#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 6.40 0.04 7.83 0.01 -1.26 -5.01 114.94 122.94 2kmg s ASN 2 Ca 0.00 0.37 0.22 0.00 -0.71 0.00 0.00 52.86 52.75 2kmg s ASN 2 Cb 0.00 -2.00 -0.21 0.00 0.41 0.00 0.00 41.25 39.45 2kmg s ASN 2 CO 0.00 0.04 0.69 0.41 -1.51 0.00 0.00 177.10 176.74 2kmg n THR 3 N -0.25 0.17 -4.76 1.60 -1.04 -1.26 -4.91 114.28 103.83 2kmg n THR 3 Ca -0.05 -0.46 -0.33 0.00 -2.04 0.00 0.00 64.05 61.17 2kmg n THR 3 Cb 0.53 -0.01 -0.12 0.00 -1.82 0.00 0.00 70.33 68.91 2kmg n THR 3 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2kmg s GLU 4 N -3.42 2.74 0.06 -2.82 2.12 -1.26 -5.12 118.70 111.00 2kmg s GLU 4 Ca -0.04 -0.63 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 2kmg s GLU 4 Cb 0.13 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 2kmg s GLU 4 CO 0.87 0.58 0.07 -1.21 -0.54 0.00 0.00 175.26 175.02 2kmg s GLU 5 N -0.59 0.66 0.12 4.30 2.02 -1.26 -5.15 118.70 118.79 2kmg s GLU 5 Ca 0.09 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.10 2kmg s GLU 5 Cb -0.11 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 2kmg s GLU 5 CO 0.01 -0.16 -0.03 1.14 0.02 0.00 0.00 175.26 176.24 2kmg s GLN 6 N -3.45 0.90 0.00 1.61 -2.07 -1.26 -5.10 119.66 110.30 2kmg s GLN 6 Ca 0.02 -1.39 0.00 0.00 -1.82 0.00 0.00 55.36 52.17 2kmg s GLN 6 Cb 0.04 -0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 2kmg s GLN 6 CO -0.08 -0.08 0.79 -2.30 -1.32 0.00 0.00 175.29 172.30 2kmg n PRO 7 N -0.09 0.00 -2.01 9.60 -0.02 -1.26 -4.41 135.00 136.81 2kmg n PRO 7 Ca -0.10 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2kmg n PRO 7 Cb 0.62 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.78 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 -2.17 3.50 -0.00 -1.45 1.01 -1.26 -4.93 120.40 115.09 2kmg s VAL 8 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2kmg s VAL 8 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2kmg s VAL 8 CO 0.00 -0.05 -0.02 0.42 0.00 0.00 0.00 175.10 175.46 2kmg s THR 9 N 3.68 0.15 0.74 3.92 -4.23 -1.26 -4.91 115.64 113.73 2kmg s THR 9 Ca 0.73 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 2kmg s THR 9 Cb -0.34 -0.15 0.07 0.00 1.34 0.00 0.00 72.50 73.42 2kmg s THR 9 CO 0.30 0.06 1.06 0.00 -0.54 0.00 0.00 174.62 175.50 2kmg s ALA 10 N 0.08 3.03 0.11 3.99 0.00 -1.26 -0.86 121.76 126.85 2kmg s ALA 10 Ca -0.01 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 2kmg s ALA 10 Cb -0.02 -2.67 0.05 0.00 0.00 0.00 0.00 23.12 20.48 2kmg s ALA 10 CO -0.00 -1.43 0.51 0.45 0.00 0.00 0.00 175.76 175.29 2kmg s SER 11 N -4.55 -0.43 -0.20 0.00 0.15 -0.91 -4.90 113.70 102.86 2kmg s SER 11 Ca 0.61 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 57.03 2kmg s SER 11 Cb -0.10 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2kmg s SER 11 CO 0.46 -0.85 0.59 -0.76 1.20 0.00 0.00 173.24 173.88 2kmg s LEU 12 N -2.50 4.14 0.40 3.45 1.43 -1.26 0.01 118.68 124.35 2kmg s LEU 12 Ca -0.01 0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 53.72 2kmg s LEU 12 Cb 0.00 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.32 2kmg s LEU 12 CO -0.09 -0.24 0.82 -0.69 0.23 0.00 0.00 176.35 176.38 2kmg s VAL 13 N 1.85 4.66 0.73 -1.59 1.01 -1.12 -4.93 120.40 121.01 2kmg s VAL 13 Ca 0.27 0.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.02 2kmg s VAL 13 Cb -0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2kmg s VAL 13 CO 0.10 -0.42 0.95 0.00 0.00 0.00 0.00 175.10 175.73 2kmg n ALA 14 N -0.98 -0.33 0.12 5.51 0.00 -1.26 -4.74 120.51 118.83 2kmg n ALA 14 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 2kmg n ALA 14 Cb 0.54 -2.10 0.19 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.31 0.12 -0.01 0.00 4.11 -1.99 0.13 114.58 116.63 2kmg h GLU 15 Ca -0.47 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2kmg h GLU 15 Cb 1.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2kmg h GLU 15 CO 0.46 0.63 -0.07 0.00 0.07 0.00 0.00 179.01 180.10 2kmg n ALA 16 N -2.45 2.73 0.00 1.06 0.00 -1.26 -3.88 120.51 116.70 2kmg n ALA 16 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2kmg n ALA 16 Cb 0.56 -1.22 0.00 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 -0.29 3.30 0.22 0.00 1.13 -1.08 -4.66 117.38 115.99 2kmg n GLN 17 Ca 0.17 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.32 2kmg n GLN 17 Cb 0.32 -0.73 0.48 0.00 0.11 0.00 0.00 30.24 30.41 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 -0.85 -1.24 114.38 111.30 2kmg h ARG 18 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2kmg h ARG 18 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kmg h ARG 18 CO 0.00 0.26 -0.10 1.37 0.10 0.00 0.00 179.97 181.60 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 -0.00 -1.83 -2.91 115.31 110.65 2kmg h LEU 19 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kmg h LEU 19 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2kmg h LEU 19 CO 0.03 0.10 -0.73 -0.67 -0.00 0.00 0.00 178.44 177.17 2kmg n ASP 20 N -3.22 0.77 -0.04 0.17 2.03 -1.03 -4.50 116.55 110.73 2kmg n ASP 20 Ca 0.01 -0.71 -0.16 0.00 0.52 0.00 0.00 54.79 54.45 2kmg n ASP 20 Cb 0.37 1.07 -0.07 0.00 -0.72 0.00 0.00 41.12 41.77 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 0.84 0.08 -0.67 3.57 -1.03 -1.85 116.94 117.88 2kmg h PHE 21 Ca 0.00 -0.34 0.01 0.00 3.53 0.00 0.00 57.97 61.17 2kmg h PHE 21 Cb 0.34 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2kmg h PHE 21 CO 0.00 1.13 -0.15 1.25 -2.23 0.00 0.00 178.31 178.31 2kmg h LEU 22 N 0.31 -0.41 -0.86 0.59 7.12 -1.77 -0.10 115.31 120.18 2kmg h LEU 22 Ca -0.02 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2kmg h LEU 22 Cb 1.16 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 2kmg h LEU 22 CO 0.11 -0.22 0.00 1.55 -0.13 0.00 0.00 178.44 179.75 2kmg h PRO 23 N -0.29 0.00 0.12 5.25 0.13 -1.70 0.12 132.00 135.63 2kmg h PRO 23 Ca 0.02 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.86 2kmg h PRO 23 Cb 0.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 2kmg h PRO 23 CO -0.09 0.00 -1.42 1.15 -0.23 0.00 0.00 178.00 177.41 2kmg h THR 24 N 0.00 1.29 0.00 1.56 2.02 -0.64 -1.27 112.91 115.87 2kmg h THR 24 Ca 0.00 -2.90 -0.08 0.00 0.77 0.00 0.00 66.41 64.21 2kmg h THR 24 Cb 0.51 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2kmg h THR 24 CO 0.00 0.84 -2.00 -1.22 0.37 0.00 0.00 175.52 173.51 2kmg n TYR 25 N -3.48 0.00 -0.07 3.16 4.02 -0.11 -4.63 117.16 116.04 2kmg n TYR 25 Ca -0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.65 2kmg n TYR 25 Cb 1.04 -0.56 -0.07 0.00 -0.02 0.00 0.00 39.34 39.73 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2kmg n PHE 26 N -2.31 0.00 0.00 -0.72 7.35 0.42 -5.02 117.46 117.19 2kmg n PHE 26 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2kmg n PHE 26 Cb 0.66 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 39.92 2kmg n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kmg n GLY 27 N 2.71 4.81 0.25 7.13 0.00 -0.56 -4.67 105.19 114.85 2kmg n GLY 27 Ca -0.27 -1.02 0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 1.61 0.13 -1.66 -0.84 132.00 131.24 2kmg h PRO 28 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 2kmg h PRO 28 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2kmg h PRO 28 CO 0.00 0.00 -2.27 -2.13 -0.23 0.00 0.00 178.00 173.37 2kmg n ARG 29 N -2.65 0.76 0.02 0.86 0.00 -1.26 -4.53 116.66 109.86 2kmg n ARG 29 Ca -0.02 0.08 -0.07 0.00 -0.00 0.00 0.00 57.85 57.84 2kmg n ARG 29 Cb 0.06 -1.45 0.10 0.00 0.00 0.00 0.00 32.46 31.17 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 0.00 0.51 -0.72 6.15 4.07 -1.71 -3.28 115.31 120.33 2kmg h LEU 30 Ca -0.50 -0.25 0.28 0.00 0.08 0.00 0.00 57.88 57.49 2kmg h LEU 30 Cb 1.90 -0.14 -0.13 0.00 1.08 0.00 0.00 40.66 43.36 2kmg h LEU 30 CO -0.04 0.92 0.29 1.15 -1.08 0.00 0.00 178.44 179.68 2kmg n MET 31 N -3.98 -0.05 -0.05 1.13 0.00 -0.37 0.18 117.12 113.98 2kmg n MET 31 Ca -0.02 1.02 -0.20 0.00 0.00 0.00 0.00 57.70 58.49 2kmg n MET 31 Cb 0.56 -1.78 -0.13 0.00 0.00 0.00 0.00 33.22 31.88 2kmg n MET 31 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2kmg h MET 32 N 0.00 0.11 0.00 3.17 2.86 -1.86 -2.57 114.93 116.63 2kmg h MET 32 Ca 0.57 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2kmg h MET 32 Cb 1.44 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.16 2kmg h MET 32 CO -0.59 1.09 0.00 0.54 1.06 0.00 0.00 176.91 179.01 2kmg n ARG 33 N -4.21 0.23 -0.07 1.72 5.12 0.87 -2.43 116.66 117.89 2kmg n ARG 33 Ca -0.26 0.13 -0.14 0.00 -1.93 0.00 0.00 57.85 55.65 2kmg n ARG 33 Cb 0.76 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.50 2kmg n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kmg n GLY 34 N 0.11 -0.22 0.32 -0.13 0.00 0.47 -4.19 105.19 101.55 2kmg n GLY 34 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 0.78 0.00 1.61 4.11 -1.48 -0.39 114.58 118.84 2kmg h GLU 35 Ca -0.35 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 58.96 2kmg h GLU 35 Cb 1.37 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kmg h GLU 35 CO -0.17 0.55 -0.26 0.00 0.07 0.00 0.00 179.01 179.20 2kmg h ALA 36 N 1.58 1.02 0.15 1.06 0.00 -1.72 -2.97 119.26 118.38 2kmg h ALA 36 Ca 0.21 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2kmg h ALA 36 Cb -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kmg h ALA 36 CO -0.04 0.33 -1.28 1.25 0.00 0.00 0.00 179.25 179.51 2kmg h LEU 37 N 0.00 0.51 -0.40 0.00 5.85 -1.28 -2.52 115.31 117.48 2kmg h LEU 37 Ca -0.00 -0.55 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 2kmg h LEU 37 Cb 0.79 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2kmg h LEU 37 CO 0.03 1.42 -0.13 -0.37 -0.34 0.00 0.00 178.44 179.06 2kmg h VAL 38 N 0.09 1.28 0.00 1.05 -1.51 -1.23 -2.69 116.25 113.24 2kmg h VAL 38 Ca -0.16 -1.24 -0.05 0.00 -1.23 0.00 0.00 66.70 64.03 2kmg h VAL 38 Cb 2.00 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 2kmg h VAL 38 CO 0.22 0.41 -0.23 0.10 -1.23 0.00 0.00 177.57 176.84 2kmg h TYR 39 N 0.60 0.00 -0.73 5.19 -0.00 -1.63 -2.62 116.97 117.77 2kmg h TYR 39 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.78 2kmg h TYR 39 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.36 2kmg h TYR 39 CO 0.05 0.23 0.27 0.00 -0.00 0.00 0.00 178.16 178.71 2kmg h ALA 40 N 1.77 1.08 0.11 0.10 0.00 -1.11 -1.41 119.26 119.80 2kmg h ALA 40 Ca -0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 2kmg h ALA 40 Cb 0.86 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kmg h ALA 40 CO 0.03 0.64 -1.22 -1.49 0.00 0.00 0.00 179.25 177.21 2kmg h TRP 41 N 1.08 0.41 -0.18 0.00 4.06 -1.44 -3.26 115.95 116.63 2kmg h TRP 41 Ca 0.24 -0.30 -0.05 0.00 2.06 0.00 0.00 58.89 60.84 2kmg h TRP 41 Cb 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 2kmg h TRP 41 CO 0.02 1.24 -0.12 1.98 -3.56 0.00 0.00 178.44 178.00 2kmg h MET 42 N 0.06 0.28 0.00 0.49 4.05 -1.20 -2.10 114.93 116.51 2kmg h MET 42 Ca -0.12 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2kmg h MET 42 Cb 1.94 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 2kmg h MET 42 CO 0.19 0.41 -0.17 2.89 0.23 0.00 0.00 176.91 180.46 2kmg n ARG 43 N -4.27 0.13 -0.08 0.39 -4.01 -0.55 -3.99 116.66 104.27 2kmg n ARG 43 Ca -0.00 0.08 -0.15 0.00 -1.04 0.00 0.00 57.85 56.74 2kmg n ARG 43 Cb 0.27 -1.63 -0.09 0.00 -3.04 0.00 0.00 32.46 27.98 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 -0.66 2.89 3.08 -1.43 -3.35 114.38 114.91 2kmg h ARG 44 Ca 0.00 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.24 2kmg h ARG 44 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2kmg h ARG 44 CO 0.00 0.72 0.83 -0.07 -1.07 0.00 0.00 179.97 180.37 2kmg h LEU 45 N -1.00 0.00 -8.02 3.04 3.38 -1.59 -3.36 115.31 107.76 2kmg h LEU 45 Ca -0.17 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.28 2kmg h LEU 45 Cb 0.95 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.37 2kmg h LEU 45 CO -0.10 0.00 -0.82 0.00 0.09 0.00 0.00 178.44 177.61 2kmg h GLU 47 N 6.94 0.00 -1.69 0.00 9.09 -1.80 -3.12 114.58 123.99 2kmg h GLU 47 Ca -0.30 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.44 2kmg h GLU 47 Cb 1.19 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 27.95 2kmg h GLU 47 CO 0.47 0.34 0.18 0.54 0.05 0.00 0.00 179.01 180.59 2kmg n ARG 48 N -3.57 3.09 -3.83 1.06 1.74 -1.26 -4.92 116.66 108.97 2kmg n ARG 48 Ca -0.00 -3.98 -0.34 0.00 -0.77 0.00 0.00 57.85 52.75 2kmg n ARG 48 Cb 0.47 -2.26 -0.12 0.00 -1.02 0.00 0.00 32.46 29.53 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 -3.81 3.51 -0.06 -1.55 6.14 -1.18 -4.94 117.35 115.46 2kmg s TYR 49 Ca 0.51 -2.73 -0.24 0.00 0.64 0.00 0.00 57.07 55.25 2kmg s TYR 49 Cb 0.42 -3.10 -0.26 0.00 0.42 0.00 0.00 41.96 39.44 2kmg s TYR 49 CO -0.28 -0.90 0.97 -0.91 0.64 0.00 0.00 175.55 175.07 2kmg h ASN 50 N 7.45 0.29 -0.26 4.32 -0.26 -1.91 -3.43 115.58 121.77 2kmg h ASN 50 Ca -0.07 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 54.82 2kmg h ASN 50 Cb 0.99 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 2kmg h ASN 50 CO 0.67 1.11 0.00 0.61 -1.06 0.00 0.00 177.43 178.76 2kmg n GLY 51 N 1.28 -1.38 4.00 2.83 0.00 -1.26 -5.03 105.19 105.63 2kmg n GLY 51 Ca -0.11 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.09 -2.58 -0.79 4.61 0.00 -1.26 -4.95 121.76 115.70 2kmg s ALA 52 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 2kmg s ALA 52 Cb 0.00 0.91 0.09 0.00 0.00 0.00 0.00 23.12 24.12 2kmg s ALA 52 CO 0.00 -1.16 1.08 0.71 0.00 0.00 0.00 175.76 176.39 2kmg s TYR 53 N -2.02 2.79 -1.12 0.00 2.02 -1.26 -4.71 117.35 113.05 2kmg s TYR 53 Ca 0.30 -0.85 -0.23 0.00 -0.37 0.00 0.00 57.07 55.93 2kmg s TYR 53 Cb -0.00 -4.35 -0.11 0.00 -0.40 0.00 0.00 41.96 37.10 2kmg s TYR 53 CO -0.01 -1.64 1.94 0.91 -1.57 0.00 0.00 175.55 175.17 2kmg n TRP 54 N 7.50 2.51 -1.62 2.71 8.01 -1.25 -2.02 117.44 133.29 2kmg n TRP 54 Ca 0.10 -1.44 -0.48 0.00 -1.31 0.00 0.00 57.50 54.37 2kmg n TRP 54 Cb 0.47 -2.49 -0.04 0.00 -2.01 0.00 0.00 31.31 27.25 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 13.73 1.68 -2.85 -5.99 8.25 0.87 -4.44 115.22 126.47 2kmg n HIS 55 Ca 0.45 0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 58.06 2kmg n HIS 55 Cb 0.46 -2.37 -0.04 0.00 1.12 0.00 0.00 29.99 29.16 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 0.06 3.46 -0.01 4.41 2.02 -1.26 -2.21 117.35 123.82 2kmg s TYR 56 Ca 0.74 1.34 0.05 0.00 -0.37 0.00 0.00 57.07 58.84 2kmg s TYR 56 Cb -0.79 -3.03 -0.03 0.00 -0.40 0.00 0.00 41.96 37.71 2kmg s TYR 56 CO 0.49 -0.20 -0.16 0.71 -1.57 0.00 0.00 175.55 174.82 2kmg s TYR 57 N 1.95 2.63 -0.41 2.71 1.51 -0.08 -2.79 117.35 122.87 2kmg s TYR 57 Ca 0.41 -0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.18 2kmg s TYR 57 Cb -0.17 -1.56 0.08 0.00 -0.11 0.00 0.00 41.96 40.21 2kmg s TYR 57 CO 0.15 0.20 0.24 0.00 -1.11 0.00 0.00 175.55 175.03 2kmg s ALA 58 N -0.81 3.24 0.40 3.71 0.00 0.10 -1.98 121.76 126.43 2kmg s ALA 58 Ca 0.13 -2.20 -0.24 0.00 0.00 0.00 0.00 51.96 49.65 2kmg s ALA 58 Cb -0.11 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 2kmg s ALA 58 CO 0.03 -1.66 1.06 -0.51 0.00 0.00 0.00 175.76 174.67 2kmg s LEU 59 N 1.37 4.15 0.41 0.00 1.43 -1.19 -2.13 118.68 122.71 2kmg s LEU 59 Ca 0.03 2.06 0.12 0.00 -1.03 0.00 0.00 54.13 55.31 2kmg s LEU 59 Cb -0.23 -4.17 0.86 0.00 0.03 0.00 0.00 46.19 42.68 2kmg s LEU 59 CO 0.01 -0.50 1.93 -1.28 0.23 0.00 0.00 176.35 176.73 2kmg h SER 60 N 2.51 0.08 0.00 2.29 0.87 -1.33 -3.35 113.55 114.62 2kmg h SER 60 Ca -0.48 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2kmg h SER 60 Cb 1.22 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kmg h SER 60 CO 0.62 0.30 -0.01 0.47 -0.53 0.00 0.00 176.83 177.68 2kmg n ASP 61 N -4.25 0.00 -0.98 6.23 8.00 -1.26 -4.87 116.55 119.42 2kmg n ASP 61 Ca -0.02 -1.02 0.08 0.00 0.71 0.00 0.00 54.79 54.55 2kmg n ASP 61 Cb 0.29 -0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.00 2.81 5.97 0.44 0.00 -1.26 -4.83 105.19 108.33 2kmg n GLY 62 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N 0.80 2.35 0.00 -0.02 0.00 -1.26 -4.20 105.19 102.86 2kmg n GLY 63 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2kmg n GLY 63 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2kmg n PHE 64 N 0.00 0.00 -4.07 1.61 -1.74 -1.26 -3.16 117.46 108.84 2kmg n PHE 64 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.76 2kmg n PHE 64 Cb 0.00 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 40.89 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2kmg s TYR 65 N -1.26 0.68 0.02 2.97 1.13 -0.84 -4.92 117.35 115.14 2kmg s TYR 65 Ca 0.00 -0.52 0.05 0.00 -1.41 0.00 0.00 57.07 55.19 2kmg s TYR 65 Cb 0.00 -0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2kmg s TYR 65 CO 0.00 -0.09 -0.11 -1.64 -2.51 0.00 0.00 175.55 171.20 2kmg s MET 66 N -1.68 2.36 -0.03 -3.49 -1.94 -1.26 -0.90 119.30 112.35 2kmg s MET 66 Ca -0.09 -0.83 -0.02 0.00 -1.71 0.00 0.00 55.69 53.03 2kmg s MET 66 Cb -0.09 -2.38 0.02 0.00 2.01 0.00 0.00 34.83 34.39 2kmg s MET 66 CO 0.00 0.57 0.08 0.00 -0.01 0.00 0.00 175.02 175.67 2kmg s ALA 67 N -0.98 -0.16 0.93 3.03 0.00 -0.94 -4.46 121.76 119.19 2kmg s ALA 67 Ca 0.16 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 2kmg s ALA 67 Cb -0.11 -0.21 0.15 0.00 0.00 0.00 0.00 23.12 22.96 2kmg s ALA 67 CO 0.07 -0.07 1.10 -1.25 0.00 0.00 0.00 175.76 175.61 2kmg s PRO 68 N 0.42 0.90 -0.75 0.00 0.04 -1.25 -0.09 135.00 134.27 2kmg s PRO 68 Ca -0.03 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2kmg s PRO 68 Cb -0.05 -1.74 0.19 0.00 0.04 0.00 0.00 34.50 32.94 2kmg s PRO 68 CO -0.02 -2.60 0.60 0.34 0.04 0.00 0.00 177.00 175.37 2kmg s ASP 69 N -2.92 5.63 0.05 6.66 2.15 -0.86 -4.49 116.67 122.88 2kmg s ASP 69 Ca 0.65 -3.24 -0.06 0.00 0.43 0.00 0.00 52.55 50.34 2kmg s ASP 69 Cb -0.21 -1.89 -0.01 0.00 -0.30 0.00 0.00 42.92 40.50 2kmg s ASP 69 CO 0.59 -0.29 0.10 -0.76 -0.17 0.00 0.00 175.17 174.64 2kmg s LEU 70 N -0.63 1.79 1.03 -1.34 1.43 -1.26 -4.47 118.68 115.23 2kmg s LEU 70 Ca 0.22 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 2kmg s LEU 70 Cb -0.14 0.65 0.03 0.00 0.03 0.00 0.00 46.19 46.75 2kmg s LEU 70 CO -0.08 -0.55 -0.05 0.00 0.23 0.00 0.00 176.35 175.91 2kmg n ALA 71 N 0.59 -3.81 -1.95 4.21 0.00 -1.26 -4.24 120.51 114.05 2kmg n ALA 71 Ca -0.18 -0.97 -0.25 0.00 0.00 0.00 0.00 53.44 52.04 2kmg n ALA 71 Cb 0.59 -1.53 0.10 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.76 1.74 -0.34 0.00 0.00 -1.26 -3.78 107.32 101.92 2kmg s GLY 72 Ca 0.53 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 2kmg s GLY 72 CO 0.68 -0.74 0.18 0.54 0.00 0.00 0.00 173.10 173.76 2kmg n ARG 73 N -2.97 -3.10 -4.27 2.90 3.00 -1.26 -4.87 116.66 106.09 2kmg n ARG 73 Ca 0.11 2.55 -0.21 0.00 -0.01 0.00 0.00 57.85 60.29 2kmg n ARG 73 Cb 0.60 -5.34 -0.16 0.00 0.00 0.00 0.00 32.46 27.56 2kmg n ARG 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kmg s LEU 74 N -1.91 1.45 -0.30 0.55 1.43 -0.10 -4.88 118.68 114.92 2kmg s LEU 74 Ca 0.08 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2kmg s LEU 74 Cb -0.02 -0.52 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 2kmg s LEU 74 CO 0.76 -0.02 2.24 -0.62 0.23 0.00 0.00 176.35 178.94 2kmg n GLU 75 N 3.90 1.54 -3.85 1.70 1.02 -1.26 -0.35 120.64 123.34 2kmg n GLU 75 Ca -0.24 0.39 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 2kmg n GLU 75 Cb 0.51 -2.97 -0.16 0.00 -0.02 0.00 0.00 31.44 28.81 2kmg n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kmg s ILE 76 N 8.40 1.23 -0.61 -3.67 -1.09 -0.91 -4.64 121.20 119.91 2kmg s ILE 76 Ca 1.04 -1.25 -0.25 0.00 -2.23 0.00 0.00 60.65 57.96 2kmg s ILE 76 Cb -0.51 -1.70 0.04 0.00 -1.58 0.00 0.00 42.46 38.71 2kmg s ILE 76 CO 0.39 -0.33 1.03 -1.83 -1.23 0.00 0.00 174.94 172.97 2kmg s GLU 77 N 1.50 3.29 -0.93 2.79 -1.05 0.41 -2.33 118.70 122.38 2kmg s GLU 77 Ca 0.01 -0.30 -0.24 0.00 -0.15 0.00 0.00 54.97 54.30 2kmg s GLU 77 Cb -0.18 -4.10 0.05 0.00 -0.44 0.00 0.00 34.13 29.46 2kmg s GLU 77 CO -0.12 -1.68 1.36 0.08 0.95 0.00 0.00 175.26 175.85 2kmg s VAL 78 N 4.39 3.96 0.30 1.83 1.01 -0.69 -4.36 120.40 126.84 2kmg s VAL 78 Ca 0.31 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2kmg s VAL 78 Cb -0.12 -4.99 0.10 0.00 0.00 0.00 0.00 36.38 31.37 2kmg s VAL 78 CO 0.18 -1.86 1.78 -0.55 0.00 0.00 0.00 175.10 174.64 2kmg h ASN 79 N 9.76 0.47 -1.22 3.32 7.08 -1.90 0.68 115.58 133.76 2kmg h ASN 79 Ca 0.06 -0.13 0.35 0.00 -3.08 0.00 0.00 56.30 53.50 2kmg h ASN 79 Cb 1.02 -0.13 -0.05 0.00 -2.08 0.00 0.00 38.32 37.09 2kmg h ASN 79 CO 1.35 0.66 1.18 1.23 -2.08 0.00 0.00 177.43 179.78 2kmg h GLY 80 N 0.96 0.00 -0.32 9.14 0.00 -1.88 -2.23 103.07 108.74 2kmg h GLY 80 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2kmg h GLY 80 CO 0.04 0.00 -0.06 1.16 0.00 0.00 0.00 176.54 177.67 2kmg n ASN 81 N -3.51 0.00 -0.79 0.19 0.23 -1.11 -4.91 115.26 105.36 2kmg n ASN 81 Ca 0.27 -1.13 -0.10 0.00 -0.53 0.00 0.00 54.58 53.09 2kmg n ASN 81 Cb 1.56 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 39.19 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 1.13 3.56 4.83 0.00 0.21 -4.93 105.19 110.00 2kmg n GLY 82 Ca 0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.25 2.53 -0.56 1.61 5.36 0.32 -4.85 117.98 120.14 2kmg s PHE 83 Ca 0.00 -0.82 -0.28 0.00 -0.96 0.00 0.00 56.93 54.87 2kmg s PHE 83 Cb 0.00 -4.70 0.02 0.00 -0.34 0.00 0.00 43.02 38.01 2kmg s PHE 83 CO 0.00 -1.94 1.25 0.50 -1.46 0.00 0.00 175.22 173.57 2kmg s ARG 84 N 4.99 3.48 -0.15 10.12 3.52 -1.26 -1.71 118.95 137.95 2kmg s ARG 84 Ca 0.46 0.36 -0.23 0.00 -0.13 0.00 0.00 55.73 56.18 2kmg s ARG 84 Cb -0.00 -4.03 0.06 0.00 -1.56 0.00 0.00 34.95 29.41 2kmg s ARG 84 CO -0.09 -1.71 0.59 0.20 -0.81 0.00 0.00 175.30 173.47 2kmg s GLY 85 N 3.32 -0.45 -0.50 8.12 0.00 -0.98 -4.98 107.32 111.84 2kmg s GLY 85 Ca 0.47 1.41 -0.28 0.00 0.00 0.00 0.00 44.72 46.32 2kmg s GLY 85 CO 0.26 1.14 1.10 -0.54 0.00 0.00 0.00 173.10 175.06 2kmg s GLU 86 N -0.35 3.62 0.21 2.90 2.02 -1.26 -2.14 118.70 123.70 2kmg s GLU 86 Ca -0.05 0.38 0.10 0.00 0.02 0.00 0.00 54.97 55.42 2kmg s GLU 86 Cb -0.03 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2kmg s GLU 86 CO 0.04 -1.42 -0.15 -1.17 0.02 0.00 0.00 175.26 172.58 2kmg s LEU 87 N 4.39 2.75 0.60 1.80 2.96 0.53 -4.41 118.68 127.30 2kmg s LEU 87 Ca 0.44 -0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 53.46 2kmg s LEU 87 Cb -0.08 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 2kmg s LEU 87 CO 0.29 0.09 1.03 -0.44 -1.32 0.00 0.00 176.35 176.01 2kmg s SER 88 N -2.95 5.98 0.61 3.68 0.01 -1.26 -0.92 113.70 118.84 2kmg s SER 88 Ca 0.25 1.64 0.31 0.00 1.31 0.00 0.00 55.95 59.46 2kmg s SER 88 Cb -0.08 -2.51 1.82 0.00 0.21 0.00 0.00 66.02 65.46 2kmg s SER 88 CO 0.14 -1.03 2.17 0.00 0.41 0.00 0.00 173.24 174.93 2kmg h ALA 89 N 0.16 1.58 0.14 1.44 0.00 -1.74 0.17 119.26 121.02 2kmg h ALA 89 Ca -0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 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 0.59 -0.17 -0.07 0.22 0.00 0.00 0.00 179.25 179.82 2kmg h ASP 90 N 0.00 -0.16 0.65 0.00 1.82 -1.84 -1.52 116.42 115.37 2kmg h ASP 90 Ca 0.04 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2kmg h ASP 90 Cb 0.30 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2kmg h ASP 90 CO -0.00 0.40 0.00 0.00 -1.61 0.00 0.00 179.24 178.03 2kmg n ALA 91 N -2.69 1.68 0.00 -0.78 0.00 -1.01 -2.60 120.51 115.10 2kmg n ALA 91 Ca -0.05 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2kmg n ALA 91 Cb 0.19 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 2kmg n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 92 N -1.66 1.00 0.31 0.00 0.00 0.55 -3.86 120.51 116.85 2kmg n ALA 92 Ca 0.03 -0.62 0.20 0.00 0.00 0.00 0.00 53.44 53.05 2kmg n ALA 92 Cb 0.21 -0.71 1.07 0.00 0.00 0.00 0.00 19.45 20.02 2kmg n ALA 92 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kmg h GLY 93 N 1.55 0.00 0.90 0.00 0.00 -1.01 -0.65 103.07 103.86 2kmg h GLY 93 Ca -0.40 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2kmg h GLY 93 CO 0.09 0.00 -0.30 -2.22 0.00 0.00 0.00 176.54 174.11 2kmg h ILE 94 N 0.00 1.33 0.00 2.60 1.08 -1.66 -2.29 117.51 118.57 2kmg h ILE 94 Ca 0.00 -1.50 -0.02 0.00 -0.39 0.00 0.00 64.86 62.95 2kmg h ILE 94 Cb 0.10 1.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2kmg h ILE 94 CO 0.00 0.46 -0.09 0.58 -0.69 0.00 0.00 178.15 178.41 2kmg h VAL 95 N 0.27 0.19 0.00 1.67 2.07 -1.31 -2.12 116.25 117.03 2kmg h VAL 95 Ca 0.02 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2kmg h VAL 95 Cb 0.88 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2kmg h VAL 95 CO 0.07 0.09 -0.12 0.00 0.02 0.00 0.00 177.57 177.63 2kmg h ALA 96 N 1.91 0.01 -0.29 1.67 0.00 -1.24 -2.67 119.26 118.65 2kmg h ALA 96 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2kmg h ALA 96 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kmg h ALA 96 CO 0.01 -0.01 -0.53 0.00 0.00 0.00 0.00 179.25 178.73 2kmg h THR 97 N -0.68 1.28 -0.03 0.00 1.03 -1.46 -2.95 112.91 110.09 2kmg h THR 97 Ca -0.02 -1.71 0.01 0.00 -0.01 0.00 0.00 66.41 64.69 2kmg h THR 97 Cb 0.91 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.62 2kmg h THR 97 CO 0.02 0.56 -0.04 -0.07 -0.01 0.00 0.00 175.52 175.98 2kmg h LEU 98 N 0.64 -0.12 -1.47 0.00 3.38 -1.50 -1.80 115.31 114.45 2kmg h LEU 98 Ca 0.01 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2kmg h LEU 98 Cb 1.14 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2kmg h LEU 98 CO 0.12 -0.06 0.42 -0.26 0.09 0.00 0.00 178.44 178.75 2kmg h PHE 99 N -0.05 0.66 -0.57 1.13 -1.00 -1.51 -1.59 116.94 114.01 2kmg h PHE 99 Ca 0.03 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.72 2kmg h PHE 99 Cb 0.09 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 2kmg h PHE 99 CO -0.13 0.36 -0.06 0.00 -1.61 0.00 0.00 178.31 176.87 2kmg h ALA 100 N 1.65 0.82 -0.84 2.45 0.00 -1.25 -2.95 119.26 119.14 2kmg h ALA 100 Ca 0.27 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kmg h ALA 100 Cb 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2kmg h ALA 100 CO -0.08 0.67 0.53 -0.07 0.00 0.00 0.00 179.25 180.30 2kmg h LEU 101 N 0.93 0.85 -1.14 0.00 3.38 -0.45 -1.02 115.31 117.86 2kmg h LEU 101 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2kmg h LEU 101 Cb 0.62 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2kmg h LEU 101 CO 0.04 0.56 -0.25 1.23 0.09 0.00 0.00 178.44 180.12 2kmg h GLY 102 N 1.00 0.32 0.40 0.83 0.00 -1.35 -1.65 103.07 102.62 2kmg h GLY 102 Ca 0.35 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2kmg h GLY 102 CO -0.15 0.22 -0.22 -1.61 0.00 0.00 0.00 176.54 174.78 2kmg h GLN 103 N 0.27 0.14 -0.39 4.80 4.15 -1.23 -3.05 115.11 119.80 2kmg h GLN 103 Ca 0.04 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 2kmg h GLN 103 Cb 0.59 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 2kmg h GLN 103 CO 0.04 0.92 0.23 -0.07 -1.93 0.00 0.00 178.83 178.03 2kmg h LEU 104 N -0.57 0.47 -1.50 -2.39 3.38 -1.21 0.53 115.31 114.02 2kmg h LEU 104 Ca -0.03 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2kmg h LEU 104 Cb 1.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2kmg h LEU 104 CO 0.04 0.39 0.40 0.00 0.09 0.00 0.00 178.44 179.37 2kmg h ALA 105 N 1.10 1.78 -0.00 1.53 0.00 -1.41 -1.26 119.26 121.00 2kmg h ALA 105 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kmg h ALA 105 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kmg h ALA 105 CO -0.03 0.13 -0.70 0.00 0.00 0.00 0.00 179.25 178.66 2kmg n ALA 106 N -2.47 4.05 0.10 0.00 0.00 -0.96 -4.17 120.51 117.06 2kmg n ALA 106 Ca 0.08 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 2kmg n ALA 106 Cb 0.21 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 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 0.32 0.41 -6.56 0.00 4.81 0.12 -3.43 114.58 110.25 2kmg h GLU 107 Ca 0.00 -0.62 -0.56 0.00 -0.13 0.00 0.00 59.36 58.05 2kmg h GLU 107 Cb 0.52 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 2kmg h GLU 107 CO 0.00 1.27 0.98 0.96 -0.73 0.00 0.00 179.01 181.49 2kmg s ILE 108 N -2.83 4.11 -0.85 2.32 -4.36 -0.99 -4.94 121.20 113.66 2kmg s ILE 108 Ca -0.06 1.16 -0.25 0.00 -0.26 0.00 0.00 60.65 61.24 2kmg s ILE 108 Cb 0.07 -4.38 -0.06 0.00 1.25 0.00 0.00 42.46 39.34 2kmg s ILE 108 CO 0.90 -0.80 2.00 0.00 0.24 0.00 0.00 174.94 177.28 2kmg s ALA 109 N 4.74 1.60 0.00 2.27 0.00 -1.26 -4.78 121.76 124.32 2kmg s ALA 109 Ca 0.54 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2kmg s ALA 109 Cb -0.11 -4.53 0.01 0.00 0.00 0.00 0.00 23.12 18.49 2kmg s ALA 109 CO 0.30 -4.85 0.14 -0.40 0.00 0.00 0.00 175.76 170.94 2kmg n ASP 110 N 14.44 -0.15 -0.04 0.00 5.68 -1.26 -5.05 116.55 130.17 2kmg n ASP 110 Ca 0.39 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 2kmg n ASP 110 Cb 0.47 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 2kmg n ASP 110 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2kmg n THR 111 N -0.10 0.00 -0.08 2.12 5.66 -1.26 -4.69 114.28 115.92 2kmg n THR 111 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.86 2kmg n THR 111 Cb 0.07 0.91 -0.05 0.00 -1.55 0.00 0.00 70.33 69.70 2kmg n THR 111 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2kmg n ASP 112 N 0.00 1.69 -0.37 1.09 5.75 -1.26 -4.59 116.55 118.87 2kmg n ASP 112 Ca 0.00 0.28 0.14 0.00 -0.01 0.00 0.00 54.79 55.20 2kmg n ASP 112 Cb 0.52 -0.66 0.52 0.00 -1.03 0.00 0.00 41.12 40.46 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmg n ALA 113 N -4.16 2.72 1.17 2.12 0.00 -1.26 -3.59 120.51 117.51 2kmg n ALA 113 Ca -0.26 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 52.91 2kmg n ALA 113 Cb 0.59 -1.19 0.47 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.17 2.96 0.00 0.00 0.00 -1.26 -3.70 120.51 118.34 2kmg n ALA 114 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kmg n ALA 114 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.21 0.52 -0.03 0.00 8.00 -1.24 -4.47 116.55 118.12 2kmg n ASP 115 Ca 0.10 -0.44 -0.15 0.00 0.71 0.00 0.00 54.79 55.00 2kmg n ASP 115 Cb 0.32 0.99 -0.12 0.00 -0.02 0.00 0.00 41.12 42.29 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmg h ALA 116 N 0.00 0.00 0.00 2.24 0.00 -1.64 -3.28 119.26 116.59 2kmg h ALA 116 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kmg h ALA 116 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kmg h ALA 116 CO 0.00 0.06 0.00 1.37 0.00 0.00 0.00 179.25 180.68 2kmg h LEU 117 N -0.68 0.00 -2.03 0.00 -0.00 -1.85 -3.07 115.31 107.68 2kmg h LEU 117 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.96 2kmg h LEU 117 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.68 2kmg h LEU 117 CO 0.04 0.00 0.31 0.40 -0.00 0.00 0.00 178.44 179.18 2kmg h ILE 118 N 0.00 0.71 -0.47 0.15 1.08 -1.78 -1.13 117.51 116.07 2kmg h ILE 118 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 2kmg h ILE 118 Cb 0.66 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 2kmg h ILE 118 CO 0.00 0.00 0.19 0.44 -0.69 0.00 0.00 178.15 178.09 2kmg h ASP 119 N 0.00 0.22 -0.99 1.72 5.19 -1.69 -1.75 116.42 119.13 2kmg h ASP 119 Ca 0.19 0.05 0.18 0.00 -0.62 0.00 0.00 57.03 56.83 2kmg h ASP 119 Cb 0.80 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.22 2kmg h ASP 119 CO -0.00 0.16 0.61 0.03 -3.12 0.00 0.00 179.24 176.92 2kmg h ARG 120 N 0.38 0.72 0.19 3.56 2.47 -1.43 -0.69 114.38 119.58 2kmg h ARG 120 Ca 0.22 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2kmg h ARG 120 Cb 0.20 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2kmg h ARG 120 CO -0.20 0.48 -0.09 -0.92 0.56 0.00 0.00 179.97 179.79 2kmg h TYR 121 N 0.74 -0.24 -0.67 3.04 5.03 -1.43 0.78 116.97 124.22 2kmg h TYR 121 Ca 0.55 -0.01 0.19 0.00 2.58 0.00 0.00 58.73 62.05 2kmg h TYR 121 Cb 0.89 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 39.22 2kmg h TYR 121 CO -0.00 0.17 0.49 0.45 -1.32 0.00 0.00 178.16 177.95 2kmg h HIS 122 N -0.84 0.00 0.00 -3.82 3.86 -0.81 -0.03 115.15 113.50 2kmg h HIS 122 Ca -0.03 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.01 2kmg h HIS 122 Cb 0.52 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 2kmg h HIS 122 CO 0.07 0.00 -1.04 0.74 0.86 0.00 0.00 177.93 178.56 2kmg h PHE 123 N 0.00 0.00 -0.09 2.45 0.04 -1.15 -3.32 116.94 114.87 2kmg h PHE 123 Ca 0.32 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.12 2kmg h PHE 123 Cb 1.30 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.39 2kmg h PHE 123 CO 0.00 1.20 -0.46 1.25 -0.60 0.00 0.00 178.31 179.71 2kmg h LEU 124 N -1.00 -1.42 -1.20 1.54 6.46 -0.44 0.11 115.31 119.36 2kmg h LEU 124 Ca -0.27 0.18 0.29 0.00 -0.12 0.00 0.00 57.88 57.96 2kmg h LEU 124 Cb 1.14 0.56 -0.12 0.00 -0.73 0.00 0.00 40.66 41.52 2kmg h LEU 124 CO -0.16 -0.46 0.65 -0.09 -0.62 0.00 0.00 178.44 177.76 2kmg h ARG 125 N -0.55 0.40 -0.20 1.25 2.43 -1.22 0.41 114.38 116.89 2kmg h ARG 125 Ca 0.06 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2kmg h ARG 125 Cb 0.66 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2kmg h ARG 125 CO -0.38 0.26 -0.32 0.78 -1.51 0.00 0.00 179.97 178.80 2kmg h GLY 126 N 0.41 0.44 1.22 2.80 0.00 -1.11 -3.00 103.07 103.83 2kmg h GLY 126 Ca 0.66 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2kmg h GLY 126 CO -0.41 0.35 0.11 -2.75 0.00 0.00 0.00 176.54 173.83 2kmg h PHE 127 N 0.35 1.02 0.00 5.60 3.57 0.76 -2.05 116.94 126.19 2kmg h PHE 127 Ca 0.04 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2kmg h PHE 127 Cb 0.74 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2kmg h PHE 127 CO 0.02 0.86 0.00 0.00 -2.23 0.00 0.00 178.31 176.96 2kmg n ALA 128 N -2.46 1.35 0.19 2.41 0.00 -0.99 -1.89 120.51 119.12 2kmg n ALA 128 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2kmg n ALA 128 Cb 0.27 -1.19 0.34 0.00 0.00 0.00 0.00 19.45 18.87 2kmg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg h ALA 129 N 2.22 0.98 -0.09 0.00 0.00 -1.41 -2.77 119.26 118.19 2kmg h ALA 129 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kmg h ALA 129 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kmg h ALA 129 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2kmg n GLY 130 N 0.27 0.17 3.80 0.00 0.00 -0.79 -4.78 105.19 103.86 2kmg n GLY 130 Ca -0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.90 3.03 -0.97 1.61 3.76 -1.04 -4.92 115.29 114.86 2kmg s HIS 131 Ca 0.35 1.59 0.10 0.00 -0.15 0.00 0.00 55.06 56.94 2kmg s HIS 131 Cb 0.19 -3.07 0.41 0.00 1.11 0.00 0.00 32.58 31.22 2kmg s HIS 131 CO 0.30 -0.79 1.30 -0.35 -0.85 0.00 0.00 174.74 174.35 2kmg n PRO 132 N -0.85 0.01 -0.29 8.40 -0.04 -1.26 -1.81 135.00 139.16 2kmg n PRO 132 Ca 0.09 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.95 2kmg n PRO 132 Cb 0.52 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 2kmg n PRO 132 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kmg n GLU 133 N -1.53 0.66 -0.37 0.54 0.28 -1.26 -4.84 120.64 114.11 2kmg n GLU 133 Ca 0.02 -1.82 0.32 0.00 -0.16 0.00 0.00 57.16 55.52 2kmg n GLU 133 Cb 0.11 -1.01 0.58 0.00 1.43 0.00 0.00 31.44 32.55 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kmg h ALA 134 N 0.01 2.31 -0.82 -1.84 0.00 -1.51 0.35 119.26 117.76 2kmg h ALA 134 Ca -0.00 0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.29 2kmg h ALA 134 Cb 1.20 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 2kmg h ALA 134 CO 0.00 -1.01 0.32 0.00 0.00 0.00 0.00 179.25 178.56 2kmg h ALA 135 N 1.83 1.20 0.03 0.00 0.00 -1.87 0.59 119.26 121.03 2kmg h ALA 135 Ca 0.82 0.15 -0.27 0.00 0.00 0.00 0.00 54.91 55.60 2kmg h ALA 135 Cb 2.23 0.14 0.02 0.00 0.00 0.00 0.00 17.79 20.19 2kmg h ALA 135 CO -0.61 -0.28 -1.09 0.00 0.00 0.00 0.00 179.25 177.26 2kmg h ALA 136 N 1.63 0.10 0.51 0.00 0.00 -0.72 -3.03 119.26 117.76 2kmg h ALA 136 Ca 0.48 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2kmg h ALA 136 Cb 0.82 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kmg h ALA 136 CO -0.48 0.69 -0.25 0.82 0.00 0.00 0.00 179.25 180.03 2kmg h ILE 137 N 0.37 0.47 -0.35 0.00 2.04 -0.97 0.10 117.51 119.17 2kmg h ILE 137 Ca -0.14 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2kmg h ILE 137 Cb 1.75 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 2kmg h ILE 137 CO 0.21 0.03 0.03 0.10 0.00 0.00 0.00 178.15 178.53 2kmg h TYR 138 N -0.82 0.53 0.00 1.37 -0.00 -1.08 -1.53 116.97 115.45 2kmg h TYR 138 Ca -0.07 -0.04 -0.13 0.00 -0.00 0.00 0.00 58.73 58.48 2kmg h TYR 138 Cb 0.58 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.14 2kmg h TYR 138 CO -0.01 0.50 -0.63 0.07 -0.00 0.00 0.00 178.16 178.09 2kmg h ARG 139 N 0.51 0.00 -0.23 0.10 0.11 -1.48 -0.66 114.38 112.72 2kmg h ARG 139 Ca 0.11 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.07 2kmg h ARG 139 Cb 0.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 2kmg h ARG 139 CO 0.00 0.63 -0.37 0.00 0.10 0.00 0.00 179.97 180.34 2kmg h ALA 140 N 1.37 0.93 0.00 0.08 0.00 0.17 -2.80 119.26 119.02 2kmg h ALA 140 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kmg h ALA 140 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kmg h ALA 140 CO 0.08 0.62 -0.58 0.44 0.00 0.00 0.00 179.25 179.82 2kmg n ILE 141 N -4.05 0.02 0.00 0.00 -6.64 -0.74 -4.55 119.36 103.40 2kmg n ILE 141 Ca -0.01 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.95 2kmg n ILE 141 Cb 0.49 0.30 0.00 0.00 -1.44 0.00 0.00 39.64 38.99 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11