#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 -0.40 0.00 6.12 2.04 -1.26 -5.00 115.26 116.75 2kmg n ASN 2 Ca 0.00 -1.57 0.00 0.00 -0.44 0.00 0.00 54.58 52.57 2kmg n ASN 2 Cb 0.00 0.76 0.00 0.00 -2.53 0.00 0.00 39.78 38.01 2kmg n ASN 2 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 2kmg n THR 3 N -0.17 0.00 -3.65 5.53 5.66 -1.26 -5.11 114.28 115.27 2kmg n THR 3 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 2kmg n THR 3 Cb 0.18 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.92 2kmg n THR 3 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2kmg s GLU 4 N -0.84 3.56 -0.19 1.09 0.41 -1.26 -5.10 118.70 116.37 2kmg s GLU 4 Ca 0.00 -0.22 -0.06 0.00 -0.41 0.00 0.00 54.97 54.28 2kmg s GLU 4 Cb 0.00 -2.83 0.09 0.00 -1.78 0.00 0.00 34.13 29.62 2kmg s GLU 4 CO 0.00 0.41 0.39 -2.00 -0.49 0.00 0.00 175.26 173.57 2kmg s GLU 5 N -3.09 0.30 0.39 1.61 2.56 -1.26 -4.89 118.70 114.32 2kmg s GLU 5 Ca 0.40 0.92 -0.13 0.00 0.00 0.00 0.00 54.97 56.16 2kmg s GLU 5 Cb -0.11 0.17 -0.08 0.00 2.00 0.00 0.00 34.13 36.11 2kmg s GLU 5 CO 0.28 -0.31 0.79 1.14 -0.56 0.00 0.00 175.26 176.60 2kmg s GLN 6 N 2.57 3.89 0.43 4.30 -2.07 -1.26 -4.98 119.66 122.54 2kmg s GLN 6 Ca 0.01 0.61 0.28 0.00 -1.82 0.00 0.00 55.36 54.44 2kmg s GLN 6 Cb -0.12 -2.37 0.93 0.00 -1.09 0.00 0.00 33.01 30.36 2kmg s GLN 6 CO -0.12 0.00 1.80 -1.00 -1.32 0.00 0.00 175.29 174.65 2kmg h PRO 7 N 1.56 0.00 -6.58 9.60 0.13 -2.01 -3.45 132.00 131.25 2kmg h PRO 7 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 2kmg h PRO 7 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 2kmg h PRO 7 CO 0.64 0.00 0.79 0.08 -0.23 0.00 0.00 178.00 179.27 2kmg s VAL 8 N -3.41 3.01 -0.07 1.56 1.01 -1.26 -5.01 120.40 116.23 2kmg s VAL 8 Ca 0.05 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 62.68 2kmg s VAL 8 Cb 0.08 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2kmg s VAL 8 CO 0.56 0.06 0.20 0.42 0.00 0.00 0.00 175.10 176.34 2kmg s THR 9 N 1.05 0.00 0.92 3.92 -4.23 -1.26 -4.87 115.64 111.17 2kmg s THR 9 Ca 0.66 -0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 2kmg s THR 9 Cb -0.40 -0.29 0.18 0.00 1.34 0.00 0.00 72.50 73.33 2kmg s THR 9 CO 0.31 -0.01 1.28 0.00 -0.54 0.00 0.00 174.62 175.66 2kmg s ALA 10 N 0.06 2.41 0.13 3.99 0.00 -1.26 -2.30 121.76 124.79 2kmg s ALA 10 Ca -0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2kmg s ALA 10 Cb -0.02 -2.72 0.07 0.00 0.00 0.00 0.00 23.12 20.46 2kmg s ALA 10 CO 0.00 -2.27 0.68 0.45 0.00 0.00 0.00 175.76 174.63 2kmg s SER 11 N -4.85 -0.50 -0.28 0.00 0.15 -0.94 -4.90 113.70 102.38 2kmg s SER 11 Ca 0.72 -0.04 -0.20 0.00 0.70 0.00 0.00 55.95 57.13 2kmg s SER 11 Cb -0.05 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2kmg s SER 11 CO 0.52 -0.90 0.60 -0.22 1.20 0.00 0.00 173.24 174.43 2kmg s LEU 12 N -2.70 4.10 0.56 3.45 2.96 -1.26 -0.60 118.68 125.20 2kmg s LEU 12 Ca 0.03 0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 54.29 2kmg s LEU 12 Cb -0.01 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2kmg s LEU 12 CO -0.11 -0.40 1.06 -0.69 -1.32 0.00 0.00 176.35 174.89 2kmg s VAL 13 N 2.50 3.76 0.66 1.68 1.01 -1.15 -4.95 120.40 123.90 2kmg s VAL 13 Ca 0.24 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 2kmg s VAL 13 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2kmg s VAL 13 CO 0.10 -0.40 0.65 0.00 0.00 0.00 0.00 175.10 175.44 2kmg n ALA 14 N -1.68 -1.00 0.12 5.51 0.00 -1.26 -4.64 120.51 117.56 2kmg n ALA 14 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2kmg n ALA 14 Cb 0.53 -1.92 0.36 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.07 0.22 -0.02 0.00 9.09 -1.99 0.34 114.58 122.15 2kmg h GLU 15 Ca -0.46 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.89 2kmg h GLU 15 Cb 1.36 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 2kmg h GLU 15 CO 0.45 0.42 -0.23 0.00 0.05 0.00 0.00 179.01 179.70 2kmg n ALA 16 N -2.49 3.02 0.12 1.06 0.00 -1.26 -4.10 120.51 116.87 2kmg n ALA 16 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 52.89 2kmg n ALA 16 Cb 0.32 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 0.26 1.43 0.17 0.00 1.13 -0.94 -4.50 117.38 114.94 2kmg n GLN 17 Ca 0.13 -0.06 0.04 0.00 -1.94 0.00 0.00 57.00 55.16 2kmg n GLN 17 Cb 0.46 -1.13 0.29 0.00 0.11 0.00 0.00 30.24 29.98 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 -0.49 -0.28 114.38 112.63 2kmg h ARG 18 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2kmg h ARG 18 Cb 0.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 2kmg h ARG 18 CO 0.00 0.44 -0.40 1.37 0.10 0.00 0.00 179.97 181.48 2kmg h LEU 19 N 0.00 0.00 -0.11 0.08 8.10 -1.79 -2.96 115.31 118.64 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 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.16 2kmg h LEU 19 CO 0.06 0.40 -0.85 -0.67 -4.11 0.00 0.00 178.44 173.27 2kmg n ASP 20 N -3.64 1.01 -0.24 0.17 2.03 -1.08 -4.34 116.55 110.46 2kmg n ASP 20 Ca -0.01 -1.01 -0.03 0.00 0.52 0.00 0.00 54.79 54.26 2kmg n ASP 20 Cb 0.50 0.94 0.14 0.00 -0.72 0.00 0.00 41.12 41.98 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 0.24 1.08 0.73 -0.67 3.04 -0.87 -0.22 116.94 120.28 2kmg h PHE 21 Ca 0.00 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 2kmg h PHE 21 Cb 0.48 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 2kmg h PHE 21 CO 0.00 0.80 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.60 2kmg h LEU 22 N 1.06 -1.03 -0.08 0.59 -0.00 -1.76 -1.43 115.31 112.66 2kmg h LEU 22 Ca 0.25 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 2kmg h LEU 22 Cb 0.15 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2kmg h LEU 22 CO -0.03 -0.66 0.00 -0.81 -0.00 0.00 0.00 178.44 176.94 2kmg n PRO 23 N -5.57 0.02 0.05 1.13 -0.04 -1.15 0.03 135.00 129.48 2kmg n PRO 23 Ca -0.14 0.35 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 2kmg n PRO 23 Cb 0.45 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 2kmg n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2kmg h THR 24 N 0.00 1.30 0.00 0.52 2.02 -0.01 -3.34 112.91 113.41 2kmg h THR 24 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2kmg h THR 24 Cb 0.17 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2kmg h THR 24 CO 0.00 0.71 0.00 0.00 0.37 0.00 0.00 175.52 176.60 2kmg n TYR 25 N -3.82 0.00 -0.37 3.16 9.36 -0.74 -4.79 117.16 119.96 2kmg n TYR 25 Ca -0.10 0.00 0.32 0.00 3.32 0.00 0.00 57.90 61.43 2kmg n TYR 25 Cb 0.89 0.05 0.58 0.00 -0.63 0.00 0.00 39.34 40.23 2kmg n TYR 25 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2kmg h PHE 26 N 0.00 0.76 0.00 2.98 -1.00 -0.83 -3.46 116.94 115.38 2kmg h PHE 26 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2kmg h PHE 26 Cb 0.00 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.38 2kmg h PHE 26 CO 0.00 -0.32 0.00 0.41 -1.61 0.00 0.00 178.31 176.79 2kmg n GLY 27 N -1.35 3.11 0.10 -1.45 0.00 0.10 -4.25 105.19 101.45 2kmg n GLY 27 Ca 0.36 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 0.11 0.08 -0.13 1.61 -0.04 -1.25 -1.58 135.00 133.80 2kmg n PRO 28 Ca 0.00 0.58 -0.22 0.00 -0.04 0.00 0.00 63.50 63.81 2kmg n PRO 28 Cb 0.00 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 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 -1.94 0.63 0.20 0.54 3.00 -1.26 -4.50 116.66 113.32 2kmg n ARG 29 Ca -0.01 0.19 0.05 0.00 -0.00 0.00 0.00 57.85 58.08 2kmg n ARG 29 Cb 0.03 -1.51 0.40 0.00 0.00 0.00 0.00 32.46 31.38 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 -0.37 0.00 -0.97 6.15 4.07 -1.61 -3.27 115.31 119.31 2kmg h LEU 30 Ca -0.63 0.00 0.32 0.00 0.08 0.00 0.00 57.88 57.65 2kmg h LEU 30 Cb 1.80 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.45 2kmg h LEU 30 CO -0.22 0.35 0.65 1.15 -1.08 0.00 0.00 178.44 179.29 2kmg n MET 31 N -3.88 -0.02 -0.11 1.13 0.00 -0.61 0.95 117.12 114.58 2kmg n MET 31 Ca -0.01 0.78 -0.14 0.00 0.00 0.00 0.00 57.70 58.32 2kmg n MET 31 Cb 0.42 -1.58 -0.13 0.00 0.00 0.00 0.00 33.22 31.93 2kmg n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg n MET 32 N -3.79 0.72 0.28 3.17 0.00 -1.23 -3.40 117.12 112.88 2kmg n MET 32 Ca 0.26 0.09 0.17 0.00 0.00 0.00 0.00 57.70 58.22 2kmg n MET 32 Cb 1.07 -1.48 0.78 0.00 0.00 0.00 0.00 33.22 33.59 2kmg n MET 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg h ARG 33 N 0.00 0.00 0.00 3.17 3.08 0.47 -2.50 114.38 118.61 2kmg h ARG 33 Ca -0.53 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.09 2kmg h ARG 33 Cb 1.96 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.94 2kmg h ARG 33 CO -0.04 0.05 -2.52 0.41 -1.07 0.00 0.00 179.97 176.80 2kmg n GLY 34 N -0.32 -0.41 0.35 0.04 0.00 0.26 -3.59 105.19 101.51 2kmg n GLY 34 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 0.79 0.01 1.61 4.11 -1.60 -1.20 114.58 117.77 2kmg h GLU 35 Ca -0.65 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 58.54 2kmg h GLU 35 Cb 1.75 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 2kmg h GLU 35 CO -0.27 0.52 -0.89 0.00 0.07 0.00 0.00 179.01 178.44 2kmg h ALA 36 N 1.60 0.52 -0.13 1.06 0.00 -1.66 -3.12 119.26 117.54 2kmg h ALA 36 Ca 0.29 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2kmg h ALA 36 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kmg h ALA 36 CO -0.09 1.06 -0.45 1.25 0.00 0.00 0.00 179.25 181.03 2kmg h LEU 37 N 0.02 0.33 0.01 0.00 7.12 -1.32 -0.72 115.31 120.75 2kmg h LEU 37 Ca -0.02 -0.15 -0.27 0.00 0.13 0.00 0.00 57.88 57.57 2kmg h LEU 37 Cb 1.56 -0.09 0.02 0.00 -0.53 0.00 0.00 40.66 41.62 2kmg h LEU 37 CO 0.12 0.73 -1.09 -0.37 -0.13 0.00 0.00 178.44 177.71 2kmg h VAL 38 N 0.25 1.29 0.00 1.05 -1.51 -1.35 -3.20 116.25 112.79 2kmg h VAL 38 Ca 0.02 -2.33 -0.05 0.00 -1.23 0.00 0.00 66.70 63.12 2kmg h VAL 38 Cb 0.89 2.46 -0.01 0.00 -2.13 0.00 0.00 31.29 32.51 2kmg h VAL 38 CO 0.07 0.71 -0.22 0.10 -1.23 0.00 0.00 177.57 177.01 2kmg h TYR 39 N 0.35 0.00 -0.80 5.19 -0.00 -1.54 -2.79 116.97 117.38 2kmg h TYR 39 Ca -0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.56 2kmg h TYR 39 Cb 1.74 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 38.44 2kmg h TYR 39 CO 0.10 0.22 0.38 0.00 -0.00 0.00 0.00 178.16 178.86 2kmg h ALA 40 N 1.78 1.17 0.02 0.10 0.00 -1.12 -2.67 119.26 118.55 2kmg h ALA 40 Ca -0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 2kmg h ALA 40 Cb 1.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2kmg h ALA 40 CO 0.03 0.63 -1.32 -1.49 0.00 0.00 0.00 179.25 177.09 2kmg h TRP 41 N 1.13 0.08 -0.03 0.00 4.06 -1.59 -3.27 115.95 116.33 2kmg h TRP 41 Ca 0.27 -0.06 0.01 0.00 2.06 0.00 0.00 58.89 61.17 2kmg h TRP 41 Cb 0.11 -0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2kmg h TRP 41 CO 0.01 1.07 0.03 1.98 -3.56 0.00 0.00 178.44 177.98 2kmg h MET 42 N 0.01 0.00 0.00 0.49 4.05 -1.21 -0.21 114.93 118.07 2kmg h MET 42 Ca -0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2kmg h MET 42 Cb 1.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 2kmg h MET 42 CO 0.12 0.00 -1.07 2.89 0.23 0.00 0.00 176.91 179.08 2kmg n ARG 43 N -3.92 0.46 0.00 0.39 1.85 -1.03 -3.85 116.66 110.57 2kmg n ARG 43 Ca -0.02 0.04 0.14 0.00 -1.00 0.00 0.00 57.85 57.01 2kmg n ARG 43 Cb 0.12 -1.70 0.65 0.00 -1.05 0.00 0.00 32.46 30.48 2kmg n ARG 43 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kmg n ARG 44 N -2.32 0.42 -0.01 2.89 1.74 -0.11 -3.36 116.66 115.92 2kmg n ARG 44 Ca 0.01 -0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 56.99 2kmg n ARG 44 Cb 0.50 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2kmg n ARG 44 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kmg n LEU 45 N -1.21 0.51 -3.97 0.55 4.77 -1.09 -4.47 117.00 112.08 2kmg n LEU 45 Ca 0.13 0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 56.08 2kmg n LEU 45 Cb 0.28 0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.37 2kmg n LEU 45 CO 0.25 0.22 -0.45 0.00 -1.33 0.00 0.00 177.39 176.07 2kmg h GLU 47 N 7.32 0.00 -1.55 0.00 4.11 -1.87 -2.92 114.58 119.66 2kmg h GLU 47 Ca -0.32 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.44 2kmg h GLU 47 Cb 1.17 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 2kmg h GLU 47 CO 0.45 0.23 0.30 0.54 0.07 0.00 0.00 179.01 180.60 2kmg n ARG 48 N -3.57 3.04 -3.82 1.06 1.74 -1.26 -4.91 116.66 108.93 2kmg n ARG 48 Ca -0.01 -3.85 -0.35 0.00 -0.77 0.00 0.00 57.85 52.88 2kmg n ARG 48 Cb 0.37 -2.27 -0.12 0.00 -1.02 0.00 0.00 32.46 29.43 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 -3.83 3.51 -0.04 -1.55 6.14 -1.11 -4.95 117.35 115.53 2kmg s TYR 49 Ca 0.53 -2.71 -0.26 0.00 0.64 0.00 0.00 57.07 55.27 2kmg s TYR 49 Cb 0.44 -3.11 -0.21 0.00 0.42 0.00 0.00 41.96 39.49 2kmg s TYR 49 CO -0.23 -0.90 1.15 -0.91 0.64 0.00 0.00 175.55 175.30 2kmg h ASN 50 N 7.47 0.07 -0.15 4.32 -0.26 -1.91 -3.45 115.58 121.67 2kmg h ASN 50 Ca -0.08 -0.62 0.00 0.00 -0.56 0.00 0.00 56.30 55.04 2kmg h ASN 50 Cb 0.99 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.23 2kmg h ASN 50 CO 0.67 0.68 0.00 0.61 -1.06 0.00 0.00 177.43 178.33 2kmg n GLY 51 N 0.60 -1.61 3.90 2.83 0.00 -1.26 -5.06 105.19 104.59 2kmg n GLY 51 Ca -0.09 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.20 -2.40 -0.78 4.61 0.00 -1.26 -4.94 121.76 115.79 2kmg s ALA 52 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 2kmg s ALA 52 Cb 0.00 0.77 0.09 0.00 0.00 0.00 0.00 23.12 23.98 2kmg s ALA 52 CO 0.00 -1.13 1.06 0.71 0.00 0.00 0.00 175.76 176.41 2kmg s TYR 53 N -2.10 2.81 -1.09 0.00 2.02 -1.26 -4.66 117.35 113.07 2kmg s TYR 53 Ca 0.26 -0.86 -0.21 0.00 -0.37 0.00 0.00 57.07 55.89 2kmg s TYR 53 Cb 0.01 -4.33 -0.08 0.00 -0.40 0.00 0.00 41.96 37.16 2kmg s TYR 53 CO -0.01 -1.62 1.93 0.91 -1.57 0.00 0.00 175.55 175.18 2kmg n TRP 54 N 7.42 2.78 -1.57 2.71 8.01 -1.25 -1.64 117.44 133.89 2kmg n TRP 54 Ca 0.09 -1.88 -0.44 0.00 -1.31 0.00 0.00 57.50 53.96 2kmg n TRP 54 Cb 0.47 -2.32 -0.01 0.00 -2.01 0.00 0.00 31.31 27.45 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 10.64 1.02 -2.98 -5.99 8.25 0.57 -4.42 115.22 122.32 2kmg n HIS 55 Ca 0.48 0.68 -0.40 0.00 -0.26 0.00 0.00 57.72 58.22 2kmg n HIS 55 Cb 0.44 -2.21 -0.04 0.00 1.12 0.00 0.00 29.99 29.29 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 -1.13 3.56 -0.05 4.41 2.02 -1.26 -2.16 117.35 122.74 2kmg s TYR 56 Ca 0.60 1.30 0.04 0.00 -0.37 0.00 0.00 57.07 58.65 2kmg s TYR 56 Cb -0.68 -2.88 -0.02 0.00 -0.40 0.00 0.00 41.96 37.97 2kmg s TYR 56 CO 0.59 0.01 -0.16 0.71 -1.57 0.00 0.00 175.55 175.13 2kmg s TYR 57 N 1.08 2.64 -0.39 2.71 2.02 0.12 -2.95 117.35 122.57 2kmg s TYR 57 Ca 0.39 -0.21 -0.07 0.00 -0.37 0.00 0.00 57.07 56.81 2kmg s TYR 57 Cb -0.18 -1.61 0.07 0.00 -0.40 0.00 0.00 41.96 39.84 2kmg s TYR 57 CO 0.18 0.14 0.21 0.00 -1.57 0.00 0.00 175.55 174.51 2kmg s ALA 58 N -0.70 3.20 0.45 3.71 0.00 0.23 -2.75 121.76 125.91 2kmg s ALA 58 Ca 0.11 -2.09 -0.20 0.00 0.00 0.00 0.00 51.96 49.78 2kmg s ALA 58 Cb -0.11 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 2kmg s ALA 58 CO 0.00 -1.58 0.96 -0.51 0.00 0.00 0.00 175.76 174.63 2kmg s LEU 59 N 1.38 3.88 0.00 0.00 1.43 -1.26 -2.22 118.68 121.88 2kmg s LEU 59 Ca 0.02 1.68 0.25 0.00 -1.03 0.00 0.00 54.13 55.06 2kmg s LEU 59 Cb -0.22 -4.54 1.28 0.00 0.03 0.00 0.00 46.19 42.74 2kmg s LEU 59 CO 0.01 -0.43 1.84 -1.20 0.23 0.00 0.00 176.35 176.80 2kmg n SER 60 N -0.83 0.00 -0.09 2.29 7.64 -0.97 -3.20 113.62 118.45 2kmg n SER 60 Ca 0.07 -0.10 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 2kmg n SER 60 Cb 0.54 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 2kmg n SER 60 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kmg n ASP 61 N -1.27 1.04 0.00 6.43 -0.08 -1.26 -4.95 116.55 116.46 2kmg n ASP 61 Ca 0.12 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2kmg n ASP 61 Cb 0.19 0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.82 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kmg n GLY 62 N 1.94 1.60 0.07 0.27 0.00 -1.19 -5.04 105.19 102.83 2kmg n GLY 62 Ca -0.36 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -3.38 -0.02 0.00 -1.81 -3.44 103.07 94.42 2kmg h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kmg h GLY 63 CO 0.00 0.00 -0.73 0.69 0.00 0.00 0.00 176.54 176.50 2kmg n PHE 64 N -4.65 -3.78 -4.27 5.60 3.72 -1.26 -4.85 117.46 107.97 2kmg n PHE 64 Ca -0.08 2.14 -0.15 0.00 -0.05 0.00 0.00 57.45 59.31 2kmg n PHE 64 Cb 0.35 -3.25 -0.10 0.00 -0.94 0.00 0.00 39.48 35.54 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kmg s TYR 65 N -1.00 1.37 0.01 1.38 1.13 -1.11 -4.96 117.35 114.16 2kmg s TYR 65 Ca 0.00 -1.15 0.07 0.00 -1.41 0.00 0.00 57.07 54.59 2kmg s TYR 65 Cb 0.00 -0.78 -0.02 0.00 -1.10 0.00 0.00 41.96 40.06 2kmg s TYR 65 CO 0.00 -0.33 -0.22 -1.64 -2.51 0.00 0.00 175.55 170.85 2kmg s MET 66 N -4.01 1.70 -0.04 -3.49 -1.94 -1.26 -0.70 119.30 109.57 2kmg s MET 66 Ca 0.33 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 2kmg s MET 66 Cb 0.07 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 35.21 2kmg s MET 66 CO 0.10 0.46 -0.03 0.00 -0.01 0.00 0.00 175.02 175.54 2kmg s ALA 67 N -0.63 0.54 0.90 3.03 0.00 -0.92 -4.35 121.76 120.33 2kmg s ALA 67 Ca 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2kmg s ALA 67 Cb -0.09 -0.36 0.13 0.00 0.00 0.00 0.00 23.12 22.81 2kmg s ALA 67 CO 0.00 -0.01 1.11 -1.25 0.00 0.00 0.00 175.76 175.61 2kmg s PRO 68 N 0.85 1.19 -0.92 0.00 0.04 -1.22 -0.32 135.00 134.62 2kmg s PRO 68 Ca -0.10 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.10 2kmg s PRO 68 Cb -0.13 -1.77 0.23 0.00 0.04 0.00 0.00 34.50 32.87 2kmg s PRO 68 CO -0.00 -2.41 0.86 0.34 0.04 0.00 0.00 177.00 175.83 2kmg s ASP 69 N -2.98 6.63 -0.18 6.66 2.15 -0.65 -4.47 116.67 123.81 2kmg s ASP 69 Ca 0.65 -3.27 -0.04 0.00 0.43 0.00 0.00 52.55 50.32 2kmg s ASP 69 Cb -0.21 -2.10 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2kmg s ASP 69 CO 0.58 -0.36 0.07 -0.76 -0.17 0.00 0.00 175.17 174.53 2kmg s LEU 70 N -0.72 0.74 -0.41 -1.34 1.43 -1.26 -4.46 118.68 112.65 2kmg s LEU 70 Ca 0.25 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 2kmg s LEU 70 Cb -0.11 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.72 2kmg s LEU 70 CO -0.09 -0.33 0.68 0.00 0.23 0.00 0.00 176.35 176.84 2kmg s ALA 71 N 2.01 3.37 0.00 4.21 0.00 -1.26 -3.61 121.76 126.47 2kmg s ALA 71 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2kmg s ALA 71 Cb -0.17 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kmg s ALA 71 CO -0.09 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.40 2kmg n GLY 72 N 4.90 0.99 3.56 0.00 0.00 -1.26 -5.06 105.19 108.32 2kmg n GLY 72 Ca -0.00 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.61 3.67 -0.13 1.61 1.70 -1.26 -4.41 118.95 118.52 2kmg s ARG 73 Ca 0.00 -0.32 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 2kmg s ARG 73 Cb 0.00 -3.77 0.00 0.00 -0.57 0.00 0.00 34.95 30.61 2kmg s ARG 73 CO 0.00 -0.47 -0.21 -0.51 -1.08 0.00 0.00 175.30 173.03 2kmg s LEU 74 N 2.03 2.21 -0.39 -1.89 1.02 -1.24 -4.95 118.68 115.47 2kmg s LEU 74 Ca 0.12 -0.54 -0.28 0.00 0.02 0.00 0.00 54.13 53.45 2kmg s LEU 74 Cb -0.16 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 2kmg s LEU 74 CO 0.11 0.12 1.82 -1.61 0.02 0.00 0.00 176.35 176.82 2kmg s GLU 75 N 0.59 3.16 -0.33 1.70 0.41 -1.26 -1.18 118.70 121.78 2kmg s GLU 75 Ca -0.12 1.25 -0.02 0.00 -0.41 0.00 0.00 54.97 55.68 2kmg s GLU 75 Cb -0.16 -4.24 0.07 0.00 -1.78 0.00 0.00 34.13 28.01 2kmg s GLU 75 CO 0.03 -2.07 0.06 0.42 -0.49 0.00 0.00 175.26 173.21 2kmg s ILE 76 N 7.47 3.00 -0.70 -1.63 -1.09 -0.73 -4.69 121.20 122.84 2kmg s ILE 76 Ca 0.77 -1.67 -0.18 0.00 -2.23 0.00 0.00 60.65 57.34 2kmg s ILE 76 Cb -0.20 -2.87 0.13 0.00 -1.58 0.00 0.00 42.46 37.94 2kmg s ILE 76 CO 0.31 -0.32 0.81 -1.83 -1.23 0.00 0.00 174.94 172.67 2kmg s GLU 77 N 1.19 3.24 -0.52 2.79 -1.05 0.34 -2.94 118.70 121.75 2kmg s GLU 77 Ca 0.00 -1.57 -0.28 0.00 -0.15 0.00 0.00 54.97 52.98 2kmg s GLU 77 Cb -0.21 -4.41 -0.01 0.00 -0.44 0.00 0.00 34.13 29.06 2kmg s GLU 77 CO -0.03 -1.56 1.67 0.14 0.95 0.00 0.00 175.26 176.43 2kmg s VAL 78 N 2.35 3.56 0.41 1.83 -7.23 -0.99 -4.39 120.40 115.93 2kmg s VAL 78 Ca 0.17 0.46 0.10 0.00 -1.81 0.00 0.00 61.98 60.90 2kmg s VAL 78 Cb -0.18 -4.06 0.21 0.00 0.56 0.00 0.00 36.38 32.91 2kmg s VAL 78 CO 0.01 -0.88 2.00 -0.55 -0.31 0.00 0.00 175.10 175.37 2kmg h ASN 79 N 12.90 0.27 -1.29 4.85 7.08 -1.86 0.77 115.58 138.30 2kmg h ASN 79 Ca -0.28 -0.03 0.41 0.00 -3.08 0.00 0.00 56.30 53.31 2kmg h ASN 79 Cb 1.14 -0.07 -0.12 0.00 -2.08 0.00 0.00 38.32 37.19 2kmg h ASN 79 CO 1.15 0.31 0.83 1.23 -2.08 0.00 0.00 177.43 178.88 2kmg h GLY 80 N 0.56 1.22 -0.36 9.14 0.00 -1.88 -2.45 103.07 109.30 2kmg h GLY 80 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2kmg h GLY 80 CO 0.00 -0.34 -0.17 1.16 0.00 0.00 0.00 176.54 177.19 2kmg n ASN 81 N -4.65 0.00 -2.33 0.19 0.23 -1.00 -4.93 115.26 102.76 2kmg n ASN 81 Ca 0.35 -1.34 -0.18 0.00 -0.53 0.00 0.00 54.58 52.88 2kmg n ASN 81 Cb 1.35 -0.07 -0.01 0.00 -2.08 0.00 0.00 39.78 38.97 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 -0.30 3.44 4.83 0.00 0.26 -4.92 105.19 108.50 2kmg n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.87 2.79 -0.35 1.61 5.36 -0.78 -4.89 117.98 118.84 2kmg s PHE 83 Ca 0.00 -0.58 -0.25 0.00 -0.96 0.00 0.00 56.93 55.14 2kmg s PHE 83 Cb 0.00 -4.14 0.01 0.00 -0.34 0.00 0.00 43.02 38.55 2kmg s PHE 83 CO 0.00 -1.49 0.86 0.50 -1.46 0.00 0.00 175.22 173.63 2kmg s ARG 84 N 3.63 3.85 -0.23 10.12 3.52 -1.26 -2.35 118.95 136.22 2kmg s ARG 84 Ca 0.20 0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 56.04 2kmg s ARG 84 Cb -0.18 -3.79 0.14 0.00 -1.56 0.00 0.00 34.95 29.56 2kmg s ARG 84 CO 0.10 -0.86 1.09 0.20 -0.81 0.00 0.00 175.30 175.03 2kmg s GLY 85 N 1.80 -0.13 -0.05 8.12 0.00 -1.15 -5.00 107.32 110.91 2kmg s GLY 85 Ca 0.35 2.49 -0.30 0.00 0.00 0.00 0.00 44.72 47.26 2kmg s GLY 85 CO 0.17 1.41 1.03 -1.83 0.00 0.00 0.00 173.10 173.87 2kmg s GLU 86 N -0.53 4.47 0.03 2.90 -1.05 -1.26 -1.77 118.70 121.50 2kmg s GLU 86 Ca 0.02 1.46 0.01 0.00 -0.15 0.00 0.00 54.97 56.30 2kmg s GLU 86 Cb -0.03 -3.50 -0.02 0.00 -0.44 0.00 0.00 34.13 30.14 2kmg s GLU 86 CO -0.04 -0.22 -0.05 -1.17 0.95 0.00 0.00 175.26 174.73 2kmg s LEU 87 N 1.58 2.27 0.71 1.83 2.96 -0.33 -4.83 118.68 122.88 2kmg s LEU 87 Ca 0.51 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 2kmg s LEU 87 Cb -0.21 0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.52 2kmg s LEU 87 CO 0.23 -0.29 1.09 -0.55 -1.32 0.00 0.00 176.35 175.51 2kmg s SER 88 N -1.64 4.94 0.55 3.68 0.15 -1.26 -3.68 113.70 116.44 2kmg s SER 88 Ca -0.12 1.83 0.37 0.00 0.70 0.00 0.00 55.95 58.73 2kmg s SER 88 Cb -0.08 -2.52 1.94 0.00 -1.71 0.00 0.00 66.02 63.64 2kmg s SER 88 CO -0.01 -1.74 2.12 0.00 1.20 0.00 0.00 173.24 174.81 2kmg h ALA 89 N -0.61 1.00 0.05 5.45 0.00 -1.82 0.54 119.26 123.87 2kmg h ALA 89 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kmg h ALA 89 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kmg h ALA 89 CO 0.54 0.00 -0.02 0.22 0.00 0.00 0.00 179.25 179.98 2kmg h ASP 90 N 0.00 -0.05 0.75 0.00 3.58 -1.86 -0.83 116.42 118.02 2kmg h ASP 90 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2kmg h ASP 90 Cb 0.06 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kmg h ASP 90 CO 0.00 0.52 0.00 0.00 -2.88 0.00 0.00 179.24 176.88 2kmg h ALA 91 N -0.82 1.00 0.05 -0.78 0.00 -1.88 -2.82 119.26 114.01 2kmg h ALA 91 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 91 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2kmg h ALA 91 CO 0.01 0.00 -1.99 0.00 0.00 0.00 0.00 179.25 177.27 2kmg n ALA 92 N -1.81 1.25 0.25 0.00 0.00 0.16 -3.91 120.51 116.45 2kmg n ALA 92 Ca 0.02 -0.80 0.17 0.00 0.00 0.00 0.00 53.44 52.83 2kmg n ALA 92 Cb 0.24 -0.62 0.90 0.00 0.00 0.00 0.00 19.45 19.97 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 2.45 0.00 1.64 0.00 0.00 -0.88 0.33 103.07 106.61 2kmg h GLY 93 Ca -0.40 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 2kmg h GLY 93 CO 0.06 0.00 -0.72 -2.22 0.00 0.00 0.00 176.54 173.66 2kmg h ILE 94 N 0.00 1.39 0.00 2.60 1.08 -1.67 -2.88 117.51 118.03 2kmg h ILE 94 Ca 0.00 -2.15 -0.15 0.00 -0.39 0.00 0.00 64.86 62.17 2kmg h ILE 94 Cb 0.00 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 2kmg h ILE 94 CO 0.00 0.64 -0.85 0.58 -0.69 0.00 0.00 178.15 177.84 2kmg h VAL 95 N 0.24 0.94 -0.04 1.67 2.07 -1.14 -2.86 116.25 117.13 2kmg h VAL 95 Ca -0.03 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.06 2kmg h VAL 95 Cb 1.29 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2kmg h VAL 95 CO 0.12 0.54 -0.07 0.00 0.02 0.00 0.00 177.57 178.17 2kmg h ALA 96 N 1.37 0.06 -0.21 1.67 0.00 -1.39 -2.51 119.26 118.25 2kmg h ALA 96 Ca -0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2kmg h ALA 96 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kmg h ALA 96 CO 0.07 -0.10 -0.47 0.00 0.00 0.00 0.00 179.25 178.76 2kmg h THR 97 N -0.40 1.31 -0.35 0.00 1.03 -1.64 -3.04 112.91 109.83 2kmg h THR 97 Ca 0.00 -1.69 0.04 0.00 -0.01 0.00 0.00 66.41 64.75 2kmg h THR 97 Cb 0.64 1.85 -0.04 0.00 -1.07 0.00 0.00 68.15 69.53 2kmg h THR 97 CO 0.02 0.53 0.11 -0.07 -0.01 0.00 0.00 175.52 176.10 2kmg h LEU 98 N 0.39 0.10 -1.83 0.00 3.38 -1.60 -1.31 115.31 114.44 2kmg h LEU 98 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2kmg h LEU 98 Cb 1.08 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2kmg h LEU 98 CO 0.10 0.09 0.15 -0.26 0.09 0.00 0.00 178.44 178.62 2kmg h PHE 99 N 0.25 0.22 -0.47 1.13 -1.00 -1.48 -1.90 116.94 113.69 2kmg h PHE 99 Ca 0.16 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.84 2kmg h PHE 99 Cb 0.15 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 2kmg h PHE 99 CO -0.15 0.13 -0.13 0.00 -1.61 0.00 0.00 178.31 176.55 2kmg h ALA 100 N 1.87 0.65 -0.84 2.45 0.00 -1.13 -3.04 119.26 119.21 2kmg h ALA 100 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2kmg h ALA 100 Cb 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2kmg h ALA 100 CO -0.02 0.57 0.53 -0.07 0.00 0.00 0.00 179.25 180.26 2kmg h LEU 101 N 0.76 0.86 -1.23 0.00 3.38 -0.77 -1.27 115.31 117.05 2kmg h LEU 101 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2kmg h LEU 101 Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2kmg h LEU 101 CO 0.05 0.58 -0.03 1.23 0.09 0.00 0.00 178.44 180.36 2kmg h GLY 102 N 1.01 0.53 0.34 0.83 0.00 -1.42 -2.27 103.07 102.09 2kmg h GLY 102 Ca 0.35 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2kmg h GLY 102 CO -0.14 0.30 -0.22 -1.61 0.00 0.00 0.00 176.54 174.87 2kmg h GLN 103 N 0.47 0.12 -0.51 4.80 4.15 -1.30 -2.88 115.11 119.96 2kmg h GLN 103 Ca 0.10 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.44 2kmg h GLN 103 Cb 0.36 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2kmg h GLN 103 CO 0.01 0.95 0.34 -0.07 -1.93 0.00 0.00 178.83 178.14 2kmg h LEU 104 N -0.64 0.34 -0.48 -2.39 3.38 -1.23 0.40 115.31 114.68 2kmg h LEU 104 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2kmg h LEU 104 Cb 1.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2kmg h LEU 104 CO 0.04 0.22 -0.76 0.00 0.09 0.00 0.00 178.44 178.03 2kmg h ALA 105 N 1.73 0.74 0.00 1.53 0.00 -1.47 -3.15 119.26 118.64 2kmg h ALA 105 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kmg h ALA 105 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kmg h ALA 105 CO -0.06 0.93 -0.71 0.00 0.00 0.00 0.00 179.25 179.41 2kmg n ALA 106 N -2.41 3.18 -0.10 0.00 0.00 -0.25 -4.08 120.51 116.85 2kmg n ALA 106 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 2kmg n ALA 106 Cb 0.73 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 0.00 0.72 -5.89 0.00 4.81 -0.25 -3.41 114.58 110.57 2kmg h GLU 107 Ca 0.00 -0.36 -0.60 0.00 -0.13 0.00 0.00 59.36 58.27 2kmg h GLU 107 Cb 0.69 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 2kmg h GLU 107 CO 0.00 0.97 0.50 0.96 -0.73 0.00 0.00 179.01 180.71 2kmg s ILE 108 N -4.45 4.74 -0.95 2.32 -4.36 -1.24 -4.90 121.20 112.35 2kmg s ILE 108 Ca -0.12 1.33 0.13 0.00 -0.26 0.00 0.00 60.65 61.73 2kmg s ILE 108 Cb 0.09 -4.20 0.11 0.00 1.25 0.00 0.00 42.46 39.71 2kmg s ILE 108 CO 0.83 -0.28 1.40 0.00 0.24 0.00 0.00 174.94 177.12 2kmg n ALA 109 N 6.33 1.53 -2.64 2.27 0.00 -1.26 -4.66 120.51 122.07 2kmg n ALA 109 Ca 0.06 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2kmg n ALA 109 Cb 0.48 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kmg s ASP 110 N -3.11 7.18 -0.01 0.00 1.11 -1.26 -4.91 116.67 115.67 2kmg s ASP 110 Ca 0.05 1.54 0.02 0.00 0.18 0.00 0.00 52.55 54.35 2kmg s ASP 110 Cb 0.08 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.59 2kmg s ASP 110 CO 0.22 -0.53 0.96 0.35 1.18 0.00 0.00 175.17 177.36 2kmg n THR 111 N 4.76 0.14 -0.03 -1.27 -2.24 -1.26 -3.07 114.28 111.30 2kmg n THR 111 Ca 0.10 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2kmg n THR 111 Cb 0.48 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 2kmg n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kmg h ASP 112 N 0.44 -0.03 0.05 3.42 3.32 -1.94 -3.39 116.42 118.29 2kmg h ASP 112 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kmg h ASP 112 Cb 0.23 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2kmg h ASP 112 CO 0.01 0.53 -0.57 0.00 -1.72 0.00 0.00 179.24 177.49 2kmg n ALA 113 N -2.75 3.78 0.43 3.45 0.00 -1.25 -4.18 120.51 119.99 2kmg n ALA 113 Ca -0.02 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 52.88 2kmg n ALA 113 Cb 0.09 -0.85 0.24 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.53 1.57 0.06 0.00 0.00 -1.17 -1.73 120.51 118.70 2kmg n ALA 114 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2kmg n ALA 114 Cb 0.41 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.38 0.15 -0.07 0.00 9.92 -1.26 -4.53 116.55 119.37 2kmg n ASP 115 Ca 0.04 -0.57 -0.12 0.00 -0.53 0.00 0.00 54.79 53.60 2kmg n ASP 115 Cb 0.10 0.92 -0.09 0.00 -0.64 0.00 0.00 41.12 41.41 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kmg h ALA 116 N 0.19 0.06 0.00 2.24 0.00 -1.53 -3.31 119.26 116.91 2kmg h ALA 116 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kmg h ALA 116 Cb 0.03 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kmg h ALA 116 CO 0.00 0.19 0.00 1.37 0.00 0.00 0.00 179.25 180.81 2kmg h LEU 117 N -1.00 0.00 -1.41 0.00 -0.00 -1.80 -1.47 115.31 109.63 2kmg h LEU 117 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.75 2kmg h LEU 117 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2kmg h LEU 117 CO -0.05 0.00 -0.25 0.40 -0.00 0.00 0.00 178.44 178.54 2kmg h ILE 118 N 0.00 1.20 -0.93 0.15 1.08 -1.80 -2.70 117.51 114.52 2kmg h ILE 118 Ca 0.00 -0.95 0.14 0.00 -0.39 0.00 0.00 64.86 63.66 2kmg h ILE 118 Cb 0.20 1.45 -0.09 0.00 -3.07 0.00 0.00 36.82 35.31 2kmg h ILE 118 CO 0.00 0.28 0.54 0.44 -0.69 0.00 0.00 178.15 178.71 2kmg h ASP 119 N 0.06 0.73 -0.77 1.72 5.19 -1.39 -0.22 116.42 121.74 2kmg h ASP 119 Ca 0.01 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2kmg h ASP 119 Cb 0.48 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.90 2kmg h ASP 119 CO 0.03 0.34 0.44 0.03 -3.12 0.00 0.00 179.24 176.97 2kmg h ARG 120 N 0.79 1.07 -0.11 3.56 -0.00 -1.66 -2.06 114.38 115.97 2kmg h ARG 120 Ca 0.49 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.86 2kmg h ARG 120 Cb 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 29.97 30.36 2kmg h ARG 120 CO -0.32 0.77 0.05 -0.92 0.00 0.00 0.00 179.97 179.54 2kmg h TYR 121 N 1.08 0.17 0.00 3.04 5.03 -1.14 -1.49 116.97 123.65 2kmg h TYR 121 Ca 0.28 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.56 2kmg h TYR 121 Cb -0.00 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 2kmg h TYR 121 CO 0.01 0.25 -0.06 0.45 -1.32 0.00 0.00 178.16 177.49 2kmg h HIS 122 N 0.03 0.00 0.12 -3.82 3.86 -1.18 -0.27 115.15 113.90 2kmg h HIS 122 Ca 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2kmg h HIS 122 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2kmg h HIS 122 CO -0.02 0.06 -0.06 0.74 0.86 0.00 0.00 177.93 179.51 2kmg h PHE 123 N 0.00 -0.15 -0.41 2.45 0.04 -0.89 -3.21 116.94 114.76 2kmg h PHE 123 Ca -0.00 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2kmg h PHE 123 Cb 0.12 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2kmg h PHE 123 CO 0.00 0.33 0.13 1.25 -0.60 0.00 0.00 178.31 179.42 2kmg h LEU 124 N -0.82 0.60 -1.20 1.54 5.85 -1.11 -2.76 115.31 117.40 2kmg h LEU 124 Ca -0.02 -0.20 0.29 0.00 0.84 0.00 0.00 57.88 58.80 2kmg h LEU 124 Cb 0.55 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.31 2kmg h LEU 124 CO 0.03 0.64 0.66 -0.09 -0.34 0.00 0.00 178.44 179.33 2kmg h ARG 125 N 0.52 0.38 -0.11 1.25 2.43 -1.16 0.35 114.38 118.04 2kmg h ARG 125 Ca 0.13 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 2kmg h ARG 125 Cb 0.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2kmg h ARG 125 CO -0.01 0.25 -0.42 0.78 -1.51 0.00 0.00 179.97 179.07 2kmg h GLY 126 N 0.39 0.27 2.00 2.80 0.00 -1.49 -2.86 103.07 104.18 2kmg h GLY 126 Ca 0.67 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.63 2kmg h GLY 126 CO -0.42 0.24 -0.49 -2.75 0.00 0.00 0.00 176.54 173.12 2kmg h PHE 127 N 0.21 0.00 0.00 5.60 3.57 -0.34 -2.98 116.94 123.00 2kmg h PHE 127 Ca 0.02 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2kmg h PHE 127 Cb 0.83 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 2kmg h PHE 127 CO 0.02 0.49 -0.12 0.00 -2.23 0.00 0.00 178.31 176.46 2kmg h ALA 128 N 1.51 1.52 0.00 2.41 0.00 -1.12 -1.30 119.26 122.29 2kmg h ALA 128 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2kmg h ALA 128 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kmg h ALA 128 CO 0.06 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 179.29 2kmg h ALA 129 N 1.88 1.01 0.00 0.00 0.00 -1.57 -2.73 119.26 117.85 2kmg h ALA 129 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kmg h ALA 129 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kmg h ALA 129 CO 0.02 0.21 -0.45 0.41 0.00 0.00 0.00 179.25 179.43 2kmg n GLY 130 N 0.16 -1.29 3.77 0.00 0.00 -0.50 -4.75 105.19 102.57 2kmg n GLY 130 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.01 2.56 -0.70 1.61 3.76 -1.03 -4.90 115.29 113.58 2kmg s HIS 131 Ca 0.11 1.54 0.16 0.00 -0.15 0.00 0.00 55.06 56.72 2kmg s HIS 131 Cb 0.17 -3.30 0.72 0.00 1.11 0.00 0.00 32.58 31.27 2kmg s HIS 131 CO 0.68 -1.79 1.49 -0.35 -0.85 0.00 0.00 174.74 173.92 2kmg n PRO 132 N -1.76 0.09 -0.41 8.40 -0.04 -1.26 -1.70 135.00 138.31 2kmg n PRO 132 Ca 0.12 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 64.07 2kmg n PRO 132 Cb 0.51 -1.70 0.16 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.87 1.30 -0.33 0.54 -0.58 -1.26 -4.82 120.64 113.62 2kmg n GLU 133 Ca 0.02 -2.82 0.16 0.00 -0.42 0.00 0.00 57.16 54.09 2kmg n GLU 133 Cb 0.13 -1.43 0.32 0.00 -0.57 0.00 0.00 31.44 29.89 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kmg h ALA 134 N 0.52 1.28 -0.62 0.62 0.00 -1.45 0.73 119.26 120.34 2kmg h ALA 134 Ca -0.01 0.31 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2kmg h ALA 134 Cb 1.06 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 2kmg h ALA 134 CO 0.01 -0.59 0.34 0.00 0.00 0.00 0.00 179.25 179.00 2kmg h ALA 135 N 1.94 0.82 -0.28 0.00 0.00 -1.86 -0.47 119.26 119.42 2kmg h ALA 135 Ca 0.61 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.38 2kmg h ALA 135 Cb 1.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kmg h ALA 135 CO -0.85 0.01 -0.48 0.00 0.00 0.00 0.00 179.25 177.92 2kmg h ALA 136 N 1.33 0.63 0.20 0.00 0.00 -0.02 -2.89 119.26 118.51 2kmg h ALA 136 Ca 0.28 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kmg h ALA 136 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kmg h ALA 136 CO -0.18 0.68 -0.10 0.82 0.00 0.00 0.00 179.25 180.47 2kmg h ILE 137 N 0.59 0.89 -0.39 0.00 2.04 -0.46 0.17 117.51 120.35 2kmg h ILE 137 Ca 0.03 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2kmg h ILE 137 Cb 1.05 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2kmg h ILE 137 CO 0.10 0.15 0.07 0.10 0.00 0.00 0.00 178.15 178.57 2kmg h TYR 138 N -0.62 0.59 0.00 1.37 -0.00 -1.20 -1.83 116.97 115.29 2kmg h TYR 138 Ca -0.03 -0.04 -0.19 0.00 -0.00 0.00 0.00 58.73 58.47 2kmg h TYR 138 Cb 0.45 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 36.99 2kmg h TYR 138 CO 0.03 0.53 -0.86 0.07 -0.00 0.00 0.00 178.16 177.93 2kmg h ARG 139 N 0.57 0.14 -0.41 0.10 0.11 -1.52 0.12 114.38 113.48 2kmg h ARG 139 Ca 0.13 -0.15 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 2kmg h ARG 139 Cb 0.25 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 2kmg h ARG 139 CO -0.00 0.91 0.01 0.00 0.10 0.00 0.00 179.97 180.99 2kmg h ALA 140 N 1.03 1.24 0.00 0.08 0.00 -0.23 -2.51 119.26 118.88 2kmg h ALA 140 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kmg h ALA 140 Cb 1.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kmg h ALA 140 CO 0.13 0.51 -0.86 0.44 0.00 0.00 0.00 179.25 179.47 2kmg n ILE 141 N -4.25 0.07 0.00 0.00 -5.35 -0.76 -4.35 119.36 104.73 2kmg n ILE 141 Ca 0.02 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2kmg n ILE 141 Cb 0.27 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12