 124 Ca -0.09 0.09 0.31 0.00 0.84 0.00 0.00 57.88 59.03 2kmg h LEU 124 Cb 0.71 0.29 -0.15 0.00 0.37 0.00 0.00 40.66 41.88 2kmg h LEU 124 CO 0.15 -0.38 0.45 -0.09 -0.34 0.00 0.00 178.44 178.24 2kmg h ARG 125 N -0.51 0.23 -0.56 1.25 2.43 -0.91 0.52 114.38 116.83 2kmg h ARG 125 Ca 0.02 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2kmg h ARG 125 Cb 0.53 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2kmg h ARG 125 CO -0.14 0.15 0.24 0.78 -1.51 0.00 0.00 179.97 179.49 2kmg h GLY 126 N 0.24 0.86 2.00 2.80 0.00 -0.90 -2.12 103.07 105.95 2kmg h GLY 126 Ca 0.70 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 2kmg h GLY 126 CO -0.66 0.40 -0.42 -2.75 0.00 0.00 0.00 176.54 173.11 2kmg h PHE 127 N 0.80 0.00 0.00 5.60 3.57 0.19 -2.63 116.94 124.48 2kmg h PHE 127 Ca 0.19 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2kmg h PHE 127 Cb 0.13 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2kmg h PHE 127 CO 0.01 0.42 -0.03 0.00 -2.23 0.00 0.00 178.31 176.48 2kmg h ALA 128 N 1.58 1.19 0.00 2.41 0.00 -0.76 -0.91 119.26 122.77 2kmg h ALA 128 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2kmg h ALA 128 Cb 0.85 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2kmg h ALA 128 CO 0.06 0.04 -0.35 0.00 0.00 0.00 0.00 179.25 178.99 2kmg h ALA 129 N 1.97 0.89 0.00 0.00 0.00 -1.48 -2.94 119.26 117.70 2kmg h ALA 129 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kmg h ALA 129 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kmg h ALA 129 CO 0.00 0.43 -0.05 0.41 0.00 0.00 0.00 179.25 180.05 2kmg n GLY 130 N 0.59 -1.56 3.79 0.00 0.00 -0.35 -4.78 105.19 102.88 2kmg n GLY 130 Ca 0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.04 3.46 0.46 1.61 3.76 -1.11 -4.94 115.29 115.49 2kmg s HIS 131 Ca 0.12 1.70 0.36 0.00 -0.15 0.00 0.00 55.06 57.09 2kmg s HIS 131 Cb 0.16 -2.97 1.88 0.00 1.11 0.00 0.00 32.58 32.76 2kmg s HIS 131 CO 0.57 -0.13 2.19 -1.00 -0.85 0.00 0.00 174.74 175.52 2kmg h PRO 132 N 2.63 0.00 -0.52 8.40 0.13 -1.88 -0.71 132.00 140.05 2kmg h PRO 132 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kmg h PRO 132 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kmg h PRO 132 CO 0.63 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 2kmg n GLU 133 N -3.30 3.88 -0.33 0.86 4.71 -1.26 -4.65 120.64 120.55 2kmg n GLU 133 Ca -0.02 -2.91 0.10 0.00 -0.01 0.00 0.00 57.16 54.33 2kmg n GLU 133 Cb 0.17 -1.96 0.22 0.00 -1.01 0.00 0.00 31.44 28.87 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 3.39 0.95 -0.58 0.62 0.00 -1.24 0.36 119.26 122.77 2kmg h ALA 134 Ca 0.00 0.34 0.11 0.00 0.00 0.00 0.00 54.91 55.35 2kmg h ALA 134 Cb 1.57 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.89 2kmg h ALA 134 CO 0.30 -0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.16 2kmg h ALA 135 N 1.94 0.67 -0.24 0.00 0.00 -1.84 -0.08 119.26 119.70 2kmg h ALA 135 Ca 0.53 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.41 2kmg h ALA 135 Cb 1.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kmg h ALA 135 CO -0.90 -0.32 -0.50 0.00 0.00 0.00 0.00 179.25 177.53 2kmg h ALA 136 N 1.47 0.68 0.13 0.00 0.00 -0.72 -2.76 119.26 118.07 2kmg h ALA 136 Ca 0.30 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kmg h ALA 136 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kmg h ALA 136 CO -0.40 0.68 -0.06 0.82 0.00 0.00 0.00 179.25 180.28 2kmg h ILE 137 N 0.52 1.01 -0.36 0.00 2.04 -0.35 -0.34 117.51 120.02 2kmg h ILE 137 Ca 0.02 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 2kmg h ILE 137 Cb 1.05 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2kmg h ILE 137 CO 0.10 0.16 -0.15 0.10 0.00 0.00 0.00 178.15 178.36 2kmg h TYR 138 N -0.51 0.72 -0.05 1.37 -0.00 -1.13 -2.25 116.97 115.11 2kmg h TYR 138 Ca -0.02 -0.13 -0.15 0.00 -0.00 0.00 0.00 58.73 58.43 2kmg h TYR 138 Cb 0.40 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 36.94 2kmg h TYR 138 CO 0.03 0.77 -0.64 0.07 -0.00 0.00 0.00 178.16 178.39 2kmg h ARG 139 N 0.59 0.21 -0.05 0.10 0.11 -1.52 0.12 114.38 113.95 2kmg h ARG 139 Ca 0.10 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 2kmg h ARG 139 Cb 0.59 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2kmg h ARG 139 CO 0.04 0.78 -0.31 0.00 0.10 0.00 0.00 179.97 180.58 2kmg h ALA 140 N 1.18 1.40 0.00 0.08 0.00 -0.66 -2.55 119.26 118.71 2kmg h ALA 140 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kmg h ALA 140 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kmg h ALA 140 CO 0.10 0.44 -1.00 0.44 0.00 0.00 0.00 179.25 179.23 2kmg n ILE 141 N -4.14 0.13 1.63 0.00 -5.35 -0.88 -4.69 119.36 106.06 2kmg n ILE 141 Ca -0.02 -0.20 0.15 0.00 -0.27 0.00 0.00 62.75 62.41 2kmg n ILE 141 Cb 0.38 0.29 0.63 0.00 -1.74 0.00 0.00 39.64 39.20 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12