#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 -0.17 -0.02 7.83 4.22 -1.26 -5.03 114.94 120.51 2kmg s ASN 2 Ca 0.00 0.30 0.13 0.00 -2.14 0.00 0.00 52.86 51.15 2kmg s ASN 2 Cb 0.00 0.37 -0.20 0.00 1.28 0.00 0.00 41.25 42.70 2kmg s ASN 2 CO 0.00 -0.12 0.29 0.41 -2.04 0.00 0.00 177.10 175.64 2kmg n THR 3 N 2.70 0.00 -1.91 0.54 -1.04 -1.26 -4.97 114.28 108.34 2kmg n THR 3 Ca -0.14 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 61.15 2kmg n THR 3 Cb 0.58 0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 69.30 2kmg n THR 3 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kmg s GLU 4 N -2.87 4.17 0.23 -2.82 0.41 -1.26 -4.99 118.70 111.58 2kmg s GLU 4 Ca -0.04 2.31 0.05 0.00 -0.41 0.00 0.00 54.97 56.88 2kmg s GLU 4 Cb 0.08 -4.02 -0.03 0.00 -1.78 0.00 0.00 34.13 28.38 2kmg s GLU 4 CO 0.54 -0.87 0.34 -1.83 -0.49 0.00 0.00 175.26 172.94 2kmg s GLU 5 N 4.10 3.39 -0.09 1.61 -1.05 -1.26 -4.77 118.70 120.63 2kmg s GLU 5 Ca 0.78 -0.78 -0.03 0.00 -0.15 0.00 0.00 54.97 54.79 2kmg s GLU 5 Cb -0.36 -2.86 0.04 0.00 -0.44 0.00 0.00 34.13 30.51 2kmg s GLU 5 CO 0.33 0.43 0.07 1.14 0.95 0.00 0.00 175.26 178.18 2kmg s GLN 6 N -3.91 -0.02 0.00 -4.83 -2.07 -1.26 -4.81 119.66 102.75 2kmg s GLN 6 Ca 0.34 0.21 0.07 0.00 -1.82 0.00 0.00 55.36 54.16 2kmg s GLN 6 Cb -0.09 -0.99 0.44 0.00 -1.09 0.00 0.00 33.01 31.28 2kmg s GLN 6 CO 0.29 -0.45 0.85 -2.30 -1.32 0.00 0.00 175.29 172.35 2kmg n PRO 7 N 5.29 0.37 -4.86 9.60 -0.02 -1.26 -4.60 135.00 139.52 2kmg n PRO 7 Ca -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.18 2kmg n PRO 7 Cb 0.50 -1.31 -0.16 0.00 -0.02 0.00 0.00 33.50 32.51 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 1.42 -0.07 -1.45 1.01 -1.26 -5.00 120.40 113.05 2kmg s VAL 8 Ca 0.11 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 2kmg s VAL 8 Cb 0.05 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2kmg s VAL 8 CO 0.08 0.40 0.36 0.42 0.00 0.00 0.00 175.10 176.37 2kmg s THR 9 N -0.33 0.03 0.56 3.92 -4.23 -1.26 -4.78 115.64 109.55 2kmg s THR 9 Ca 0.05 -0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2kmg s THR 9 Cb -0.08 -0.61 0.11 0.00 1.34 0.00 0.00 72.50 73.27 2kmg s THR 9 CO -0.00 -0.14 0.77 0.00 -0.54 0.00 0.00 174.62 174.71 2kmg n ALA 10 N 1.89 0.14 -3.58 3.99 0.00 -1.26 -0.67 120.51 121.01 2kmg n ALA 10 Ca -0.18 -1.51 -0.12 0.00 0.00 0.00 0.00 53.44 51.63 2kmg n ALA 10 Cb 0.57 0.25 -0.06 0.00 0.00 0.00 0.00 19.45 20.20 2kmg n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kmg s SER 11 N -4.14 -0.46 -0.05 0.00 0.15 -1.09 -4.88 113.70 103.22 2kmg s SER 11 Ca 0.51 0.60 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 2kmg s SER 11 Cb -0.03 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2kmg s SER 11 CO 0.34 -0.36 1.43 -0.22 1.20 0.00 0.00 173.24 175.63 2kmg s LEU 12 N -0.81 4.29 0.41 3.45 2.96 -1.26 -0.53 118.68 127.19 2kmg s LEU 12 Ca -0.03 2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 55.81 2kmg s LEU 12 Cb -0.01 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.06 2kmg s LEU 12 CO 0.02 -0.77 0.79 -0.69 -1.32 0.00 0.00 176.35 174.38 2kmg s VAL 13 N 2.99 4.74 0.75 1.68 1.01 -1.17 -4.93 120.40 125.48 2kmg s VAL 13 Ca 0.64 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 2kmg s VAL 13 Cb -0.30 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2kmg s VAL 13 CO 0.25 -0.50 0.54 0.00 0.00 0.00 0.00 175.10 175.39 2kmg n ALA 14 N -1.22 -1.56 0.15 5.51 0.00 -1.26 -4.74 120.51 117.40 2kmg n ALA 14 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.21 2kmg n ALA 14 Cb 0.54 -1.86 0.14 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.51 0.00 -0.01 0.00 4.11 -1.99 0.13 114.58 116.32 2kmg h GLU 15 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kmg h GLU 15 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2kmg h GLU 15 CO 0.42 0.55 -0.36 0.00 0.07 0.00 0.00 179.01 179.68 2kmg n ALA 16 N -2.29 3.30 -0.01 1.06 0.00 -1.26 -4.07 120.51 117.24 2kmg n ALA 16 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.01 2kmg n ALA 16 Cb 0.67 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.60 0.47 0.20 0.00 1.13 -1.17 -4.50 117.38 112.91 2kmg n GLN 17 Ca 0.11 -0.06 0.14 0.00 -1.94 0.00 0.00 57.00 55.25 2kmg n GLN 17 Cb 0.38 -1.16 0.57 0.00 0.11 0.00 0.00 30.24 30.13 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 -1.11 -1.21 114.38 111.08 2kmg h ARG 18 Ca -0.02 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 2kmg h ARG 18 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2kmg h ARG 18 CO 0.00 0.00 -0.25 1.37 0.10 0.00 0.00 179.97 181.20 2kmg h LEU 19 N 0.00 0.00 -0.26 0.08 8.10 -1.79 -3.04 115.31 118.40 2kmg h LEU 19 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kmg h LEU 19 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 2kmg h LEU 19 CO 0.00 0.25 -0.35 -0.67 -4.11 0.00 0.00 178.44 173.55 2kmg n ASP 20 N -3.42 0.69 0.22 0.17 2.03 -0.93 -4.51 116.55 110.80 2kmg n ASP 20 Ca 0.00 -0.85 0.07 0.00 0.52 0.00 0.00 54.79 54.53 2kmg n ASP 20 Cb 0.44 0.82 0.57 0.00 -0.72 0.00 0.00 41.12 42.23 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 0.37 0.07 0.41 -0.67 3.04 -1.11 -1.15 116.94 117.90 2kmg h PHE 21 Ca 0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2kmg h PHE 21 Cb 0.26 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.75 2kmg h PHE 21 CO 0.00 0.09 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.11 2kmg h LEU 22 N 0.07 -0.47 0.00 0.59 -0.00 -1.79 -0.59 115.31 113.11 2kmg h LEU 22 Ca 0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2kmg h LEU 22 Cb 0.08 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2kmg h LEU 22 CO 0.00 -0.05 0.00 -0.81 -0.00 0.00 0.00 178.44 177.58 2kmg n PRO 23 N -5.17 0.13 -0.11 1.13 -0.04 -1.12 0.15 135.00 129.97 2kmg n PRO 23 Ca -0.09 0.20 -0.25 0.00 -0.04 0.00 0.00 63.50 63.32 2kmg n PRO 23 Cb 0.28 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 2kmg n PRO 23 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kmg n THR 24 N -1.30 1.55 -0.11 0.52 -1.04 -0.45 -2.70 114.28 110.74 2kmg n THR 24 Ca 0.05 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 2kmg n THR 24 Cb 0.08 -1.90 -0.14 0.00 -1.82 0.00 0.00 70.33 66.55 2kmg n THR 24 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2kmg n TYR 25 N -4.19 0.00 0.02 -1.42 4.02 -0.24 -4.58 117.16 110.77 2kmg n TYR 25 Ca -0.43 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.24 2kmg n TYR 25 Cb 0.82 -0.99 -0.14 0.00 -0.02 0.00 0.00 39.34 39.01 2kmg n TYR 25 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2kmg h PHE 26 N 0.00 0.53 0.00 -0.72 3.57 -0.43 -3.51 116.94 116.38 2kmg h PHE 26 Ca -0.56 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 60.55 2kmg h PHE 26 Cb 2.06 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.78 2kmg h PHE 26 CO 0.01 1.75 0.00 0.41 -2.23 0.00 0.00 178.31 178.25 2kmg n GLY 27 N 1.94 4.26 0.34 2.40 0.00 0.54 -4.54 105.19 110.13 2kmg n GLY 27 Ca -0.30 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 0.01 1.61 0.13 -1.76 0.11 132.00 132.10 2kmg h PRO 28 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 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 -1.86 -2.13 -0.23 0.00 0.00 178.00 173.78 2kmg n ARG 29 N -3.23 0.59 0.27 0.86 3.00 -1.26 -4.38 116.66 112.51 2kmg n ARG 29 Ca -0.00 0.41 0.14 0.00 -0.00 0.00 0.00 57.85 58.41 2kmg n ARG 29 Cb 0.35 -1.64 0.75 0.00 0.00 0.00 0.00 32.46 31.93 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 -0.87 0.00 -1.02 6.15 4.07 -1.66 -3.17 115.31 118.81 2kmg h LEU 30 Ca -0.50 0.00 0.40 0.00 0.08 0.00 0.00 57.88 57.86 2kmg h LEU 30 Cb 1.51 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 43.09 2kmg h LEU 30 CO -0.26 0.10 0.58 1.15 -1.08 0.00 0.00 178.44 178.93 2kmg n MET 31 N -3.46 -0.05 -0.09 1.13 0.00 0.34 0.21 117.12 115.21 2kmg n MET 31 Ca -0.01 1.25 -0.14 0.00 0.00 0.00 0.00 57.70 58.80 2kmg n MET 31 Cb 0.25 -2.31 -0.08 0.00 0.00 0.00 0.00 33.22 31.08 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 -4.97 0.45 0.15 3.17 0.00 -1.21 -3.50 117.12 111.21 2kmg n MET 32 Ca 0.36 0.12 0.12 0.00 0.00 0.00 0.00 57.70 58.29 2kmg n MET 32 Cb 1.27 -1.34 0.56 0.00 0.00 0.00 0.00 33.22 33.70 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 -0.09 0.00 0.00 3.17 2.47 -1.34 -2.52 114.38 116.07 2kmg h ARG 33 Ca -0.42 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.00 2kmg h ARG 33 Cb 1.60 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.87 2kmg h ARG 33 CO -0.09 0.00 -2.10 0.41 0.56 0.00 0.00 179.97 178.75 2kmg n GLY 34 N -0.58 -0.29 0.36 0.04 0.00 0.58 -3.83 105.19 101.46 2kmg n GLY 34 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.31 0.58 0.02 1.61 4.11 -1.57 0.45 114.58 119.47 2kmg h GLU 35 Ca -0.46 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 58.73 2kmg h GLU 35 Cb 1.57 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2kmg h GLU 35 CO -0.17 0.38 -0.93 0.00 0.07 0.00 0.00 179.01 178.36 2kmg h ALA 36 N 1.64 0.46 -0.49 1.06 0.00 -1.68 -3.20 119.26 117.05 2kmg h ALA 36 Ca 0.34 -0.78 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2kmg h ALA 36 Cb 0.51 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2kmg h ALA 36 CO -0.12 1.01 -0.14 1.25 0.00 0.00 0.00 179.25 181.25 2kmg h LEU 37 N 0.06 0.94 -0.62 0.00 5.85 -1.08 -0.77 115.31 119.70 2kmg h LEU 37 Ca -0.04 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.23 2kmg h LEU 37 Cb 1.60 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2kmg h LEU 37 CO 0.14 1.08 -0.36 -0.37 -0.34 0.00 0.00 178.44 178.59 2kmg h VAL 38 N 0.83 1.29 0.00 1.05 -1.51 -1.24 -2.92 116.25 113.75 2kmg h VAL 38 Ca 0.13 -1.51 -0.10 0.00 -1.23 0.00 0.00 66.70 63.98 2kmg h VAL 38 Cb 0.69 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2kmg h VAL 38 CO 0.05 0.49 -0.48 0.10 -1.23 0.00 0.00 177.57 176.50 2kmg h TYR 39 N 0.57 0.00 -0.68 5.19 -0.00 -1.53 -3.22 116.97 117.30 2kmg h TYR 39 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.74 2kmg h TYR 39 Cb 0.88 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.58 2kmg h TYR 39 CO 0.04 0.48 0.25 0.00 -0.00 0.00 0.00 178.16 178.93 2kmg h ALA 40 N 1.52 0.89 -0.19 0.10 0.00 -0.95 -2.40 119.26 118.22 2kmg h ALA 40 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 40 Cb 1.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kmg h ALA 40 CO 0.06 0.53 -0.24 -1.49 0.00 0.00 0.00 179.25 178.11 2kmg h TRP 41 N 0.98 0.39 -0.07 0.00 4.06 -1.56 -3.10 115.95 116.65 2kmg h TRP 41 Ca 0.22 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 61.10 2kmg h TRP 41 Cb 0.25 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.31 2kmg h TRP 41 CO 0.02 0.58 0.04 1.98 -3.56 0.00 0.00 178.44 177.49 2kmg h MET 42 N 0.32 0.10 0.00 0.49 4.05 -1.45 -2.05 114.93 116.39 2kmg h MET 42 Ca 0.05 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2kmg h MET 42 Cb 0.61 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2kmg h MET 42 CO 0.04 0.18 0.00 2.89 0.23 0.00 0.00 176.91 180.25 2kmg n ARG 43 N -4.98 0.16 0.18 0.39 -4.01 -1.04 -1.06 116.66 106.30 2kmg n ARG 43 Ca -0.06 0.51 0.10 0.00 -1.04 0.00 0.00 57.85 57.36 2kmg n ARG 43 Cb 0.08 -1.88 0.10 0.00 -3.04 0.00 0.00 32.46 27.73 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 -1.30 -3.26 114.38 115.79 2kmg h ARG 44 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2kmg h ARG 44 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2kmg h ARG 44 CO 0.00 0.11 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.19 2kmg h LEU 45 N 0.00 0.00 -7.61 3.04 3.38 -0.89 -3.44 115.31 109.79 2kmg h LEU 45 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2kmg h LEU 45 Cb 1.10 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.49 2kmg h LEU 45 CO 0.01 0.50 -0.77 0.00 0.09 0.00 0.00 178.44 178.28 2kmg h GLU 47 N 7.70 0.00 -1.23 0.00 9.09 -1.87 -2.91 114.58 125.36 2kmg h GLU 47 Ca -0.30 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.48 2kmg h GLU 47 Cb 1.14 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 27.86 2kmg h GLU 47 CO 0.38 0.00 -0.17 0.54 0.05 0.00 0.00 179.01 179.81 2kmg n ARG 48 N -3.04 3.25 -3.69 1.06 5.12 -1.26 -4.94 116.66 113.15 2kmg n ARG 48 Ca 0.01 -4.01 -0.38 0.00 -1.93 0.00 0.00 57.85 51.54 2kmg n ARG 48 Cb 0.29 -2.27 -0.10 0.00 -1.16 0.00 0.00 32.46 29.22 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 -3.70 3.51 -0.00 -1.55 6.14 -1.10 -4.97 117.35 115.67 2kmg s TYR 49 Ca 0.53 -2.36 -0.04 0.00 0.64 0.00 0.00 57.07 55.85 2kmg s TYR 49 Cb 0.43 -3.31 -0.02 0.00 0.42 0.00 0.00 41.96 39.48 2kmg s TYR 49 CO -0.11 -0.94 0.64 -0.91 0.64 0.00 0.00 175.55 174.87 2kmg h ASN 50 N 7.85 -0.11 0.00 4.32 -0.26 -1.92 -3.44 115.58 122.02 2kmg h ASN 50 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 2kmg h ASN 50 Cb 1.03 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 2kmg h ASN 50 CO 0.74 -0.05 0.00 0.61 -1.06 0.00 0.00 177.43 177.68 2kmg n GLY 51 N 0.16 -1.22 3.80 2.83 0.00 -1.26 -5.02 105.19 104.47 2kmg n GLY 51 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.31 -2.12 -0.77 4.61 0.00 -1.26 -4.97 121.76 115.95 2kmg s ALA 52 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 2kmg s ALA 52 Cb 0.00 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.83 2kmg s ALA 52 CO 0.00 -1.09 1.12 0.71 0.00 0.00 0.00 175.76 176.50 2kmg s TYR 53 N -2.35 2.67 -1.14 0.00 2.02 -1.26 -4.70 117.35 112.59 2kmg s TYR 53 Ca 0.20 -0.66 -0.21 0.00 -0.37 0.00 0.00 57.07 56.03 2kmg s TYR 53 Cb 0.01 -4.41 -0.07 0.00 -0.40 0.00 0.00 41.96 37.10 2kmg s TYR 53 CO -0.00 -1.74 1.91 0.91 -1.57 0.00 0.00 175.55 175.06 2kmg n TRP 54 N 7.95 2.97 -1.69 2.71 8.01 -1.26 -1.41 117.44 134.72 2kmg n TRP 54 Ca 0.07 -1.88 -0.43 0.00 -1.31 0.00 0.00 57.50 53.95 2kmg n TRP 54 Cb 0.47 -2.44 -0.02 0.00 -2.01 0.00 0.00 31.31 27.32 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 11.41 2.34 -3.09 -5.99 8.25 0.96 -4.55 115.22 124.55 2kmg n HIS 55 Ca 0.47 0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 57.97 2kmg n HIS 55 Cb 0.45 -2.47 -0.05 0.00 1.12 0.00 0.00 29.99 29.03 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 -0.39 3.70 0.05 4.41 2.02 -1.26 -1.89 117.35 123.99 2kmg s TYR 56 Ca 0.63 1.33 0.08 0.00 -0.37 0.00 0.00 57.07 58.74 2kmg s TYR 56 Cb -0.59 -2.72 -0.03 0.00 -0.40 0.00 0.00 41.96 38.22 2kmg s TYR 56 CO 0.54 0.30 -0.23 0.71 -1.57 0.00 0.00 175.55 175.30 2kmg s TYR 57 N -0.08 2.01 -0.51 2.71 1.51 -0.97 -3.02 117.35 119.01 2kmg s TYR 57 Ca 0.35 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 2kmg s TYR 57 Cb -0.19 -1.19 0.12 0.00 -0.11 0.00 0.00 41.96 40.58 2kmg s TYR 57 CO 0.20 0.11 0.44 0.00 -1.11 0.00 0.00 175.55 175.19 2kmg s ALA 58 N -0.81 3.57 0.81 3.71 0.00 0.31 -3.32 121.76 126.03 2kmg s ALA 58 Ca 0.09 -2.45 -0.13 0.00 0.00 0.00 0.00 51.96 49.47 2kmg s ALA 58 Cb -0.09 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.98 2kmg s ALA 58 CO 0.02 -1.93 1.08 1.28 0.00 0.00 0.00 175.76 176.21 2kmg n LEU 59 N 5.16 3.75 0.30 0.00 7.99 -1.26 -2.68 117.00 130.26 2kmg n LEU 59 Ca -0.12 0.57 0.18 0.00 -0.01 0.00 0.00 56.01 56.62 2kmg n LEU 59 Cb 0.41 -1.46 0.93 0.00 -0.11 0.00 0.00 43.42 43.19 2kmg n LEU 59 CO 0.50 -1.97 1.08 -1.28 -1.51 0.00 0.00 177.39 174.21 2kmg h SER 60 N -0.91 0.00 0.00 -1.43 0.87 -1.25 -3.07 113.55 107.76 2kmg h SER 60 Ca -0.46 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.76 2kmg h SER 60 Cb 1.30 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.20 2kmg h SER 60 CO 0.45 0.04 -2.25 0.47 -0.53 0.00 0.00 176.83 175.00 2kmg n ASP 61 N -3.36 2.15 0.00 6.23 8.00 -1.26 -4.96 116.55 123.34 2kmg n ASP 61 Ca -0.02 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2kmg n ASP 61 Cb 0.17 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 2.23 -0.27 0.37 0.44 0.00 -1.16 -5.03 105.19 101.77 2kmg n GLY 62 Ca -0.40 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 1.33 -4.46 -0.02 0.00 -1.84 -3.46 103.07 94.63 2kmg h GLY 63 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2kmg h GLY 63 CO 0.00 0.30 -0.92 0.33 0.00 0.00 0.00 176.54 176.25 2kmg n PHE 64 N -4.49 -4.59 -4.72 5.60 7.35 -1.26 -4.76 117.46 110.59 2kmg n PHE 64 Ca 0.14 2.74 -0.26 0.00 -0.76 0.00 0.00 57.45 59.30 2kmg n PHE 64 Cb 0.20 -3.71 -0.14 0.00 0.35 0.00 0.00 39.48 36.18 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 -0.55 1.86 -0.16 -5.13 1.13 -1.21 -4.98 117.35 108.31 2kmg s TYR 65 Ca 0.00 -0.37 -0.06 0.00 -1.41 0.00 0.00 57.07 55.22 2kmg s TYR 65 Cb 0.00 -1.12 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 2kmg s TYR 65 CO 0.00 0.07 0.04 -1.64 -2.51 0.00 0.00 175.55 171.52 2kmg s MET 66 N -1.07 3.78 -0.08 -3.49 -1.94 -1.26 -2.28 119.30 112.95 2kmg s MET 66 Ca 0.08 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.72 2kmg s MET 66 Cb -0.09 -3.12 0.01 0.00 2.01 0.00 0.00 34.83 33.65 2kmg s MET 66 CO 0.01 0.36 -0.13 0.00 -0.01 0.00 0.00 175.02 175.25 2kmg s ALA 67 N 0.11 1.41 0.85 3.03 0.00 -0.79 -4.30 121.76 122.06 2kmg s ALA 67 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2kmg s ALA 67 Cb -0.12 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.42 2kmg s ALA 67 CO 0.01 0.02 1.09 -1.25 0.00 0.00 0.00 175.76 175.63 2kmg s PRO 68 N 0.85 1.65 -0.81 0.00 0.04 -1.25 -0.03 135.00 135.46 2kmg s PRO 68 Ca -0.11 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.81 2kmg s PRO 68 Cb -0.15 -1.84 0.21 0.00 0.04 0.00 0.00 34.50 32.76 2kmg s PRO 68 CO 0.01 -2.02 0.73 0.34 0.04 0.00 0.00 177.00 176.11 2kmg s ASP 69 N -3.37 6.61 -0.08 6.66 2.15 -0.50 -4.50 116.67 123.63 2kmg s ASP 69 Ca 0.63 -2.70 -0.14 0.00 0.43 0.00 0.00 52.55 50.76 2kmg s ASP 69 Cb -0.18 -2.17 0.03 0.00 -0.30 0.00 0.00 42.92 40.30 2kmg s ASP 69 CO 0.57 -0.55 0.36 -0.76 -0.17 0.00 0.00 175.17 174.61 2kmg s LEU 70 N 0.15 0.64 1.07 -1.34 1.43 -1.26 -4.41 118.68 114.95 2kmg s LEU 70 Ca 0.18 0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 53.53 2kmg s LEU 70 Cb -0.11 1.33 -0.02 0.00 0.03 0.00 0.00 46.19 47.41 2kmg s LEU 70 CO -0.08 -0.28 -0.67 0.00 0.23 0.00 0.00 176.35 175.55 2kmg n ALA 71 N 2.14 -4.83 -1.95 4.21 0.00 -1.26 -3.69 120.51 115.13 2kmg n ALA 71 Ca -0.17 -1.34 -0.24 0.00 0.00 0.00 0.00 53.44 51.69 2kmg n ALA 71 Cb 0.57 -1.19 0.08 0.00 0.00 0.00 0.00 19.45 18.91 2kmg n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kmg s GLY 72 N -1.48 1.75 -0.30 0.00 0.00 -1.26 -3.50 107.32 102.52 2kmg s GLY 72 Ca 0.47 -1.23 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 2kmg s GLY 72 CO 0.65 -0.79 0.14 0.54 0.00 0.00 0.00 173.10 173.64 2kmg n ARG 73 N -2.81 -2.90 -3.79 2.90 5.12 -1.25 -4.84 116.66 109.09 2kmg n ARG 73 Ca 0.10 2.41 -0.21 0.00 -1.93 0.00 0.00 57.85 58.22 2kmg n ARG 73 Cb 0.60 -4.87 -0.17 0.00 -1.16 0.00 0.00 32.46 26.85 2kmg n ARG 73 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kmg s LEU 74 N -1.79 0.60 -0.28 0.55 1.43 -0.45 -4.83 118.68 113.89 2kmg s LEU 74 Ca 0.06 -0.04 -0.33 0.00 -1.03 0.00 0.00 54.13 52.80 2kmg s LEU 74 Cb -0.02 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.77 2kmg s LEU 74 CO 0.70 -0.19 2.18 -0.62 0.23 0.00 0.00 176.35 178.66 2kmg n GLU 75 N 5.00 1.47 -3.73 1.70 4.71 -1.26 -0.81 120.64 127.73 2kmg n GLU 75 Ca -0.09 0.41 -0.26 0.00 -0.01 0.00 0.00 57.16 57.21 2kmg n GLU 75 Cb 0.50 -2.76 -0.17 0.00 -1.01 0.00 0.00 31.44 28.00 2kmg n GLU 75 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2kmg s ILE 76 N 7.48 0.39 -0.23 -3.67 -1.09 -1.24 -4.84 121.20 118.00 2kmg s ILE 76 Ca 1.05 -0.30 -0.27 0.00 -2.23 0.00 0.00 60.65 58.90 2kmg s ILE 76 Cb -0.65 -0.82 0.00 0.00 -1.58 0.00 0.00 42.46 39.41 2kmg s ILE 76 CO 0.44 -0.09 0.93 -1.83 -1.23 0.00 0.00 174.94 173.16 2kmg s GLU 77 N 1.93 4.23 -0.83 2.79 -1.05 0.17 -3.01 118.70 122.92 2kmg s GLU 77 Ca 0.01 1.14 -0.19 0.00 -0.15 0.00 0.00 54.97 55.78 2kmg s GLU 77 Cb -0.16 -3.64 0.12 0.00 -0.44 0.00 0.00 34.13 30.01 2kmg s GLU 77 CO -0.07 -0.56 1.04 0.08 0.95 0.00 0.00 175.26 176.70 2kmg s VAL 78 N 2.96 4.67 0.40 1.83 1.01 -0.72 -4.15 120.40 126.40 2kmg s VAL 78 Ca 0.39 -1.28 0.11 0.00 0.00 0.00 0.00 61.98 61.20 2kmg s VAL 78 Cb -0.15 -4.72 0.16 0.00 0.00 0.00 0.00 36.38 31.67 2kmg s VAL 78 CO 0.07 -1.45 1.93 -0.55 0.00 0.00 0.00 175.10 175.10 2kmg h ASN 79 N 9.00 0.17 -1.59 3.32 7.08 -1.86 0.49 115.58 132.18 2kmg h ASN 79 Ca 0.01 -0.03 0.49 0.00 -3.08 0.00 0.00 56.30 53.69 2kmg h ASN 79 Cb 1.04 -0.05 -0.10 0.00 -2.08 0.00 0.00 38.32 37.13 2kmg h ASN 79 CO 1.11 0.34 1.10 1.23 -2.08 0.00 0.00 177.43 179.13 2kmg h GLY 80 N 0.71 0.65 -0.58 9.14 0.00 -1.89 -2.75 103.07 108.35 2kmg h GLY 80 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2kmg h GLY 80 CO 0.02 -0.21 -0.13 1.16 0.00 0.00 0.00 176.54 177.38 2kmg n ASN 81 N -4.34 0.00 -0.69 0.19 0.23 -1.11 -4.95 115.26 104.59 2kmg n ASN 81 Ca 0.40 -1.27 -0.09 0.00 -0.53 0.00 0.00 54.58 53.09 2kmg n ASN 81 Cb 1.68 -0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 39.29 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 1.03 3.56 4.83 0.00 0.15 -4.92 105.19 109.84 2kmg n GLY 82 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.20 2.42 -0.56 1.61 5.36 -0.00 -4.83 117.98 119.78 2kmg s PHE 83 Ca 0.00 -0.65 -0.28 0.00 -0.96 0.00 0.00 56.93 55.04 2kmg s PHE 83 Cb 0.00 -4.58 0.02 0.00 -0.34 0.00 0.00 43.02 38.13 2kmg s PHE 83 CO 0.00 -1.87 1.30 0.50 -1.46 0.00 0.00 175.22 173.69 2kmg s ARG 84 N 5.28 3.44 -0.28 10.12 3.52 -1.26 -1.76 118.95 138.00 2kmg s ARG 84 Ca 0.52 0.39 -0.20 0.00 -0.13 0.00 0.00 55.73 56.31 2kmg s ARG 84 Cb -0.01 -4.06 0.11 0.00 -1.56 0.00 0.00 34.95 29.43 2kmg s ARG 84 CO -0.06 -1.77 0.85 0.20 -0.81 0.00 0.00 175.30 173.72 2kmg s GLY 85 N 3.62 -0.33 0.63 8.12 0.00 -1.16 -4.98 107.32 113.22 2kmg s GLY 85 Ca 0.48 2.62 -0.17 0.00 0.00 0.00 0.00 44.72 47.65 2kmg s GLY 85 CO 0.26 2.22 1.17 -1.83 0.00 0.00 0.00 173.10 174.92 2kmg s GLU 86 N 1.02 2.81 0.12 2.90 -1.05 -1.26 -3.69 118.70 119.54 2kmg s GLU 86 Ca -0.05 1.66 -0.25 0.00 -0.15 0.00 0.00 54.97 56.18 2kmg s GLU 86 Cb -0.05 -1.93 0.07 0.00 -0.44 0.00 0.00 34.13 31.79 2kmg s GLU 86 CO -0.12 -1.29 0.62 -1.17 0.95 0.00 0.00 175.26 174.24 2kmg s LEU 87 N -4.48 -0.59 0.63 1.83 2.96 0.01 -4.74 118.68 114.31 2kmg s LEU 87 Ca 0.73 0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.66 2kmg s LEU 87 Cb -0.26 2.59 -0.03 0.00 0.50 0.00 0.00 46.19 48.99 2kmg s LEU 87 CO 0.37 -0.90 1.04 -0.94 -1.32 0.00 0.00 176.35 174.60 2kmg s SER 88 N -2.45 5.94 0.59 3.68 1.04 -1.26 -1.35 113.70 119.89 2kmg s SER 88 Ca -0.01 1.56 0.29 0.00 0.48 0.00 0.00 55.95 58.27 2kmg s SER 88 Cb -0.01 -2.49 1.72 0.00 0.10 0.00 0.00 66.02 65.34 2kmg s SER 88 CO -0.09 -1.06 2.16 0.00 0.98 0.00 0.00 173.24 175.22 2kmg h ALA 89 N -0.19 1.70 0.25 5.32 0.00 -1.63 0.89 119.26 125.60 2kmg h ALA 89 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2kmg h ALA 89 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kmg h ALA 89 CO 0.60 -0.19 -0.12 0.22 0.00 0.00 0.00 179.25 179.75 2kmg h ASP 90 N 0.00 -0.28 0.65 0.00 3.58 -1.83 -1.25 116.42 117.29 2kmg h ASP 90 Ca 0.05 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kmg h ASP 90 Cb 0.32 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2kmg h ASP 90 CO -0.00 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.56 2kmg n ALA 91 N -2.71 1.66 0.02 -0.78 0.00 -1.07 -2.42 120.51 115.20 2kmg n ALA 91 Ca -0.05 0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 2kmg n ALA 91 Cb 0.18 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 2kmg n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg h ALA 92 N 2.34 0.45 0.00 0.00 0.00 -0.88 -3.32 119.26 117.85 2kmg h ALA 92 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 2kmg h ALA 92 Cb 0.33 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kmg h ALA 92 CO 0.00 1.31 0.00 0.78 0.00 0.00 0.00 179.25 181.34 2kmg h GLY 93 N 1.73 0.00 0.81 0.00 0.00 -0.87 -2.06 103.07 102.68 2kmg h GLY 93 Ca -0.35 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2kmg h GLY 93 CO 0.11 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.18 2kmg h ILE 94 N 0.00 1.35 0.00 2.60 1.08 -1.65 -2.60 117.51 118.30 2kmg h ILE 94 Ca 0.00 -1.47 -0.06 0.00 -0.39 0.00 0.00 64.86 62.94 2kmg h ILE 94 Cb 0.13 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 2kmg h ILE 94 CO 0.00 0.44 -0.31 0.58 -0.69 0.00 0.00 178.15 178.17 2kmg h VAL 95 N 0.09 0.68 -0.06 1.67 2.07 -1.55 -1.79 116.25 117.37 2kmg h VAL 95 Ca 0.02 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 2kmg h VAL 95 Cb 0.82 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2kmg h VAL 95 CO 0.06 0.30 -0.26 0.00 0.02 0.00 0.00 177.57 177.69 2kmg h ALA 96 N 1.69 0.11 -0.05 1.67 0.00 -1.39 -2.94 119.26 118.36 2kmg h ALA 96 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2kmg h ALA 96 Cb 0.91 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kmg h ALA 96 CO 0.04 0.12 -0.45 0.00 0.00 0.00 0.00 179.25 178.96 2kmg h THR 97 N -0.25 1.42 -0.44 0.00 1.03 -1.49 -3.17 112.91 110.02 2kmg h THR 97 Ca -0.02 -1.89 0.09 0.00 -0.01 0.00 0.00 66.41 64.58 2kmg h THR 97 Cb 0.92 2.43 -0.08 0.00 -1.07 0.00 0.00 68.15 70.35 2kmg h THR 97 CO 0.05 0.55 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.99 2kmg h LEU 98 N -0.11 -0.29 -1.51 0.00 3.38 -1.44 -0.52 115.31 114.82 2kmg h LEU 98 Ca -0.04 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2kmg h LEU 98 Cb 1.13 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2kmg h LEU 98 CO 0.09 -0.10 0.36 -0.26 0.09 0.00 0.00 178.44 178.62 2kmg h PHE 99 N 0.06 0.62 -0.69 1.13 -1.00 -1.60 -2.09 116.94 113.36 2kmg h PHE 99 Ca 0.22 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.95 2kmg h PHE 99 Cb 0.32 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 2kmg h PHE 99 CO -0.33 0.37 0.18 0.00 -1.61 0.00 0.00 178.31 176.92 2kmg h ALA 100 N 1.68 0.91 -0.66 2.45 0.00 -1.08 -2.70 119.26 119.86 2kmg h ALA 100 Ca 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kmg h ALA 100 Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2kmg h ALA 100 CO -0.05 0.62 0.42 -0.07 0.00 0.00 0.00 179.25 180.16 2kmg h LEU 101 N 1.03 0.70 -1.62 0.00 3.38 -0.74 -1.48 115.31 116.58 2kmg h LEU 101 Ca 0.22 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2kmg h LEU 101 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kmg h LEU 101 CO -0.00 0.49 -0.13 1.23 0.09 0.00 0.00 178.44 180.13 2kmg h GLY 102 N 0.83 0.00 0.46 0.83 0.00 -1.34 -2.96 103.07 100.89 2kmg h GLY 102 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.45 2kmg h GLY 102 CO -0.09 0.00 -0.62 -1.61 0.00 0.00 0.00 176.54 174.22 2kmg h GLN 103 N 0.00 0.20 -0.18 4.80 4.15 -1.01 -3.21 115.11 119.86 2kmg h GLN 103 Ca -0.00 -0.34 0.05 0.00 0.77 0.00 0.00 58.65 59.13 2kmg h GLN 103 Cb 0.49 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2kmg h GLN 103 CO 0.02 1.17 0.14 -0.07 -1.93 0.00 0.00 178.83 178.15 2kmg h LEU 104 N -0.57 0.00 -0.58 -2.39 3.38 -1.25 0.34 115.31 114.25 2kmg h LEU 104 Ca -0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2kmg h LEU 104 Cb 1.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2kmg h LEU 104 CO 0.09 0.00 -0.63 0.00 0.09 0.00 0.00 178.44 178.00 2kmg h ALA 105 N 1.90 0.82 -0.00 1.53 0.00 -1.60 -3.12 119.26 118.79 2kmg h ALA 105 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kmg h ALA 105 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kmg h ALA 105 CO -0.00 0.78 -0.77 0.00 0.00 0.00 0.00 179.25 179.26 2kmg n ALA 106 N -2.36 4.24 -0.06 0.00 0.00 -0.06 -4.39 120.51 117.88 2kmg n ALA 106 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 2kmg n ALA 106 Cb 0.67 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 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 0.51 -0.01 -6.37 0.00 4.81 -0.37 -3.44 114.58 109.71 2kmg h GLU 107 Ca 0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 2kmg h GLU 107 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kmg h GLU 107 CO 0.00 0.83 0.82 0.96 -0.73 0.00 0.00 179.01 180.90 2kmg s ILE 108 N -2.34 3.74 0.43 2.32 -4.36 -1.20 -4.90 121.20 114.90 2kmg s ILE 108 Ca -0.17 1.12 0.11 0.00 -0.26 0.00 0.00 60.65 61.45 2kmg s ILE 108 Cb -0.02 -3.72 0.29 0.00 1.25 0.00 0.00 42.46 40.25 2kmg s ILE 108 CO 0.61 -0.00 2.04 0.00 0.24 0.00 0.00 174.94 177.83 2kmg h ALA 109 N 7.80 1.85 -2.14 2.27 0.00 -1.91 -3.44 119.26 123.69 2kmg h ALA 109 Ca -0.38 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.04 2kmg h ALA 109 Cb 1.18 -0.12 0.21 0.00 0.00 0.00 0.00 17.79 19.06 2kmg h ALA 109 CO 0.90 0.09 -0.06 -0.25 0.00 0.00 0.00 179.25 179.93 2kmg n ASP 110 N -4.48 -1.09 -0.01 0.00 9.92 -1.26 -4.98 116.55 114.65 2kmg n ASP 110 Ca 0.05 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 2kmg n ASP 110 Cb 0.18 -1.31 -0.04 0.00 -0.64 0.00 0.00 41.12 39.31 2kmg n ASP 110 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2kmg n THR 111 N -4.59 0.18 0.11 -3.53 5.66 -1.26 -4.18 114.28 106.66 2kmg n THR 111 Ca 0.06 -0.17 -0.13 0.00 -3.05 0.00 0.00 64.05 60.76 2kmg n THR 111 Cb 0.54 -0.25 -0.08 0.00 -1.55 0.00 0.00 70.33 68.99 2kmg n THR 111 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2kmg h ASP 112 N 0.00 -0.18 1.13 1.09 3.58 -1.97 -2.86 116.42 117.20 2kmg h ASP 112 Ca -0.07 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2kmg h ASP 112 Cb 0.79 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2kmg h ASP 112 CO 0.00 -0.02 -0.21 0.00 -2.88 0.00 0.00 179.24 176.14 2kmg n ALA 113 N -2.25 2.57 1.01 -0.78 0.00 -1.26 -2.79 120.51 117.02 2kmg n ALA 113 Ca -0.09 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.34 2kmg n ALA 113 Cb 0.15 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.71 2.18 0.00 0.00 0.00 -1.09 -3.01 120.51 116.87 2kmg n ALA 114 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kmg n ALA 114 Cb 0.41 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2kmg n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmg n ASP 115 N -1.39 0.55 -0.07 0.00 2.03 -1.14 -4.65 116.55 111.88 2kmg n ASP 115 Ca 0.09 -0.34 -0.14 0.00 0.52 0.00 0.00 54.79 54.92 2kmg n ASP 115 Cb 0.24 0.79 -0.13 0.00 -0.72 0.00 0.00 41.12 41.30 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg h ALA 116 N 0.00 0.00 0.00 -1.67 0.00 -1.45 -3.22 119.26 112.92 2kmg h ALA 116 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kmg h ALA 116 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kmg h ALA 116 CO 0.00 0.01 0.00 1.47 0.00 0.00 0.00 179.25 180.73 2kmg n LEU 117 N -4.61 0.57 0.23 0.00 -0.00 -1.16 -0.69 117.00 111.34 2kmg n LEU 117 Ca -0.10 0.74 0.11 0.00 -0.00 0.00 0.00 56.01 56.76 2kmg n LEU 117 Cb 0.48 -0.78 0.53 0.00 -0.00 0.00 0.00 43.42 43.65 2kmg n LEU 117 CO 0.34 -0.87 0.85 0.40 -0.00 0.00 0.00 177.39 178.10 2kmg h ILE 118 N 0.00 0.50 -0.75 1.47 1.08 -1.82 -3.11 117.51 114.89 2kmg h ILE 118 Ca 0.00 -0.96 0.09 0.00 -0.39 0.00 0.00 64.86 63.60 2kmg h ILE 118 Cb 0.07 1.67 -0.07 0.00 -3.07 0.00 0.00 36.82 35.42 2kmg h ILE 118 CO 0.00 0.18 0.40 -0.78 -0.69 0.00 0.00 178.15 177.26 2kmg h ASP 119 N 0.00 0.56 0.72 1.72 3.58 -1.03 -1.23 116.42 120.73 2kmg h ASP 119 Ca -0.00 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 2kmg h ASP 119 Cb 0.65 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2kmg h ASP 119 CO 0.02 0.33 -0.56 0.08 -2.88 0.00 0.00 179.24 176.23 2kmg h ARG 120 N 0.69 0.00 -0.14 0.28 -0.00 -1.73 -3.19 114.38 110.29 2kmg h ARG 120 Ca 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.33 2kmg h ARG 120 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.30 2kmg h ARG 120 CO -0.24 0.56 0.07 -0.92 -0.00 0.00 0.00 179.97 179.44 2kmg h TYR 121 N 0.00 0.19 -0.48 4.08 5.03 -1.32 -0.70 116.97 123.77 2kmg h TYR 121 Ca -0.01 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.37 2kmg h TYR 121 Cb 1.07 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.27 2kmg h TYR 121 CO 0.00 0.22 0.32 0.45 -1.32 0.00 0.00 178.16 177.83 2kmg h HIS 122 N 0.11 0.37 0.22 -3.82 3.86 -1.44 0.39 115.15 114.83 2kmg h HIS 122 Ca 0.05 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2kmg h HIS 122 Cb 0.09 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.44 2kmg h HIS 122 CO -0.04 0.20 -0.10 0.74 0.86 0.00 0.00 177.93 179.59 2kmg h PHE 123 N 0.37 -0.27 0.03 2.45 0.04 -1.43 -3.09 116.94 115.04 2kmg h PHE 123 Ca 0.21 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.01 2kmg h PHE 123 Cb 0.37 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.56 2kmg h PHE 123 CO -0.00 0.12 -0.30 1.25 -0.60 0.00 0.00 178.31 178.78 2kmg h LEU 124 N -0.86 -0.89 -1.39 1.54 6.46 -0.75 -1.03 115.31 118.38 2kmg h LEU 124 Ca -0.03 0.11 0.36 0.00 -0.12 0.00 0.00 57.88 58.20 2kmg h LEU 124 Cb 0.51 0.36 -0.11 0.00 -0.73 0.00 0.00 40.66 40.68 2kmg h LEU 124 CO 0.05 -0.37 0.77 -0.09 -0.62 0.00 0.00 178.44 178.17 2kmg h ARG 125 N -0.47 0.21 -0.28 1.25 2.43 -1.04 0.54 114.38 117.02 2kmg h ARG 125 Ca 0.06 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2kmg h ARG 125 Cb 0.54 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2kmg h ARG 125 CO -0.24 0.14 -0.23 0.78 -1.51 0.00 0.00 179.97 178.91 2kmg h GLY 126 N 0.22 0.58 2.00 2.80 0.00 -1.10 -2.61 103.07 104.96 2kmg h GLY 126 Ca 0.72 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2kmg h GLY 126 CO -0.36 0.43 -0.07 -2.75 0.00 0.00 0.00 176.54 173.79 2kmg h PHE 127 N 0.48 0.00 -0.00 5.60 3.57 0.27 -0.90 116.94 125.96 2kmg h PHE 127 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kmg h PHE 127 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2kmg h PHE 127 CO 0.02 0.07 -0.04 0.00 -2.23 0.00 0.00 178.31 176.13 2kmg n ALA 128 N -2.19 2.52 -0.82 2.41 0.00 -0.99 -3.27 120.51 118.17 2kmg n ALA 128 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 2kmg n ALA 128 Cb 0.22 -1.45 0.26 0.00 0.00 0.00 0.00 19.45 18.48 2kmg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 129 N -1.33 4.50 -1.00 0.00 0.00 -0.34 -3.96 120.51 118.38 2kmg n ALA 129 Ca 0.11 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.43 2kmg n ALA 129 Cb 0.28 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2kmg n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kmg n GLY 130 N -0.22 1.00 3.85 0.00 0.00 -1.20 -4.70 105.19 103.91 2kmg n GLY 130 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 3.47 0.40 1.61 3.76 -1.25 -4.91 115.29 118.39 2kmg s HIS 131 Ca 0.00 1.44 0.39 0.00 -0.15 0.00 0.00 55.06 56.74 2kmg s HIS 131 Cb 0.00 -2.78 1.93 0.00 1.11 0.00 0.00 32.58 32.84 2kmg s HIS 131 CO 0.00 -0.40 2.19 -1.35 -0.85 0.00 0.00 174.74 174.33 2kmg h PRO 132 N 0.77 0.00 -0.22 8.40 0.11 -1.96 -1.38 132.00 137.72 2kmg h PRO 132 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kmg h PRO 132 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kmg h PRO 132 CO 0.62 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 2kmg n GLU 133 N -3.10 2.65 -0.29 1.05 4.71 -1.26 -4.74 120.64 119.66 2kmg n GLU 133 Ca -0.01 -2.76 0.05 0.00 -0.01 0.00 0.00 57.16 54.43 2kmg n GLU 133 Cb 0.18 -1.76 0.15 0.00 -1.01 0.00 0.00 31.44 29.00 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 1.50 0.73 -0.77 0.62 0.00 -1.44 0.14 119.26 120.03 2kmg h ALA 134 Ca 0.00 0.30 0.18 0.00 0.00 0.00 0.00 54.91 55.38 2kmg h ALA 134 Cb 1.34 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 2kmg h ALA 134 CO 0.18 -0.44 0.18 0.00 0.00 0.00 0.00 179.25 179.17 2kmg h ALA 135 N 1.81 1.02 0.02 0.00 0.00 -1.85 -0.09 119.26 120.17 2kmg h ALA 135 Ca 0.43 0.19 -0.22 0.00 0.00 0.00 0.00 54.91 55.31 2kmg h ALA 135 Cb 0.74 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kmg h ALA 135 CO -0.80 -0.37 -0.96 0.00 0.00 0.00 0.00 179.25 177.12 2kmg h ALA 136 N 1.66 0.39 0.18 0.00 0.00 -1.17 -3.15 119.26 117.16 2kmg h ALA 136 Ca 0.45 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kmg h ALA 136 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kmg h ALA 136 CO -0.55 0.90 -0.09 0.82 0.00 0.00 0.00 179.25 180.33 2kmg h ILE 137 N 0.15 0.93 -0.24 0.00 2.04 0.20 -0.25 117.51 120.35 2kmg h ILE 137 Ca -0.07 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 2kmg h ILE 137 Cb 1.61 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2kmg h ILE 137 CO 0.16 0.14 -0.13 0.10 0.00 0.00 0.00 178.15 178.42 2kmg h TYR 138 N -0.54 0.42 0.01 1.37 -0.00 -1.21 -2.26 116.97 114.76 2kmg h TYR 138 Ca -0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 58.73 58.45 2kmg h TYR 138 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 36.73 37.01 2kmg h TYR 138 CO 0.02 0.52 -0.89 0.07 -0.00 0.00 0.00 178.16 177.88 2kmg h ARG 139 N 0.37 0.09 -0.14 0.10 0.11 -1.55 0.37 114.38 113.74 2kmg h ARG 139 Ca 0.07 -0.11 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 2kmg h ARG 139 Cb 0.45 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2kmg h ARG 139 CO 0.03 0.92 -0.22 0.00 0.10 0.00 0.00 179.97 180.80 2kmg h ALA 140 N 1.04 1.38 0.00 0.08 0.00 -0.53 -2.59 119.26 118.64 2kmg h ALA 140 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kmg h ALA 140 Cb 1.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kmg h ALA 140 CO 0.13 0.43 -1.03 0.44 0.00 0.00 0.00 179.25 179.21 2kmg n ILE 141 N -4.19 0.03 0.00 0.00 -5.35 -0.90 -4.45 119.36 104.50 2kmg n ILE 141 Ca -0.01 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2kmg n ILE 141 Cb 0.33 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12