#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 0.68 0.00 6.12 5.03 -1.26 -3.81 115.26 122.02 2kmg n ASN 2 Ca 0.00 -0.47 0.12 0.00 0.87 0.00 0.00 54.58 55.10 2kmg n ASN 2 Cb 0.00 0.32 0.65 0.00 -1.02 0.00 0.00 39.78 39.73 2kmg n ASN 2 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2kmg n THR 3 N -1.32 0.17 -4.24 3.41 -2.24 -1.26 -4.81 114.28 103.99 2kmg n THR 3 Ca 0.07 0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.75 2kmg n THR 3 Cb 0.34 -0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 2kmg n THR 3 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kmg s GLU 4 N -2.42 1.27 -0.15 -0.78 -1.05 -1.25 -5.15 118.70 109.17 2kmg s GLU 4 Ca 0.27 -1.67 -0.02 0.00 -0.15 0.00 0.00 54.97 53.40 2kmg s GLU 4 Cb 0.17 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.96 2kmg s GLU 4 CO 0.35 -0.35 0.00 -2.00 0.95 0.00 0.00 175.26 174.21 2kmg s GLU 5 N -4.11 0.82 0.66 -4.83 2.12 -1.26 -4.93 118.70 107.18 2kmg s GLU 5 Ca 0.38 -0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.28 2kmg s GLU 5 Cb 0.07 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.76 2kmg s GLU 5 CO 0.12 -0.48 1.18 1.14 -0.54 0.00 0.00 175.26 176.69 2kmg s GLN 6 N 1.85 2.61 0.00 4.30 -2.07 -1.26 -5.01 119.66 120.08 2kmg s GLN 6 Ca 0.02 1.69 0.00 0.00 -1.82 0.00 0.00 55.36 55.25 2kmg s GLN 6 Cb -0.15 -1.90 0.00 0.00 -1.09 0.00 0.00 33.01 29.87 2kmg s GLN 6 CO -0.07 -1.45 0.26 -0.35 -1.32 0.00 0.00 175.29 172.35 2kmg n PRO 7 N -2.22 0.00 -1.65 9.60 -0.04 -1.26 -4.84 135.00 134.60 2kmg n PRO 7 Ca 0.13 0.20 -0.58 0.00 -0.04 0.00 0.00 63.50 63.21 2kmg n PRO 7 Cb 0.50 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 2kmg n PRO 7 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kmg n VAL 8 N -1.11 0.11 -3.91 0.52 0.31 -1.26 -4.97 118.33 108.01 2kmg n VAL 8 Ca 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 2kmg n VAL 8 Cb 0.00 -0.76 -0.14 0.00 -0.91 0.00 0.00 33.84 32.03 2kmg n VAL 8 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2kmg s THR 9 N 1.93 0.06 0.59 2.52 -4.23 -1.26 -4.84 115.64 110.41 2kmg s THR 9 Ca 0.94 -0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 61.34 2kmg s THR 9 Cb -1.15 -0.06 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 2kmg s THR 9 CO 0.62 0.01 0.92 0.00 -0.54 0.00 0.00 174.62 175.63 2kmg s ALA 10 N -0.02 3.23 0.06 3.99 0.00 -1.26 -2.57 121.76 125.19 2kmg s ALA 10 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 2kmg s ALA 10 Cb -0.00 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.41 2kmg s ALA 10 CO -0.00 -0.73 0.31 0.45 0.00 0.00 0.00 175.76 175.78 2kmg s SER 11 N -4.25 -0.12 0.08 0.00 0.15 -1.15 -4.94 113.70 103.48 2kmg s SER 11 Ca 0.53 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2kmg s SER 11 Cb -0.11 0.37 -0.06 0.00 -1.71 0.00 0.00 66.02 64.51 2kmg s SER 11 CO 0.47 -0.65 0.72 -0.22 1.20 0.00 0.00 173.24 174.77 2kmg s LEU 12 N -2.21 4.50 -0.13 3.45 2.96 -1.26 -0.20 118.68 125.79 2kmg s LEU 12 Ca -0.03 1.46 -0.10 0.00 -0.22 0.00 0.00 54.13 55.24 2kmg s LEU 12 Cb -0.00 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 2kmg s LEU 12 CO -0.05 0.12 0.19 -0.69 -1.32 0.00 0.00 176.35 174.61 2kmg s VAL 13 N -0.57 5.39 0.41 1.68 1.01 -1.10 -4.87 120.40 122.35 2kmg s VAL 13 Ca 0.35 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.45 2kmg s VAL 13 Cb -0.21 -3.49 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 2kmg s VAL 13 CO 0.23 0.53 0.20 0.00 0.00 0.00 0.00 175.10 176.06 2kmg n ALA 14 N 2.60 -2.64 0.28 5.51 0.00 -1.26 -4.53 120.51 120.47 2kmg n ALA 14 Ca -0.17 0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.54 2kmg n ALA 14 Cb 0.53 -1.55 0.82 0.00 0.00 0.00 0.00 19.45 19.26 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 0.43 0.00 -0.02 0.00 4.11 -1.99 0.18 114.58 117.28 2kmg h GLU 15 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2kmg h GLU 15 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2kmg h GLU 15 CO 0.48 0.07 -0.23 0.00 0.07 0.00 0.00 179.01 179.40 2kmg n ALA 16 N -2.25 3.00 -0.01 1.06 0.00 -1.26 -4.18 120.51 116.87 2kmg n ALA 16 Ca -0.02 -0.64 0.04 0.00 0.00 0.00 0.00 53.44 52.82 2kmg n ALA 16 Cb 0.19 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 0.56 0.51 0.19 0.00 3.00 -0.58 -4.43 117.38 116.63 2kmg n GLN 17 Ca 0.12 -0.08 0.14 0.00 -0.01 0.00 0.00 57.00 57.17 2kmg n GLN 17 Cb 0.51 -1.23 0.53 0.00 0.00 0.00 0.00 30.24 30.05 2kmg n GLN 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2kmg h ARG 18 N 0.00 0.00 0.00 -1.09 0.11 -0.85 0.34 114.38 112.89 2kmg h ARG 18 Ca -0.02 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.87 2kmg h ARG 18 Cb 0.56 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.61 2kmg h ARG 18 CO 0.00 0.00 -0.88 1.37 0.10 0.00 0.00 179.97 180.56 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.77 -3.31 115.31 118.41 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 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2kmg h LEU 19 CO 0.00 0.88 -1.65 -0.67 -4.11 0.00 0.00 178.44 172.89 2kmg n ASP 20 N -3.48 1.75 0.27 0.17 2.03 -1.08 -4.40 116.55 111.80 2kmg n ASP 20 Ca -0.00 -0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2kmg n ASP 20 Cb 0.84 1.65 0.73 0.00 -0.72 0.00 0.00 41.12 43.62 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 0.00 0.22 -0.67 3.57 -0.42 0.17 116.94 119.81 2kmg h PHE 21 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2kmg h PHE 21 Cb 0.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2kmg h PHE 21 CO 0.00 0.08 -0.11 1.25 -2.23 0.00 0.00 178.31 177.31 2kmg h LEU 22 N 0.00 -0.26 -1.77 0.59 5.85 -1.77 0.18 115.31 118.13 2kmg h LEU 22 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kmg h LEU 22 Cb 0.19 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2kmg h LEU 22 CO 0.01 0.26 0.00 1.55 -0.34 0.00 0.00 178.44 179.92 2kmg h PRO 23 N -0.99 0.00 0.08 5.25 0.13 -1.71 0.66 132.00 135.42 2kmg h PRO 23 Ca -0.03 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.74 2kmg h PRO 23 Cb 0.43 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 2kmg h PRO 23 CO 0.05 0.00 -2.02 2.41 -0.23 0.00 0.00 178.00 178.21 2kmg n THR 24 N -3.08 1.70 -0.11 1.56 -1.04 0.04 -2.98 114.28 110.35 2kmg n THR 24 Ca -0.00 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 2kmg n THR 24 Cb 0.26 -1.72 -0.11 0.00 -1.82 0.00 0.00 70.33 66.93 2kmg n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kmg n TYR 25 N -3.58 0.30 0.02 -1.42 4.19 0.61 -4.57 117.16 112.71 2kmg n TYR 25 Ca -0.35 0.10 -0.18 0.00 3.31 0.00 0.00 57.90 60.77 2kmg n TYR 25 Cb 0.99 -1.03 -0.12 0.00 0.49 0.00 0.00 39.34 39.66 2kmg n TYR 25 CO 0.00 0.00 0.00 0.35 0.91 0.00 0.00 176.86 178.12 2kmg h PHE 26 N -0.55 0.58 0.00 2.98 3.57 0.11 -3.50 116.94 120.13 2kmg h PHE 26 Ca -0.58 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 60.56 2kmg h PHE 26 Cb 1.71 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.40 2kmg h PHE 26 CO -0.00 1.21 0.00 0.41 -2.23 0.00 0.00 178.31 177.70 2kmg n GLY 27 N 1.30 3.95 0.06 2.40 0.00 0.13 -4.57 105.19 108.47 2kmg n GLY 27 Ca -0.12 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.52 2kmg n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kmg n PRO 28 N -1.16 0.09 -0.78 1.61 -0.04 -1.16 -0.95 135.00 132.61 2kmg n PRO 28 Ca 0.00 0.37 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 2kmg n PRO 28 Cb 0.00 -1.68 0.17 0.00 -0.04 0.00 0.00 33.50 31.95 2kmg n PRO 28 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kmg n ARG 29 N -1.85 1.29 0.00 0.54 0.00 -1.26 -4.66 116.66 110.72 2kmg n ARG 29 Ca 0.02 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.81 2kmg n ARG 29 Cb 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.32 2kmg n ARG 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2kmg n LEU 30 N -0.80 0.10 -0.32 6.15 4.32 -0.77 -4.64 117.00 121.04 2kmg n LEU 30 Ca 0.17 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.22 2kmg n LEU 30 Cb 0.78 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.73 2kmg n LEU 30 CO -0.04 0.02 0.71 0.00 -1.22 0.00 0.00 177.39 176.86 2kmg h MET 31 N 0.00 0.01 0.14 3.23 -0.00 -1.29 0.57 114.93 117.59 2kmg h MET 31 Ca 0.00 -0.00 -0.35 0.00 -0.00 0.00 0.00 59.70 59.35 2kmg h MET 31 Cb 0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 2kmg h MET 31 CO 0.00 0.01 -1.88 0.00 -0.00 0.00 0.00 176.91 175.04 2kmg h MET 32 N 0.01 0.29 -0.61 -0.10 -0.00 -1.89 -2.10 114.93 110.54 2kmg h MET 32 Ca 0.46 -0.49 0.12 0.00 -0.00 0.00 0.00 59.70 59.79 2kmg h MET 32 Cb 0.76 0.18 -0.04 0.00 -0.00 0.00 0.00 31.60 32.51 2kmg h MET 32 CO -0.91 1.20 0.42 0.00 -0.00 0.00 0.00 176.91 177.61 2kmg h ARG 33 N 0.08 0.29 0.00 -0.10 2.47 -1.60 -2.14 114.38 113.37 2kmg h ARG 33 Ca -0.38 -0.02 -0.37 0.00 -1.26 0.00 0.00 59.98 57.95 2kmg h ARG 33 Cb 2.05 -0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 30.24 2kmg h ARG 33 CO 0.12 0.19 -2.41 0.41 0.56 0.00 0.00 179.97 178.84 2kmg n GLY 34 N -1.55 -0.55 0.13 0.04 0.00 0.19 -3.75 105.19 99.70 2kmg n GLY 34 Ca 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -0.04 -0.07 1.61 4.81 -1.22 0.34 114.58 120.01 2kmg h GLU 35 Ca -0.55 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 2kmg h GLU 35 Cb 1.98 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.36 2kmg h GLU 35 CO -0.05 -0.02 -0.42 0.00 -0.73 0.00 0.00 179.01 177.78 2kmg h ALA 36 N 1.14 1.16 -0.48 2.92 0.00 -1.62 -2.93 119.26 119.46 2kmg h ALA 36 Ca 0.10 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2kmg h ALA 36 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kmg h ALA 36 CO -0.22 0.58 0.02 -0.07 0.00 0.00 0.00 179.25 179.56 2kmg h LEU 37 N 0.13 0.81 -0.21 0.00 -0.00 -1.37 -1.29 115.31 113.38 2kmg h LEU 37 Ca 0.01 -0.29 -0.21 0.00 -0.00 0.00 0.00 57.88 57.38 2kmg h LEU 37 Cb 0.81 -0.22 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2kmg h LEU 37 CO 0.06 0.90 -0.71 -0.37 -0.00 0.00 0.00 178.44 178.32 2kmg h VAL 38 N 0.69 1.28 -0.03 1.22 -1.51 -0.93 -3.15 116.25 113.82 2kmg h VAL 38 Ca 0.14 -1.91 -0.15 0.00 -1.23 0.00 0.00 66.70 63.55 2kmg h VAL 38 Cb 0.47 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 2kmg h VAL 38 CO 0.02 0.61 -0.66 0.10 -1.23 0.00 0.00 177.57 176.40 2kmg h TYR 39 N 0.57 0.17 -0.18 5.19 -0.00 -1.54 -2.78 116.97 118.41 2kmg h TYR 39 Ca -0.03 -0.07 0.03 0.00 -0.00 0.00 0.00 58.73 58.65 2kmg h TYR 39 Cb 1.34 -0.03 -0.03 0.00 -0.00 0.00 0.00 36.73 38.01 2kmg h TYR 39 CO 0.08 0.75 0.01 0.00 -0.00 0.00 0.00 178.16 179.01 2kmg h ALA 40 N 1.23 0.16 -0.43 0.10 0.00 -1.23 -0.89 119.26 118.19 2kmg h ALA 40 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2kmg h ALA 40 Cb 1.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2kmg h ALA 40 CO 0.10 -0.43 0.01 -1.49 0.00 0.00 0.00 179.25 177.44 2kmg h TRP 41 N 0.07 0.73 -0.08 0.00 4.06 -1.53 -2.91 115.95 116.29 2kmg h TRP 41 Ca 0.08 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2kmg h TRP 41 Cb 0.09 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2kmg h TRP 41 CO -0.15 0.68 0.04 1.98 -3.56 0.00 0.00 178.44 177.43 2kmg h MET 42 N 0.66 0.11 0.00 0.49 4.05 -1.08 -1.92 114.93 117.23 2kmg h MET 42 Ca 0.13 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2kmg h MET 42 Cb 0.40 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2kmg h MET 42 CO 0.01 0.13 0.00 2.89 0.23 0.00 0.00 176.91 180.18 2kmg n ARG 43 N -5.00 0.00 0.08 0.39 -4.01 -0.41 -1.72 116.66 105.99 2kmg n ARG 43 Ca -0.06 0.27 0.12 0.00 -1.04 0.00 0.00 57.85 57.14 2kmg n ARG 43 Cb 0.06 -1.50 0.07 0.00 -3.04 0.00 0.00 32.46 28.05 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 -1.16 -3.32 114.38 115.87 2kmg h ARG 44 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2kmg h ARG 44 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2kmg h ARG 44 CO 0.00 0.00 -0.63 -0.07 -1.07 0.00 0.00 179.97 178.20 2kmg h LEU 45 N 0.00 0.00 -7.98 3.04 3.38 -1.05 -3.44 115.31 109.25 2kmg h LEU 45 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2kmg h LEU 45 Cb 0.86 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.30 2kmg h LEU 45 CO 0.00 0.32 -0.79 0.00 0.09 0.00 0.00 178.44 178.05 2kmg h GLU 47 N 6.45 0.00 -1.50 0.00 4.11 -1.88 -3.25 114.58 118.51 2kmg h GLU 47 Ca -0.33 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.45 2kmg h GLU 47 Cb 1.17 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.05 2kmg h GLU 47 CO 0.48 0.00 -0.09 0.54 0.07 0.00 0.00 179.01 180.02 2kmg n ARG 48 N -2.94 3.20 -3.76 1.06 1.74 -1.26 -4.93 116.66 109.77 2kmg n ARG 48 Ca 0.04 -4.07 -0.36 0.00 -0.77 0.00 0.00 57.85 52.69 2kmg n ARG 48 Cb 0.50 -2.26 -0.11 0.00 -1.02 0.00 0.00 32.46 29.58 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2kmg s TYR 49 N -3.73 3.45 -1.99 -1.55 6.14 -1.23 -4.91 117.35 113.54 2kmg s TYR 49 Ca 0.51 -2.68 0.31 0.00 0.64 0.00 0.00 57.07 55.85 2kmg s TYR 49 Cb 0.42 -3.17 1.79 0.00 0.42 0.00 0.00 41.96 41.42 2kmg s TYR 49 CO -0.21 -0.87 2.16 0.27 0.64 0.00 0.00 175.55 177.54 2kmg n ASN 50 N 3.78 0.14 0.00 4.32 0.23 -1.26 -4.84 115.26 117.63 2kmg n ASN 50 Ca 0.05 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.13 2kmg n ASN 50 Cb 0.38 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2kmg n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kmg n GLY 51 N 1.05 0.37 3.79 4.83 0.00 -1.26 -5.14 105.19 108.82 2kmg n GLY 51 Ca 0.23 -2.31 0.01 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.46 -2.18 -0.75 4.61 0.00 -1.26 -4.99 121.76 115.73 2kmg s ALA 52 Ca 0.00 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 2kmg s ALA 52 Cb 0.00 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.82 2kmg s ALA 52 CO 0.00 -1.09 1.03 0.71 0.00 0.00 0.00 175.76 176.41 2kmg s TYR 53 N -2.32 2.80 -1.22 0.00 2.02 -1.26 -4.74 117.35 112.62 2kmg s TYR 53 Ca 0.20 -0.81 -0.20 0.00 -0.37 0.00 0.00 57.07 55.89 2kmg s TYR 53 Cb 0.02 -4.31 -0.02 0.00 -0.40 0.00 0.00 41.96 37.25 2kmg s TYR 53 CO -0.01 -1.61 1.87 0.91 -1.57 0.00 0.00 175.55 175.14 2kmg n TRP 54 N 7.41 3.54 -1.65 2.71 8.01 -1.25 -1.61 117.44 134.60 2kmg n TRP 54 Ca 0.06 -2.18 -0.50 0.00 -1.31 0.00 0.00 57.50 53.57 2kmg n TRP 54 Cb 0.47 -2.56 -0.05 0.00 -2.01 0.00 0.00 31.31 27.16 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 10.77 1.99 -2.41 -5.99 8.25 0.20 -4.51 115.22 123.52 2kmg n HIS 55 Ca 0.47 0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 57.91 2kmg n HIS 55 Cb 0.45 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.05 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 1.56 3.45 -0.04 4.41 2.02 -1.26 -2.76 117.35 124.72 2kmg s TYR 56 Ca 0.85 1.34 0.06 0.00 -0.37 0.00 0.00 57.07 58.96 2kmg s TYR 56 Cb -0.83 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 37.30 2kmg s TYR 56 CO 0.46 -1.24 -0.23 0.71 -1.57 0.00 0.00 175.55 173.69 2kmg s TYR 57 N 0.73 2.45 -0.55 2.71 1.51 -0.85 -2.72 117.35 120.63 2kmg s TYR 57 Ca 0.57 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 56.09 2kmg s TYR 57 Cb -0.30 -1.56 0.14 0.00 -0.11 0.00 0.00 41.96 40.13 2kmg s TYR 57 CO 0.31 -0.03 0.43 0.00 -1.11 0.00 0.00 175.55 175.16 2kmg s ALA 58 N -0.52 3.54 0.55 3.71 0.00 0.72 -2.93 121.76 126.83 2kmg s ALA 58 Ca 0.07 -2.73 -0.19 0.00 0.00 0.00 0.00 51.96 49.11 2kmg s ALA 58 Cb -0.11 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2kmg s ALA 58 CO 0.01 -2.00 1.08 -0.51 0.00 0.00 0.00 175.76 174.34 2kmg s LEU 59 N 1.05 3.70 0.51 0.00 1.43 -1.26 -2.92 118.68 121.19 2kmg s LEU 59 Ca 0.08 2.01 0.23 0.00 -1.03 0.00 0.00 54.13 55.42 2kmg s LEU 59 Cb -0.24 -4.56 1.37 0.00 0.03 0.00 0.00 46.19 42.79 2kmg s LEU 59 CO -0.02 -1.11 2.09 0.77 0.23 0.00 0.00 176.35 178.31 2kmg h SER 60 N 1.05 0.00 0.94 2.29 4.64 -1.87 -1.91 113.55 118.69 2kmg h SER 60 Ca -0.49 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.62 2kmg h SER 60 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 2kmg h SER 60 CO 0.57 0.10 -1.10 -2.24 -0.87 0.00 0.00 176.83 173.29 2kmg h ASP 61 N 0.00 0.00 0.00 4.97 2.03 -1.91 -3.48 116.42 118.03 2kmg h ASP 61 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kmg h ASP 61 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2kmg h ASP 61 CO 0.01 0.94 0.00 0.61 -1.03 0.00 0.00 179.24 179.78 2kmg n GLY 62 N 1.38 1.24 0.23 7.15 0.00 -0.72 -5.01 105.19 109.46 2kmg n GLY 62 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 0.88 -4.24 -0.02 0.00 -1.86 -3.47 103.07 94.36 2kmg h GLY 63 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.26 2kmg h GLY 63 CO 0.00 0.96 -0.85 0.33 0.00 0.00 0.00 176.54 176.97 2kmg n PHE 64 N -4.06 -4.28 -4.64 5.60 -0.00 -1.26 -4.93 117.46 103.89 2kmg n PHE 64 Ca -0.05 2.56 -0.25 0.00 -0.00 0.00 0.00 57.45 59.71 2kmg n PHE 64 Cb 0.62 -3.58 -0.14 0.00 -0.00 0.00 0.00 39.48 36.38 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 2kmg s TYR 65 N -0.50 1.73 -0.18 -5.13 1.13 -1.15 -4.96 117.35 108.29 2kmg s TYR 65 Ca 0.00 -0.37 -0.06 0.00 -1.41 0.00 0.00 57.07 55.23 2kmg s TYR 65 Cb 0.00 -1.04 -0.04 0.00 -1.10 0.00 0.00 41.96 39.79 2kmg s TYR 65 CO 0.00 0.07 0.03 -1.64 -2.51 0.00 0.00 175.55 171.50 2kmg s MET 66 N -1.09 3.86 -0.08 -3.49 -1.94 -1.26 -2.02 119.30 113.28 2kmg s MET 66 Ca 0.07 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.67 2kmg s MET 66 Cb -0.09 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.65 2kmg s MET 66 CO 0.01 0.25 -0.18 0.00 -0.01 0.00 0.00 175.02 175.09 2kmg s ALA 67 N 0.41 1.71 0.79 3.03 0.00 -1.11 -4.51 121.76 122.08 2kmg s ALA 67 Ca 0.01 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2kmg s ALA 67 Cb -0.13 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.38 2kmg s ALA 67 CO 0.01 0.21 1.11 -1.25 0.00 0.00 0.00 175.76 175.83 2kmg s PRO 68 N 0.48 2.03 -0.88 0.00 0.04 -1.24 -0.63 135.00 134.81 2kmg s PRO 68 Ca -0.16 1.27 -0.10 0.00 0.04 0.00 0.00 61.00 62.05 2kmg s PRO 68 Cb -0.17 -1.86 0.23 0.00 0.04 0.00 0.00 34.50 32.74 2kmg s PRO 68 CO 0.06 -1.83 0.82 0.34 0.04 0.00 0.00 177.00 176.43 2kmg s ASP 69 N -3.16 6.66 -0.27 6.66 2.15 -0.63 -4.50 116.67 123.57 2kmg s ASP 69 Ca 0.63 -3.03 -0.02 0.00 0.43 0.00 0.00 52.55 50.56 2kmg s ASP 69 Cb -0.19 -2.14 0.12 0.00 -0.30 0.00 0.00 42.92 40.41 2kmg s ASP 69 CO 0.55 -0.44 0.22 -0.76 -0.17 0.00 0.00 175.17 174.57 2kmg s LEU 70 N -0.36 0.06 0.23 -1.34 1.43 -1.26 -4.51 118.68 112.92 2kmg s LEU 70 Ca 0.22 -0.85 -0.23 0.00 -1.03 0.00 0.00 54.13 52.24 2kmg s LEU 70 Cb -0.11 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.21 2kmg s LEU 70 CO -0.08 -0.40 0.79 0.00 0.23 0.00 0.00 176.35 176.89 2kmg s ALA 71 N 2.26 3.38 0.00 4.21 0.00 -1.26 -3.09 121.76 127.26 2kmg s ALA 71 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2kmg s ALA 71 Cb -0.15 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2kmg s ALA 71 CO -0.31 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2kmg n GLY 72 N 0.94 0.79 3.66 0.00 0.00 -1.26 -4.96 105.19 104.36 2kmg n GLY 72 Ca -0.02 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.22 4.27 -0.09 1.61 0.52 -1.26 -4.53 118.95 118.25 2kmg s ARG 73 Ca 0.00 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 2kmg s ARG 73 Cb 0.00 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.88 2kmg s ARG 73 CO 0.00 -0.48 -0.09 -0.48 0.02 0.00 0.00 175.30 174.27 2kmg s LEU 74 N 2.69 1.33 -0.23 2.53 2.34 -1.26 -5.02 118.68 121.06 2kmg s LEU 74 Ca 0.41 -0.29 -0.29 0.00 0.06 0.00 0.00 54.13 54.02 2kmg s LEU 74 Cb -0.16 -0.81 -0.03 0.00 -0.56 0.00 0.00 46.19 44.63 2kmg s LEU 74 CO 0.09 -0.07 1.80 -1.83 -1.06 0.00 0.00 176.35 175.29 2kmg s GLU 75 N 1.34 3.57 -0.24 1.48 -1.05 -1.26 -2.39 118.70 120.14 2kmg s GLU 75 Ca -0.02 1.72 0.01 0.00 -0.15 0.00 0.00 54.97 56.53 2kmg s GLU 75 Cb -0.14 -4.15 0.06 0.00 -0.44 0.00 0.00 34.13 29.46 2kmg s GLU 75 CO -0.04 -1.58 -0.06 0.42 0.95 0.00 0.00 175.26 174.95 2kmg s ILE 76 N 6.18 1.62 -0.41 1.83 -1.09 -1.25 -4.80 121.20 123.27 2kmg s ILE 76 Ca 0.80 -1.29 -0.28 0.00 -2.23 0.00 0.00 60.65 57.65 2kmg s ILE 76 Cb -0.27 -1.87 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 2kmg s ILE 76 CO 0.33 -0.10 1.06 -1.83 -1.23 0.00 0.00 174.94 173.17 2kmg s GLU 77 N 1.35 3.83 -0.99 2.79 -1.05 0.20 -3.30 118.70 121.54 2kmg s GLU 77 Ca -0.06 0.69 -0.23 0.00 -0.15 0.00 0.00 54.97 55.21 2kmg s GLU 77 Cb -0.19 -3.84 0.04 0.00 -0.44 0.00 0.00 34.13 29.70 2kmg s GLU 77 CO -0.06 -1.14 1.47 0.08 0.95 0.00 0.00 175.26 176.55 2kmg s VAL 78 N 3.97 3.87 0.41 1.83 1.01 -0.80 -4.25 120.40 126.44 2kmg s VAL 78 Ca 0.44 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.90 2kmg s VAL 78 Cb -0.10 -4.98 0.18 0.00 0.00 0.00 0.00 36.38 31.48 2kmg s VAL 78 CO 0.24 -1.87 1.95 -0.55 0.00 0.00 0.00 175.10 174.87 2kmg h ASN 79 N 9.94 0.18 -1.69 3.32 7.08 -1.86 0.53 115.58 133.07 2kmg h ASN 79 Ca 0.15 -0.03 0.50 0.00 -3.08 0.00 0.00 56.30 53.83 2kmg h ASN 79 Cb 1.01 -0.05 -0.08 0.00 -2.08 0.00 0.00 38.32 37.13 2kmg h ASN 79 CO 1.40 0.32 1.20 1.23 -2.08 0.00 0.00 177.43 179.50 2kmg h GLY 80 N 0.65 0.17 -0.44 9.14 0.00 -1.87 -2.68 103.07 108.04 2kmg h GLY 80 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2kmg h GLY 80 CO 0.02 -0.05 -0.11 1.16 0.00 0.00 0.00 176.54 177.56 2kmg n ASN 81 N -4.10 0.00 -1.20 0.19 0.23 -1.07 -4.93 115.26 104.38 2kmg n ASN 81 Ca 0.39 -1.21 -0.14 0.00 -0.53 0.00 0.00 54.58 53.09 2kmg n ASN 81 Cb 1.74 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 39.35 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 0.99 3.47 4.83 0.00 0.17 -4.94 105.19 109.72 2kmg n GLY 82 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.56 2.82 -0.53 1.61 5.36 -0.13 -4.88 117.98 119.67 2kmg s PHE 83 Ca 0.00 -0.93 -0.28 0.00 -0.96 0.00 0.00 56.93 54.75 2kmg s PHE 83 Cb 0.00 -4.37 0.02 0.00 -0.34 0.00 0.00 43.02 38.33 2kmg s PHE 83 CO 0.00 -1.65 1.26 0.50 -1.46 0.00 0.00 175.22 173.87 2kmg s ARG 84 N 3.70 3.52 -0.28 10.12 3.52 -1.26 -1.90 118.95 136.38 2kmg s ARG 84 Ca 0.31 0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 56.20 2kmg s ARG 84 Cb -0.08 -4.02 0.09 0.00 -1.56 0.00 0.00 34.95 29.37 2kmg s ARG 84 CO -0.01 -1.66 0.73 0.20 -0.81 0.00 0.00 175.30 173.75 2kmg s GLY 85 N 3.32 -0.56 0.35 8.12 0.00 -1.21 -4.98 107.32 112.37 2kmg s GLY 85 Ca 0.49 2.45 -0.28 0.00 0.00 0.00 0.00 44.72 47.38 2kmg s GLY 85 CO 0.28 2.33 1.41 -0.54 0.00 0.00 0.00 173.10 176.58 2kmg s GLU 86 N 1.42 4.22 -0.17 2.90 2.02 -1.26 -3.87 118.70 123.96 2kmg s GLU 86 Ca -0.08 2.41 -0.16 0.00 0.02 0.00 0.00 54.97 57.15 2kmg s GLU 86 Cb -0.05 -3.02 0.05 0.00 0.10 0.00 0.00 34.13 31.21 2kmg s GLU 86 CO -0.17 -0.38 0.47 -1.17 0.02 0.00 0.00 175.26 174.03 2kmg s LEU 87 N -1.89 0.21 0.90 1.80 2.96 -1.01 -4.91 118.68 116.75 2kmg s LEU 87 Ca 0.51 0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 55.26 2kmg s LEU 87 Cb -0.43 1.61 0.14 0.00 0.50 0.00 0.00 46.19 48.00 2kmg s LEU 87 CO 0.58 -0.17 1.13 -0.44 -1.32 0.00 0.00 176.35 176.14 2kmg s SER 88 N 0.23 3.10 0.64 3.68 0.01 -1.26 -4.32 113.70 115.78 2kmg s SER 88 Ca -0.00 2.11 0.42 0.00 1.31 0.00 0.00 55.95 59.79 2kmg s SER 88 Cb -0.03 -2.55 2.25 0.00 0.21 0.00 0.00 66.02 65.90 2kmg s SER 88 CO 0.01 -2.98 2.29 0.00 0.41 0.00 0.00 173.24 172.97 2kmg h ALA 89 N -1.78 1.00 0.12 1.44 0.00 -1.81 0.39 119.26 118.63 2kmg h ALA 89 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kmg h ALA 89 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2kmg h ALA 89 CO 0.43 0.00 -0.06 0.22 0.00 0.00 0.00 179.25 179.84 2kmg h ASP 90 N 0.00 -0.14 0.76 0.00 3.58 -1.85 -1.18 116.42 117.58 2kmg h ASP 90 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kmg h ASP 90 Cb 0.06 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kmg h ASP 90 CO 0.00 0.32 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 2kmg h ALA 91 N -1.08 1.00 0.13 -0.78 0.00 -1.88 -2.61 119.26 114.03 2kmg h ALA 91 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 2kmg h ALA 91 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kmg h ALA 91 CO 0.03 0.00 -1.63 0.00 0.00 0.00 0.00 179.25 177.65 2kmg h ALA 92 N 2.01 0.29 0.00 0.00 0.00 -1.02 -3.28 119.26 117.26 2kmg h ALA 92 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2kmg h ALA 92 Cb 0.38 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kmg h ALA 92 CO 0.00 1.16 0.00 0.78 0.00 0.00 0.00 179.25 181.19 2kmg h GLY 93 N 1.53 0.00 1.32 0.00 0.00 -0.81 -1.18 103.07 103.93 2kmg h GLY 93 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.84 2kmg h GLY 93 CO 0.15 0.00 -0.78 -2.22 0.00 0.00 0.00 176.54 173.70 2kmg h ILE 94 N 0.00 1.31 0.00 2.60 1.08 -1.59 -2.85 117.51 118.05 2kmg h ILE 94 Ca 0.00 -2.05 -0.12 0.00 -0.39 0.00 0.00 64.86 62.30 2kmg h ILE 94 Cb 0.08 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 2kmg h ILE 94 CO 0.00 0.64 -0.55 0.58 -0.69 0.00 0.00 178.15 178.12 2kmg h VAL 95 N 0.44 1.04 -0.11 1.67 2.07 -1.37 -2.37 116.25 117.63 2kmg h VAL 95 Ca -0.05 -2.21 -0.09 0.00 0.82 0.00 0.00 66.70 65.18 2kmg h VAL 95 Cb 1.39 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2kmg h VAL 95 CO 0.15 0.54 -0.27 0.00 0.02 0.00 0.00 177.57 178.02 2kmg h ALA 96 N 1.45 0.18 -0.06 1.67 0.00 -1.42 -2.92 119.26 118.15 2kmg h ALA 96 Ca -0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 2kmg h ALA 96 Cb 1.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kmg h ALA 96 CO 0.07 0.18 -0.59 0.00 0.00 0.00 0.00 179.25 178.91 2kmg h THR 97 N -0.06 1.38 0.01 0.00 1.03 -1.58 -3.20 112.91 110.49 2kmg h THR 97 Ca -0.00 -1.96 0.03 0.00 -0.01 0.00 0.00 66.41 64.47 2kmg h THR 97 Cb 0.87 2.35 -0.05 0.00 -1.07 0.00 0.00 68.15 70.26 2kmg h THR 97 CO 0.06 0.58 -0.28 -0.07 -0.01 0.00 0.00 175.52 175.80 2kmg h LEU 98 N 0.07 -0.82 -1.93 0.00 3.38 -1.53 -1.32 115.31 113.17 2kmg h LEU 98 Ca -0.06 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.16 2kmg h LEU 98 Cb 1.26 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2kmg h LEU 98 CO 0.12 -0.35 0.37 -0.26 0.09 0.00 0.00 178.44 178.41 2kmg h PHE 99 N -0.43 0.09 -0.54 1.13 0.04 -1.62 -1.07 116.94 114.53 2kmg h PHE 99 Ca 0.06 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 2kmg h PHE 99 Cb 0.51 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 2kmg h PHE 99 CO -0.30 0.04 0.03 0.00 -0.60 0.00 0.00 178.31 177.48 2kmg h ALA 100 N 1.74 0.73 -0.59 2.45 0.00 -1.24 -2.90 119.26 119.44 2kmg h ALA 100 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kmg h ALA 100 Cb 0.88 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2kmg h ALA 100 CO -0.02 0.52 0.39 -0.07 0.00 0.00 0.00 179.25 180.07 2kmg h LEU 101 N 0.82 0.69 -1.11 0.00 3.38 -0.84 -0.25 115.31 118.00 2kmg h LEU 101 Ca 0.16 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2kmg h LEU 101 Cb 0.49 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2kmg h LEU 101 CO 0.02 0.51 0.07 1.23 0.09 0.00 0.00 178.44 180.36 2kmg h GLY 102 N 0.81 0.75 0.17 0.83 0.00 -1.44 -2.14 103.07 102.04 2kmg h GLY 102 Ca 0.22 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2kmg h GLY 102 CO -0.05 0.41 -0.17 -1.61 0.00 0.00 0.00 176.54 175.12 2kmg h GLN 103 N 0.67 0.07 -0.10 4.80 4.15 -1.29 -3.15 115.11 120.25 2kmg h GLN 103 Ca 0.15 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.49 2kmg h GLN 103 Cb 0.31 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2kmg h GLN 103 CO 0.00 1.03 0.13 1.25 -1.93 0.00 0.00 178.83 179.31 2kmg h LEU 104 N -0.84 0.00 -0.10 -2.39 5.85 -1.06 0.13 115.31 116.91 2kmg h LEU 104 Ca -0.03 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 2kmg h LEU 104 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2kmg h LEU 104 CO 0.03 0.00 -1.02 0.00 -0.34 0.00 0.00 178.44 177.11 2kmg h ALA 105 N 1.84 0.29 -0.01 1.25 0.00 -1.44 -2.56 119.26 118.63 2kmg h ALA 105 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2kmg h ALA 105 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kmg h ALA 105 CO -0.00 0.85 -0.33 0.00 0.00 0.00 0.00 179.25 179.77 2kmg n ALA 106 N -2.54 3.23 -0.08 0.00 0.00 -0.24 -3.62 120.51 117.26 2kmg n ALA 106 Ca -0.07 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 2kmg n ALA 106 Cb 0.88 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 2kmg n ALA 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kmg n GLU 107 N -0.79 0.67 -0.08 0.00 4.07 0.30 -4.48 120.64 120.33 2kmg n GLU 107 Ca 0.11 0.29 -0.12 0.00 -0.06 0.00 0.00 57.16 57.37 2kmg n GLU 107 Cb 0.35 -1.63 -0.05 0.00 -0.06 0.00 0.00 31.44 30.05 2kmg n GLU 107 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2kmg h ILE 108 N -0.31 1.31 -1.16 6.31 3.07 -1.61 -3.49 117.51 121.63 2kmg h ILE 108 Ca -0.50 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 64.64 2kmg h ILE 108 Cb 1.80 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 39.95 2kmg h ILE 108 CO -0.10 0.39 0.00 0.00 -1.05 0.00 0.00 178.15 177.40 2kmg n ALA 109 N -2.44 0.00 -1.78 0.16 0.00 -1.15 -5.01 120.51 110.29 2kmg n ALA 109 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kmg n ALA 109 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kmg n ASP 110 N -0.32 0.00 0.01 0.00 5.68 -1.26 -4.14 116.55 116.52 2kmg n ASP 110 Ca 0.00 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.28 2kmg n ASP 110 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2kmg n ASP 110 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2kmg n THR 111 N 0.00 0.55 -0.08 2.12 -2.24 -1.26 -4.95 114.28 108.42 2kmg n THR 111 Ca 0.00 0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.91 2kmg n THR 111 Cb 0.49 -1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 2kmg n THR 111 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kmg n ASP 112 N -3.02 1.76 -4.45 3.42 9.92 -1.26 -4.79 116.55 118.13 2kmg n ASP 112 Ca -0.01 0.30 -0.44 0.00 -0.53 0.00 0.00 54.79 54.11 2kmg n ASP 112 Cb 0.05 -0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 39.80 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kmg s ALA 113 N -2.90 3.62 0.00 2.24 0.00 -1.26 -3.96 121.76 119.50 2kmg s ALA 113 Ca -0.26 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 48.70 2kmg s ALA 113 Cb 0.04 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.08 2kmg s ALA 113 CO 0.39 -2.90 0.00 0.00 0.00 0.00 0.00 175.76 173.25 2kmg n ALA 114 N 6.18 0.00 -0.03 0.00 0.00 -1.26 -2.95 120.51 122.44 2kmg n ALA 114 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2kmg n ALA 114 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2kmg n ALA 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kmg n ASP 115 N 0.00 0.10 -0.08 0.00 5.75 -1.25 -4.56 116.55 116.50 2kmg n ASP 115 Ca 0.00 -0.46 -0.16 0.00 -0.01 0.00 0.00 54.79 54.16 2kmg n ASP 115 Cb 0.00 0.66 -0.11 0.00 -1.03 0.00 0.00 41.12 40.64 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmg h ALA 116 N 0.00 0.10 0.00 2.12 0.00 -1.93 -3.33 119.26 116.22 2kmg h ALA 116 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2kmg h ALA 116 Cb 0.02 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kmg h ALA 116 CO 0.00 0.28 -0.10 1.37 0.00 0.00 0.00 179.25 180.80 2kmg h LEU 117 N -1.00 0.00 -1.95 0.00 8.10 -1.93 -1.73 115.31 116.80 2kmg h LEU 117 Ca -0.13 0.00 0.18 0.00 0.11 0.00 0.00 57.88 58.04 2kmg h LEU 117 Cb 1.03 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.23 2kmg h LEU 117 CO -0.08 0.10 0.54 0.40 -4.11 0.00 0.00 178.44 175.30 2kmg h ILE 118 N 0.00 0.46 -0.82 0.15 1.08 -1.80 0.24 117.51 116.82 2kmg h ILE 118 Ca -0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 2kmg h ILE 118 Cb 0.22 0.60 -0.09 0.00 -3.07 0.00 0.00 36.82 34.47 2kmg h ILE 118 CO 0.01 0.00 0.42 0.44 -0.69 0.00 0.00 178.15 178.33 2kmg h ASP 119 N 0.00 0.51 -0.77 1.72 5.19 -1.47 0.47 116.42 122.07 2kmg h ASP 119 Ca 0.30 0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.83 2kmg h ASP 119 Cb 1.38 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.85 2kmg h ASP 119 CO -0.00 0.23 0.51 0.03 -3.12 0.00 0.00 179.24 176.89 2kmg h ARG 120 N 0.62 0.91 -0.08 3.56 -0.00 -1.15 -2.15 114.38 116.08 2kmg h ARG 120 Ca 0.44 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.85 2kmg h ARG 120 Cb 0.59 -0.21 -0.00 0.00 0.00 0.00 0.00 29.97 30.35 2kmg h ARG 120 CO -0.34 0.60 0.00 -0.92 0.00 0.00 0.00 179.97 179.31 2kmg h TYR 121 N 0.94 0.16 -0.62 3.04 5.03 -1.03 0.78 116.97 125.26 2kmg h TYR 121 Ca 0.31 -0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.70 2kmg h TYR 121 Cb 0.05 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.25 2kmg h TYR 121 CO -0.00 0.40 0.42 0.45 -1.32 0.00 0.00 178.16 178.11 2kmg h HIS 122 N -0.13 0.43 0.00 -3.82 3.86 -0.90 -0.57 115.15 114.02 2kmg h HIS 122 Ca 0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2kmg h HIS 122 Cb 0.33 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2kmg h HIS 122 CO 0.03 0.20 -0.07 0.74 0.86 0.00 0.00 177.93 179.69 2kmg h PHE 123 N 0.40 0.00 -0.11 2.45 0.04 -1.23 -3.27 116.94 115.22 2kmg h PHE 123 Ca 0.29 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.09 2kmg h PHE 123 Cb 0.61 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.69 2kmg h PHE 123 CO -0.00 0.45 -0.53 1.25 -0.60 0.00 0.00 178.31 178.88 2kmg h LEU 124 N -1.00 -1.68 -1.30 1.54 6.46 -0.65 0.55 115.31 119.23 2kmg h LEU 124 Ca -0.01 0.20 0.35 0.00 -0.12 0.00 0.00 57.88 58.29 2kmg h LEU 124 Cb 0.47 0.66 -0.12 0.00 -0.73 0.00 0.00 40.66 40.94 2kmg h LEU 124 CO -0.01 -0.49 0.72 -0.09 -0.62 0.00 0.00 178.44 177.96 2kmg h ARG 125 N -0.59 0.24 -0.15 1.25 2.43 -1.29 0.57 114.38 116.85 2kmg h ARG 125 Ca 0.03 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2kmg h ARG 125 Cb 0.69 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2kmg h ARG 125 CO -0.42 0.16 -0.43 0.78 -1.51 0.00 0.00 179.97 178.55 2kmg h GLY 126 N 0.25 0.38 1.49 2.80 0.00 -0.96 -3.05 103.07 103.98 2kmg h GLY 126 Ca 0.72 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 2kmg h GLY 126 CO -0.41 0.35 -0.14 -2.75 0.00 0.00 0.00 176.54 173.58 2kmg h PHE 127 N 0.29 0.67 0.00 5.60 3.57 0.87 -2.40 116.94 125.54 2kmg h PHE 127 Ca 0.02 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 2kmg h PHE 127 Cb 0.88 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2kmg h PHE 127 CO 0.02 0.72 -0.00 0.00 -2.23 0.00 0.00 178.31 176.82 2kmg h ALA 128 N 1.29 1.03 0.00 2.41 0.00 -1.35 -1.48 119.26 121.16 2kmg h ALA 128 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kmg h ALA 128 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kmg h ALA 128 CO 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.95 2kmg h ALA 129 N 2.00 1.37 0.00 0.00 0.00 -1.50 -2.08 119.26 119.05 2kmg h ALA 129 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kmg h ALA 129 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kmg h ALA 129 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2kmg n GLY 130 N -0.46 -1.19 3.81 0.00 0.00 -0.56 -4.75 105.19 102.04 2kmg n GLY 130 Ca -0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.49 3.57 -1.08 1.61 3.76 -0.78 -4.95 115.29 114.93 2kmg s HIS 131 Ca 0.30 1.47 0.09 0.00 -0.15 0.00 0.00 55.06 56.77 2kmg s HIS 131 Cb 0.20 -2.70 0.40 0.00 1.11 0.00 0.00 32.58 31.58 2kmg s HIS 131 CO 0.43 0.21 1.26 -0.35 -0.85 0.00 0.00 174.74 175.44 2kmg n PRO 132 N 0.33 0.03 -0.08 8.40 -0.04 -1.26 -1.56 135.00 140.81 2kmg n PRO 132 Ca 0.01 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 2kmg n PRO 132 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 2kmg n PRO 132 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kmg n GLU 133 N -1.46 1.39 -0.31 0.54 1.02 -1.26 -4.77 120.64 115.79 2kmg n GLU 133 Ca 0.03 -2.56 0.16 0.00 -0.02 0.00 0.00 57.16 54.77 2kmg n GLU 133 Cb 0.10 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.37 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kmg h ALA 134 N 0.08 1.52 -0.80 0.62 0.00 -1.41 0.27 119.26 119.54 2kmg h ALA 134 Ca 0.00 0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2kmg h ALA 134 Cb 1.01 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2kmg h ALA 134 CO 0.01 -0.47 0.39 0.00 0.00 0.00 0.00 179.25 179.18 2kmg h ALA 135 N 1.79 1.16 0.00 0.00 0.00 -1.86 0.93 119.26 121.29 2kmg h ALA 135 Ca 0.61 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.41 2kmg h ALA 135 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kmg h ALA 135 CO -0.61 -0.11 -0.88 0.00 0.00 0.00 0.00 179.25 177.64 2kmg h ALA 136 N 1.53 0.51 0.09 0.00 0.00 -0.88 -3.09 119.26 117.42 2kmg h ALA 136 Ca 0.43 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kmg h ALA 136 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kmg h ALA 136 CO -0.36 0.90 -0.04 0.82 0.00 0.00 0.00 179.25 180.57 2kmg h ILE 137 N 0.12 1.15 -0.25 0.00 2.04 -0.15 -1.36 117.51 119.07 2kmg h ILE 137 Ca -0.05 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 2kmg h ILE 137 Cb 1.51 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 2kmg h ILE 137 CO 0.14 0.26 -0.08 0.10 0.00 0.00 0.00 178.15 178.57 2kmg h TYR 138 N -0.65 0.41 -0.01 1.37 -0.00 -1.00 -1.92 116.97 115.18 2kmg h TYR 138 Ca -0.01 -0.05 -0.19 0.00 -0.00 0.00 0.00 58.73 58.48 2kmg h TYR 138 Cb 0.52 -0.12 -0.01 0.00 -0.00 0.00 0.00 36.73 37.12 2kmg h TYR 138 CO 0.09 0.47 -0.85 0.07 -0.00 0.00 0.00 178.16 177.94 2kmg h ARG 139 N 0.37 0.22 -0.11 0.10 0.11 -1.59 0.11 114.38 113.59 2kmg h ARG 139 Ca 0.08 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 59.87 2kmg h ARG 139 Cb 0.37 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2kmg h ARG 139 CO 0.02 0.94 -0.21 0.00 0.10 0.00 0.00 179.97 180.82 2kmg h ALA 140 N 0.98 1.45 0.00 0.08 0.00 -0.61 -2.53 119.26 118.62 2kmg h ALA 140 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kmg h ALA 140 Cb 1.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kmg h ALA 140 CO 0.13 0.39 -0.91 0.44 0.00 0.00 0.00 179.25 179.30 2kmg n ILE 141 N -4.22 0.00 0.03 0.00 -6.64 -0.78 -4.43 119.36 103.32 2kmg n ILE 141 Ca -0.01 -0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.97 2kmg n ILE 141 Cb 0.32 0.87 0.02 0.00 -1.44 0.00 0.00 39.64 39.40 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11