#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 5.81 -0.05 7.83 0.01 -1.26 -5.00 114.94 122.27 2kmg s ASN 2 Ca 0.00 0.28 0.05 0.00 -0.71 0.00 0.00 52.86 52.48 2kmg s ASN 2 Cb 0.00 -1.81 -0.24 0.00 0.41 0.00 0.00 41.25 39.60 2kmg s ASN 2 CO 0.00 0.36 0.62 0.74 -1.51 0.00 0.00 177.10 177.31 2kmg h THR 3 N 4.18 0.84 -4.11 1.60 2.02 -2.07 -3.47 112.91 111.90 2kmg h THR 3 Ca -0.51 -2.63 -0.46 0.00 0.77 0.00 0.00 66.41 63.58 2kmg h THR 3 Cb 1.20 2.50 0.11 0.00 -1.74 0.00 0.00 68.15 70.22 2kmg h THR 3 CO 0.58 0.66 0.35 -1.61 0.37 0.00 0.00 175.52 175.88 2kmg s GLU 4 N -2.59 1.65 0.07 6.66 0.41 -1.26 -5.11 118.70 118.53 2kmg s GLU 4 Ca -0.10 -0.19 0.03 0.00 -0.41 0.00 0.00 54.97 54.30 2kmg s GLU 4 Cb 0.07 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.39 2kmg s GLU 4 CO 0.81 -1.72 -0.09 -1.21 -0.49 0.00 0.00 175.26 172.57 2kmg s GLU 5 N -5.56 0.71 -0.09 1.61 2.02 -1.26 -5.12 118.70 111.02 2kmg s GLU 5 Ca 0.65 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 2kmg s GLU 5 Cb -0.09 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 33.72 2kmg s GLU 5 CO 0.49 0.05 1.45 1.14 0.02 0.00 0.00 175.26 178.41 2kmg s GLN 6 N -2.46 4.22 0.00 1.61 -2.07 -1.26 -4.88 119.66 114.82 2kmg s GLN 6 Ca 0.00 1.93 0.18 0.00 -1.82 0.00 0.00 55.36 55.65 2kmg s GLN 6 Cb -0.04 -3.83 1.10 0.00 -1.09 0.00 0.00 33.01 29.15 2kmg s GLN 6 CO -0.01 -0.74 1.50 -2.30 -1.32 0.00 0.00 175.29 172.42 2kmg n PRO 7 N 6.63 0.59 -5.16 9.60 -0.02 -1.26 -4.67 135.00 140.70 2kmg n PRO 7 Ca 0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 2kmg n PRO 7 Cb 0.44 -1.49 -0.16 0.00 -0.02 0.00 0.00 33.50 32.26 2kmg n PRO 7 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kmg s VAL 8 N -2.00 1.89 -0.07 -1.45 1.01 -1.26 -5.00 120.40 113.51 2kmg s VAL 8 Ca 0.28 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2kmg s VAL 8 Cb 0.13 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.93 2kmg s VAL 8 CO 0.21 0.53 0.24 0.42 0.00 0.00 0.00 175.10 176.50 2kmg s THR 9 N -0.18 0.02 0.81 3.92 -4.23 -1.26 -4.86 115.64 109.85 2kmg s THR 9 Ca -0.02 -0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2kmg s THR 9 Cb -0.13 -0.39 0.17 0.00 1.34 0.00 0.00 72.50 73.50 2kmg s THR 9 CO 0.03 -0.08 1.10 0.00 -0.54 0.00 0.00 174.62 175.13 2kmg n ALA 10 N 2.57 -0.45 -3.50 3.99 0.00 -1.26 -2.76 120.51 119.10 2kmg n ALA 10 Ca -0.15 -1.84 -0.09 0.00 0.00 0.00 0.00 53.44 51.36 2kmg n ALA 10 Cb 0.58 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 2kmg n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kmg s SER 11 N -5.29 -0.32 -0.27 0.00 0.15 -0.42 -4.89 113.70 102.66 2kmg s SER 11 Ca 0.68 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.74 2kmg s SER 11 Cb -0.03 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2kmg s SER 11 CO 0.46 -1.13 0.42 -0.22 1.20 0.00 0.00 173.24 173.97 2kmg s LEU 12 N -2.87 4.05 0.55 3.45 2.96 -1.26 -0.20 118.68 125.36 2kmg s LEU 12 Ca 0.09 0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 2kmg s LEU 12 Cb -0.03 -2.49 -0.06 0.00 0.50 0.00 0.00 46.19 44.11 2kmg s LEU 12 CO -0.01 -0.22 1.01 -0.69 -1.32 0.00 0.00 176.35 175.11 2kmg s VAL 13 N 2.14 4.42 0.79 1.68 1.01 -1.24 -4.97 120.40 124.23 2kmg s VAL 13 Ca 0.17 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 2kmg s VAL 13 Cb -0.16 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2kmg s VAL 13 CO 0.10 -0.73 0.88 0.00 0.00 0.00 0.00 175.10 175.34 2kmg n ALA 14 N -1.89 -0.79 0.19 5.51 0.00 -1.26 -4.71 120.51 117.56 2kmg n ALA 14 Ca 0.07 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.26 2kmg n ALA 14 Cb 0.54 -2.06 0.36 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.72 0.00 -0.02 0.00 4.11 -1.99 0.12 114.58 116.08 2kmg h GLU 15 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kmg h GLU 15 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2kmg h GLU 15 CO 0.44 0.35 -0.12 0.00 0.07 0.00 0.00 179.01 179.74 2kmg n ALA 16 N -2.29 2.78 0.00 1.06 0.00 -1.26 -4.15 120.51 116.65 2kmg n ALA 16 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2kmg n ALA 16 Cb 0.49 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.40 3.54 0.26 0.00 1.13 -1.08 -4.65 117.38 116.98 2kmg n GLN 17 Ca 0.15 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.36 2kmg n GLN 17 Cb 0.45 -0.71 0.60 0.00 0.11 0.00 0.00 30.24 30.69 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 -0.91 0.17 114.38 112.66 2kmg h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kmg h ARG 18 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kmg h ARG 18 CO 0.00 0.06 0.00 1.37 0.10 0.00 0.00 179.97 181.50 2kmg h LEU 19 N 0.00 0.00 -0.05 0.08 -0.00 -1.83 -3.19 115.31 110.32 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 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2kmg h LEU 19 CO 0.01 0.00 -0.20 -0.67 -0.00 0.00 0.00 178.44 177.57 2kmg n ASP 20 N -2.72 0.27 -0.03 0.17 2.03 -0.98 -4.60 116.55 110.68 2kmg n ASP 20 Ca 0.04 -0.63 -0.16 0.00 0.52 0.00 0.00 54.79 54.56 2kmg n ASP 20 Cb 0.44 0.96 -0.08 0.00 -0.72 0.00 0.00 41.12 41.72 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 0.04 0.80 0.14 -0.67 3.04 -0.66 -1.89 116.94 117.74 2kmg h PHE 21 Ca 0.00 -0.34 -0.01 0.00 3.98 0.00 0.00 57.97 61.60 2kmg h PHE 21 Cb 0.11 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2kmg h PHE 21 CO 0.00 1.13 -0.07 1.25 -2.02 0.00 0.00 178.31 178.60 2kmg h LEU 22 N 0.25 -0.16 -0.86 0.59 7.12 -1.81 -1.26 115.31 119.18 2kmg h LEU 22 Ca -0.03 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2kmg h LEU 22 Cb 1.17 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2kmg h LEU 22 CO 0.11 -0.11 0.00 1.55 -0.13 0.00 0.00 178.44 179.86 2kmg h PRO 23 N -0.19 0.00 0.06 5.25 0.13 -1.71 0.45 132.00 135.99 2kmg h PRO 23 Ca -0.02 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.87 2kmg h PRO 23 Cb 0.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 2kmg h PRO 23 CO 0.03 0.00 -1.13 1.15 -0.23 0.00 0.00 178.00 177.82 2kmg h THR 24 N 0.00 1.60 0.00 1.56 2.02 -0.73 0.41 112.91 117.77 2kmg h THR 24 Ca 0.00 -3.25 -0.02 0.00 0.77 0.00 0.00 66.41 63.91 2kmg h THR 24 Cb 0.45 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2kmg h THR 24 CO 0.00 0.93 -1.74 -1.22 0.37 0.00 0.00 175.52 173.86 2kmg n TYR 25 N -3.42 0.00 -0.07 3.16 4.02 -0.53 -4.65 117.16 115.66 2kmg n TYR 25 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.75 2kmg n TYR 25 Cb 0.98 -0.38 -0.07 0.00 -0.02 0.00 0.00 39.34 39.85 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 -2.08 0.00 0.00 -0.72 7.35 0.15 -5.05 117.46 117.12 2kmg n PHE 26 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 2kmg n PHE 26 Cb 0.45 -0.56 0.00 0.00 0.35 0.00 0.00 39.48 39.72 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 2.77 4.75 0.21 7.13 0.00 0.06 -4.68 105.19 115.43 2kmg n GLY 27 Ca -0.25 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.69 -0.37 132.00 131.68 2kmg h PRO 28 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 2kmg h PRO 28 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2kmg h PRO 28 CO 0.00 0.00 -2.40 -2.13 -0.23 0.00 0.00 178.00 173.24 2kmg n ARG 29 N -2.51 0.67 0.12 0.86 3.00 -1.26 -4.44 116.66 113.10 2kmg n ARG 29 Ca -0.02 0.08 -0.02 0.00 -0.00 0.00 0.00 57.85 57.89 2kmg n ARG 29 Cb 0.07 -1.53 0.09 0.00 0.00 0.00 0.00 32.46 31.08 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 0.00 -0.69 6.15 4.07 -1.66 -3.33 115.31 119.85 2kmg h LEU 30 Ca -0.55 0.00 0.26 0.00 0.08 0.00 0.00 57.88 57.67 2kmg h LEU 30 Cb 2.08 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.73 2kmg h LEU 30 CO -0.02 0.69 0.41 1.15 -1.08 0.00 0.00 178.44 179.59 2kmg n MET 31 N -3.55 -0.03 -0.09 1.13 0.00 -0.21 0.13 117.12 114.50 2kmg n MET 31 Ca -0.00 0.77 -0.10 0.00 0.00 0.00 0.00 57.70 58.37 2kmg n MET 31 Cb 0.72 -1.45 -0.13 0.00 0.00 0.00 0.00 33.22 32.35 2kmg n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg n MET 32 N -4.10 1.04 0.09 3.17 0.00 -1.25 -3.29 117.12 112.78 2kmg n MET 32 Ca 0.23 0.01 0.11 0.00 0.00 0.00 0.00 57.70 58.05 2kmg n MET 32 Cb 0.83 -1.45 0.45 0.00 0.00 0.00 0.00 33.22 33.05 2kmg n MET 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kmg n ARG 33 N -2.72 0.16 -0.07 3.17 5.12 0.29 -2.58 116.66 120.03 2kmg n ARG 33 Ca -0.30 0.32 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 2kmg n ARG 33 Cb 1.05 -1.77 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 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 0.38 -0.22 0.33 -0.13 0.00 0.36 -4.02 105.19 101.87 2kmg n GLY 34 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 0.58 0.00 1.61 -0.00 -1.64 0.59 114.58 115.47 2kmg h GLU 35 Ca -0.36 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 58.94 2kmg h GLU 35 Cb 1.43 -0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 30.05 2kmg h GLU 35 CO -0.13 0.38 -0.16 0.00 -0.00 0.00 0.00 179.01 179.09 2kmg h ALA 36 N 1.70 0.90 0.13 1.06 0.00 -1.74 -3.17 119.26 118.14 2kmg h ALA 36 Ca 0.21 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 2kmg h ALA 36 Cb 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kmg h ALA 36 CO -0.05 0.21 -1.25 1.25 0.00 0.00 0.00 179.25 179.40 2kmg h LEU 37 N 0.00 0.72 -0.50 0.00 5.85 -1.09 -2.30 115.31 118.00 2kmg h LEU 37 Ca -0.00 -0.70 -0.14 0.00 0.84 0.00 0.00 57.88 57.88 2kmg h LEU 37 Cb 1.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2kmg h LEU 37 CO 0.02 1.52 -0.31 -0.37 -0.34 0.00 0.00 178.44 178.96 2kmg h VAL 38 N 0.20 1.27 0.00 1.05 -1.51 -1.22 -2.80 116.25 113.24 2kmg h VAL 38 Ca -0.17 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.82 2kmg h VAL 38 Cb 1.93 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 2kmg h VAL 38 CO 0.23 0.50 0.00 0.10 -1.23 0.00 0.00 177.57 177.16 2kmg h TYR 39 N 0.74 0.00 -0.40 5.19 -0.00 -1.65 -3.03 116.97 117.83 2kmg h TYR 39 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.72 2kmg h TYR 39 Cb 0.88 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.59 2kmg h TYR 39 CO 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 178.16 178.10 2kmg h ALA 40 N 2.04 1.05 0.07 0.10 0.00 -1.14 -1.64 119.26 119.74 2kmg h ALA 40 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 2kmg h ALA 40 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2kmg h ALA 40 CO 0.00 0.58 -1.22 -1.49 0.00 0.00 0.00 179.25 177.12 2kmg h TRP 41 N 0.65 0.28 -0.28 0.00 4.06 -1.54 -3.29 115.95 115.84 2kmg h TRP 41 Ca 0.11 -0.21 -0.03 0.00 2.06 0.00 0.00 58.89 60.82 2kmg h TRP 41 Cb 0.57 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 2kmg h TRP 41 CO 0.03 1.18 0.05 1.98 -3.56 0.00 0.00 178.44 178.12 2kmg h MET 42 N 0.04 0.46 0.00 0.49 4.05 -1.39 -2.36 114.93 116.22 2kmg h MET 42 Ca -0.11 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2kmg h MET 42 Cb 1.91 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.65 2kmg h MET 42 CO 0.16 0.56 0.00 0.07 0.23 0.00 0.00 176.91 177.94 2kmg h ARG 43 N 0.28 0.00 0.00 0.39 0.11 -1.42 -2.93 114.38 110.80 2kmg h ARG 43 Ca 0.08 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.11 2kmg h ARG 43 Cb 0.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2kmg h ARG 43 CO 0.00 0.00 -0.28 0.00 0.10 0.00 0.00 179.97 179.79 2kmg h ARG 44 N 0.00 0.00 -0.64 0.08 3.08 -1.53 -3.32 114.38 112.05 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 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2kmg h ARG 44 CO 0.00 0.95 0.76 -0.07 -1.07 0.00 0.00 179.97 180.54 2kmg h LEU 45 N -1.00 0.00 -8.71 3.04 3.38 -1.24 -3.39 115.31 107.39 2kmg h LEU 45 Ca -0.08 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.25 2kmg h LEU 45 Cb 1.03 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.53 2kmg h LEU 45 CO -0.05 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 177.62 2kmg h GLU 47 N 4.55 0.00 -1.89 0.00 4.11 -1.81 -3.36 114.58 116.18 2kmg h GLU 47 Ca -0.46 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.36 2kmg h GLU 47 Cb 1.16 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.00 2kmg h GLU 47 CO 0.42 0.61 -0.51 2.89 0.07 0.00 0.00 179.01 182.49 2kmg n ARG 48 N -3.14 3.41 -3.64 1.06 1.85 -1.26 -4.97 116.66 109.98 2kmg n ARG 48 Ca -0.07 -4.60 -0.39 0.00 -1.00 0.00 0.00 57.85 51.79 2kmg n ARG 48 Cb 0.91 -2.26 -0.08 0.00 -1.05 0.00 0.00 32.46 29.98 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2kmg s TYR 49 N -3.58 3.48 0.16 2.89 6.14 -1.26 -4.92 117.35 120.26 2kmg s TYR 49 Ca 0.48 -2.51 -0.11 0.00 0.64 0.00 0.00 57.07 55.57 2kmg s TYR 49 Cb 0.34 -3.34 0.04 0.00 0.42 0.00 0.00 41.96 39.43 2kmg s TYR 49 CO -0.18 -0.89 1.63 -0.91 0.64 0.00 0.00 175.55 175.85 2kmg h ASN 50 N 7.32 0.91 -2.53 4.32 -0.26 -1.95 -3.45 115.58 119.94 2kmg h ASN 50 Ca -0.01 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 2kmg h ASN 50 Cb 0.98 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 2kmg h ASN 50 CO 0.73 0.97 0.00 0.61 -1.06 0.00 0.00 177.43 178.68 2kmg n GLY 51 N -0.46 0.16 3.96 2.83 0.00 -1.26 -5.09 105.19 105.33 2kmg n GLY 51 Ca 0.02 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.00 -2.50 -0.75 4.61 0.00 -1.26 -4.92 121.76 115.94 2kmg s ALA 52 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 2kmg s ALA 52 Cb 0.00 0.86 0.09 0.00 0.00 0.00 0.00 23.12 24.07 2kmg s ALA 52 CO 0.00 -1.15 1.00 0.71 0.00 0.00 0.00 175.76 176.33 2kmg s TYR 53 N -2.05 2.85 -1.14 0.00 2.02 -1.26 -4.68 117.35 113.09 2kmg s TYR 53 Ca 0.29 -0.88 -0.20 0.00 -0.37 0.00 0.00 57.07 55.91 2kmg s TYR 53 Cb 0.00 -4.27 -0.05 0.00 -0.40 0.00 0.00 41.96 37.24 2kmg s TYR 53 CO -0.01 -1.57 1.94 0.91 -1.57 0.00 0.00 175.55 175.25 2kmg n TRP 54 N 7.21 3.06 -1.56 2.71 8.01 -1.25 -2.02 117.44 133.61 2kmg n TRP 54 Ca 0.06 -2.14 -0.53 0.00 -1.31 0.00 0.00 57.50 53.58 2kmg n TRP 54 Cb 0.46 -2.35 -0.06 0.00 -2.01 0.00 0.00 31.31 27.35 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 9.61 1.16 -2.71 -5.99 8.25 0.17 -4.40 115.22 121.31 2kmg n HIS 55 Ca 0.48 0.77 -0.43 0.00 -0.26 0.00 0.00 57.72 58.29 2kmg n HIS 55 Cb 0.43 -2.24 -0.02 0.00 1.12 0.00 0.00 29.99 29.28 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 0.17 2.87 0.47 4.41 2.02 -1.26 -2.64 117.35 123.38 2kmg s TYR 56 Ca 0.83 -1.33 -0.21 0.00 -0.37 0.00 0.00 57.07 55.99 2kmg s TYR 56 Cb -1.02 -4.56 -0.08 0.00 -0.40 0.00 0.00 41.96 35.90 2kmg s TYR 56 CO 0.51 -1.72 1.07 0.71 -1.57 0.00 0.00 175.55 174.54 2kmg s TYR 57 N 3.78 2.99 -0.26 2.71 2.02 -0.46 -3.72 117.35 124.41 2kmg s TYR 57 Ca 0.44 1.58 -0.01 0.00 -0.37 0.00 0.00 57.07 58.71 2kmg s TYR 57 Cb -0.01 -3.15 0.04 0.00 -0.40 0.00 0.00 41.96 38.44 2kmg s TYR 57 CO -0.04 -0.97 -0.06 0.00 -1.57 0.00 0.00 175.55 172.91 2kmg s ALA 58 N -1.83 2.70 0.32 3.71 0.00 0.72 -2.83 121.76 124.55 2kmg s ALA 58 Ca 0.66 -1.57 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2kmg s ALA 58 Cb -0.20 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 2kmg s ALA 58 CO 0.24 -0.96 0.71 -0.51 0.00 0.00 0.00 175.76 175.24 2kmg s LEU 59 N 1.28 4.03 0.44 0.00 1.43 -1.26 -1.30 118.68 123.29 2kmg s LEU 59 Ca -0.02 1.18 0.28 0.00 -1.03 0.00 0.00 54.13 54.54 2kmg s LEU 59 Cb -0.18 -3.99 0.99 0.00 0.03 0.00 0.00 46.19 43.04 2kmg s LEU 59 CO -0.04 -0.22 1.82 0.77 0.23 0.00 0.00 176.35 178.91 2kmg h SER 60 N 2.08 0.00 0.60 2.29 4.64 -1.89 -2.66 113.55 118.61 2kmg h SER 60 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2kmg h SER 60 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kmg h SER 60 CO 0.66 0.00 -0.39 -0.67 -0.87 0.00 0.00 176.83 175.56 2kmg n ASP 61 N -2.85 0.41 0.00 4.97 -0.08 -1.26 -4.92 116.55 112.81 2kmg n ASP 61 Ca 0.02 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2kmg n ASP 61 Cb 0.36 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 1.49 0.78 2.44 0.27 0.00 -1.00 -4.97 105.19 104.21 2kmg n GLY 62 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N -2.27 5.84 2.49 -0.02 0.00 -1.26 -4.66 105.19 105.31 2kmg n GLY 63 Ca 0.00 -2.39 -0.33 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.81 -1.02 -4.27 1.61 -1.74 -1.26 -4.13 117.46 105.85 2kmg n PHE 64 Ca 0.59 0.58 -0.14 0.00 -0.56 0.00 0.00 57.45 57.92 2kmg n PHE 64 Cb 0.59 -1.38 -0.10 0.00 1.52 0.00 0.00 39.48 40.10 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 -1.02 1.31 -0.09 2.97 1.13 -1.13 -4.92 117.35 115.61 2kmg s TYR 65 Ca 0.46 -1.01 0.02 0.00 -1.41 0.00 0.00 57.07 55.13 2kmg s TYR 65 Cb -0.57 -0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 39.52 2kmg s TYR 65 CO 0.44 -0.19 -0.16 -1.64 -2.51 0.00 0.00 175.55 171.50 2kmg s MET 66 N -3.91 2.95 -0.05 -3.49 -1.94 -1.26 -1.36 119.30 110.23 2kmg s MET 66 Ca 0.26 -0.74 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 2kmg s MET 66 Cb 0.06 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.46 2kmg s MET 66 CO 0.06 0.37 -0.07 0.00 -0.01 0.00 0.00 175.02 175.37 2kmg s ALA 67 N -0.08 0.89 0.85 3.03 0.00 -1.08 -4.16 121.76 121.21 2kmg s ALA 67 Ca -0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 2kmg s ALA 67 Cb -0.14 -0.50 0.10 0.00 0.00 0.00 0.00 23.12 22.58 2kmg s ALA 67 CO 0.04 -0.01 1.10 -1.25 0.00 0.00 0.00 175.76 175.64 2kmg s PRO 68 N 0.91 1.62 -0.94 0.00 0.04 -1.24 -0.66 135.00 134.74 2kmg s PRO 68 Ca -0.11 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 61.95 2kmg s PRO 68 Cb -0.15 -1.83 0.24 0.00 0.04 0.00 0.00 34.50 32.80 2kmg s PRO 68 CO 0.01 -2.07 0.88 0.34 0.04 0.00 0.00 177.00 176.20 2kmg s ASP 69 N -3.26 6.65 -0.11 6.66 2.15 -0.86 -4.42 116.67 123.49 2kmg s ASP 69 Ca 0.63 -3.32 -0.02 0.00 0.43 0.00 0.00 52.55 50.28 2kmg s ASP 69 Cb -0.19 -2.10 0.04 0.00 -0.30 0.00 0.00 42.92 40.37 2kmg s ASP 69 CO 0.57 -0.34 0.01 -0.76 -0.17 0.00 0.00 175.17 174.47 2kmg s LEU 70 N -0.79 0.80 -0.43 -1.34 1.02 -1.26 -4.48 118.68 112.19 2kmg s LEU 70 Ca 0.25 -0.32 -0.13 0.00 0.02 0.00 0.00 54.13 53.95 2kmg s LEU 70 Cb -0.10 -0.51 0.05 0.00 0.02 0.00 0.00 46.19 45.65 2kmg s LEU 70 CO -0.09 -0.22 0.31 0.00 0.02 0.00 0.00 176.35 176.37 2kmg s ALA 71 N 1.92 3.44 0.00 4.21 0.00 -1.26 -3.34 121.76 126.73 2kmg s ALA 71 Ca 0.03 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.04 2kmg s ALA 71 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2kmg s ALA 71 CO -0.06 -1.59 0.00 0.41 0.00 0.00 0.00 175.76 174.52 2kmg n GLY 72 N 5.10 3.49 3.56 0.00 0.00 -1.26 -5.03 105.19 111.05 2kmg n GLY 72 Ca -0.12 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.35 1.91 -0.51 1.61 0.52 -1.26 -4.63 118.95 114.25 2kmg s ARG 73 Ca 0.00 0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 55.82 2kmg s ARG 73 Cb 0.00 -4.69 0.04 0.00 0.52 0.00 0.00 34.95 30.81 2kmg s ARG 73 CO 0.00 -3.81 0.88 -0.51 0.02 0.00 0.00 175.30 171.88 2kmg s LEU 74 N 13.17 4.17 -0.83 2.53 1.43 -0.75 -4.87 118.68 133.53 2kmg s LEU 74 Ca 0.92 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 2kmg s LEU 74 Cb -0.14 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.09 2kmg s LEU 74 CO 0.16 -1.10 2.16 -1.61 0.23 0.00 0.00 176.35 176.18 2kmg s GLU 75 N 3.68 2.13 -0.34 1.70 2.02 -1.26 -1.06 118.70 125.57 2kmg s GLU 75 Ca 0.31 0.13 -0.03 0.00 0.02 0.00 0.00 54.97 55.40 2kmg s GLU 75 Cb -0.12 -4.90 0.07 0.00 0.10 0.00 0.00 34.13 29.27 2kmg s GLU 75 CO 0.21 -3.81 0.08 0.42 0.02 0.00 0.00 175.26 172.18 2kmg s ILE 76 N 12.13 3.20 -0.04 -1.63 -1.09 -1.18 -4.61 121.20 127.99 2kmg s ILE 76 Ca 0.80 -1.55 -0.13 0.00 -2.23 0.00 0.00 60.65 57.54 2kmg s ILE 76 Cb -0.10 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 2kmg s ILE 76 CO 0.05 -0.30 0.35 -1.83 -1.23 0.00 0.00 174.94 171.98 2kmg s GLU 77 N 1.24 3.85 -0.39 2.79 4.04 0.59 -3.77 118.70 127.05 2kmg s GLU 77 Ca -0.00 0.28 -0.09 0.00 0.04 0.00 0.00 54.97 55.21 2kmg s GLU 77 Cb -0.21 -3.23 0.06 0.00 0.02 0.00 0.00 34.13 30.77 2kmg s GLU 77 CO -0.01 0.67 0.21 0.14 -1.84 0.00 0.00 175.26 174.43 2kmg s VAL 78 N -0.93 4.13 0.39 1.83 -7.23 -0.87 -4.21 120.40 113.51 2kmg s VAL 78 Ca 0.22 -1.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.19 2kmg s VAL 78 Cb -0.15 -3.46 0.17 0.00 0.56 0.00 0.00 36.38 33.49 2kmg s VAL 78 CO 0.11 -0.40 1.93 0.78 -0.31 0.00 0.00 175.10 177.21 2kmg h ASN 79 N 8.35 0.25 -1.30 4.85 2.35 -1.91 0.65 115.58 128.83 2kmg h ASN 79 Ca -0.23 -0.05 0.38 0.00 -0.55 0.00 0.00 56.30 55.85 2kmg h ASN 79 Cb 1.08 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 39.30 2kmg h ASN 79 CO 0.70 0.38 0.89 1.23 -1.65 0.00 0.00 177.43 178.99 2kmg h GLY 80 N 0.71 0.64 -0.48 2.83 0.00 -1.92 -2.72 103.07 102.14 2kmg h GLY 80 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2kmg h GLY 80 CO 0.02 -0.14 -0.20 1.16 0.00 0.00 0.00 176.54 177.38 2kmg n ASN 81 N -4.39 0.00 -2.39 0.19 0.23 -1.05 -4.96 115.26 102.89 2kmg n ASN 81 Ca 0.31 -1.40 -0.18 0.00 -0.53 0.00 0.00 54.58 52.79 2kmg n ASN 81 Cb 1.31 -0.08 -0.01 0.00 -2.08 0.00 0.00 39.78 38.92 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 -0.43 3.49 4.83 0.00 0.22 -4.93 105.19 108.36 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 2.92 -0.35 1.61 5.36 -0.85 -4.89 117.98 118.91 2kmg s PHE 83 Ca 0.00 -0.26 -0.22 0.00 -0.96 0.00 0.00 56.93 55.49 2kmg s PHE 83 Cb 0.00 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2kmg s PHE 83 CO 0.00 -1.19 0.70 0.50 -1.46 0.00 0.00 175.22 173.77 2kmg s ARG 84 N 3.30 3.75 -0.25 10.12 3.00 -1.26 -2.05 118.95 135.56 2kmg s ARG 84 Ca 0.23 0.21 -0.27 0.00 -1.00 0.00 0.00 55.73 54.90 2kmg s ARG 84 Cb -0.16 -3.79 0.13 0.00 0.00 0.00 0.00 34.95 31.13 2kmg s ARG 84 CO 0.16 -0.75 1.04 0.20 0.00 0.00 0.00 175.30 175.94 2kmg s GLY 85 N 1.78 -0.16 0.12 8.12 0.00 -1.25 -5.04 107.32 110.90 2kmg s GLY 85 Ca 0.27 2.52 -0.30 0.00 0.00 0.00 0.00 44.72 47.22 2kmg s GLY 85 CO 0.15 1.59 0.94 -0.54 0.00 0.00 0.00 173.10 175.25 2kmg s GLU 86 N -0.19 4.71 0.20 2.90 8.01 -1.26 -3.08 118.70 129.99 2kmg s GLU 86 Ca 0.02 1.43 -0.02 0.00 0.01 0.00 0.00 54.97 56.41 2kmg s GLU 86 Cb -0.04 -3.36 -0.04 0.00 -4.31 0.00 0.00 34.13 26.39 2kmg s GLU 86 CO -0.04 0.26 0.16 -1.17 0.01 0.00 0.00 175.26 174.48 2kmg s LEU 87 N -0.18 1.08 0.56 1.80 2.96 -0.22 -4.86 118.68 119.83 2kmg s LEU 87 Ca 0.45 -1.35 -0.07 0.00 -0.22 0.00 0.00 54.13 52.94 2kmg s LEU 87 Cb -0.23 0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.94 2kmg s LEU 87 CO 0.30 -0.87 0.90 -0.94 -1.32 0.00 0.00 176.35 174.42 2kmg s SER 88 N -3.15 5.99 0.58 3.68 1.04 -1.26 -1.81 113.70 118.77 2kmg s SER 88 Ca 0.38 0.99 0.30 0.00 0.48 0.00 0.00 55.95 58.10 2kmg s SER 88 Cb 0.06 -2.11 1.77 0.00 0.10 0.00 0.00 66.02 65.83 2kmg s SER 88 CO 0.12 -0.85 2.22 0.00 0.98 0.00 0.00 173.24 175.71 2kmg h ALA 89 N -0.09 1.46 0.03 5.32 0.00 -1.83 -1.09 119.26 123.06 2kmg h ALA 89 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kmg h ALA 89 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kmg h ALA 89 CO 0.62 0.03 -0.01 0.22 0.00 0.00 0.00 179.25 180.10 2kmg h ASP 90 N 0.00 -0.03 0.26 0.00 1.82 -1.85 -1.52 116.42 115.10 2kmg h ASP 90 Ca -0.00 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 2kmg h ASP 90 Cb 0.07 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.09 2kmg h ASP 90 CO 0.00 0.66 0.00 0.00 -1.61 0.00 0.00 179.24 178.29 2kmg n ALA 91 N -2.69 1.67 -0.10 -0.78 0.00 -1.12 -2.64 120.51 114.84 2kmg n ALA 91 Ca -0.05 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2kmg n ALA 91 Cb 0.21 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.34 1.54 0.03 0.00 0.00 -0.43 -4.42 120.51 115.89 2kmg n ALA 92 Ca 0.05 -0.95 0.19 0.00 0.00 0.00 0.00 53.44 52.73 2kmg n ALA 92 Cb 0.10 -0.02 0.69 0.00 0.00 0.00 0.00 19.45 20.22 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 1.91 0.00 0.93 0.00 0.00 -1.03 -1.02 103.07 103.86 2kmg h GLY 93 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kmg h GLY 93 CO -0.06 0.00 0.04 -2.22 0.00 0.00 0.00 176.54 174.30 2kmg h ILE 94 N 0.00 1.08 0.00 2.60 2.04 -1.71 -0.50 117.51 121.02 2kmg h ILE 94 Ca 0.23 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2kmg h ILE 94 Cb 0.91 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2kmg h ILE 94 CO -0.00 0.07 -0.07 0.58 0.00 0.00 0.00 178.15 178.72 2kmg h VAL 95 N 0.02 0.26 -0.01 1.67 2.07 -1.44 -0.21 116.25 118.61 2kmg h VAL 95 Ca 0.02 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2kmg h VAL 95 Cb 0.08 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2kmg h VAL 95 CO -0.00 0.07 -0.27 0.00 0.02 0.00 0.00 177.57 177.38 2kmg h ALA 96 N 1.93 0.05 -0.06 1.67 0.00 -0.54 -3.10 119.26 119.20 2kmg h ALA 96 Ca -0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 2kmg h ALA 96 Cb 0.38 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kmg h ALA 96 CO 0.01 0.10 -0.68 0.00 0.00 0.00 0.00 179.25 178.69 2kmg h THR 97 N -0.44 1.35 -0.19 0.00 1.03 -0.94 -3.17 112.91 110.55 2kmg h THR 97 Ca -0.03 -2.00 0.06 0.00 -0.01 0.00 0.00 66.41 64.42 2kmg h THR 97 Cb 1.01 2.31 -0.06 0.00 -1.07 0.00 0.00 68.15 70.34 2kmg h THR 97 CO 0.05 0.60 -0.25 -0.07 -0.01 0.00 0.00 175.52 175.85 2kmg h LEU 98 N 0.17 -0.78 -1.59 0.00 3.38 -1.17 0.38 115.31 115.70 2kmg h LEU 98 Ca -0.07 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2kmg h LEU 98 Cb 1.34 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 2kmg h LEU 98 CO 0.14 -0.29 0.37 -0.26 0.09 0.00 0.00 178.44 178.49 2kmg h PHE 99 N -0.28 0.50 -0.26 1.13 -1.00 -1.64 -0.86 116.94 114.52 2kmg h PHE 99 Ca 0.12 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.77 2kmg h PHE 99 Cb 0.46 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 2kmg h PHE 99 CO -0.38 0.26 -0.41 0.00 -1.61 0.00 0.00 178.31 176.17 2kmg h ALA 100 N 1.70 0.79 -0.77 2.45 0.00 -1.11 -2.63 119.26 119.68 2kmg h ALA 100 Ca 0.24 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2kmg h ALA 100 Cb 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2kmg h ALA 100 CO -0.07 0.65 0.48 -0.07 0.00 0.00 0.00 179.25 180.25 2kmg h LEU 101 N 0.52 0.78 -0.55 0.00 3.38 0.47 -0.61 115.31 119.29 2kmg h LEU 101 Ca 0.04 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2kmg h LEU 101 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2kmg h LEU 101 CO 0.08 0.52 -0.63 1.23 0.09 0.00 0.00 178.44 179.74 2kmg h GLY 102 N 0.92 0.38 0.50 0.83 0.00 -1.40 -2.14 103.07 102.16 2kmg h GLY 102 Ca 0.32 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2kmg h GLY 102 CO -0.13 0.43 -0.00 -1.61 0.00 0.00 0.00 176.54 175.22 2kmg h GLN 103 N 0.25 -0.01 -0.81 4.80 4.15 -1.07 -2.18 115.11 120.25 2kmg h GLN 103 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2kmg h GLN 103 Cb 1.16 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 2kmg h GLN 103 CO 0.10 0.49 0.41 1.25 -1.93 0.00 0.00 178.83 179.15 2kmg h LEU 104 N -0.52 1.03 -1.12 -2.39 7.12 -1.19 0.15 115.31 118.39 2kmg h LEU 104 Ca -0.00 -0.12 -0.04 0.00 0.13 0.00 0.00 57.88 57.85 2kmg h LEU 104 Cb 0.50 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 2kmg h LEU 104 CO 0.00 0.86 0.17 0.00 -0.13 0.00 0.00 178.44 179.34 2kmg h ALA 105 N 1.22 1.30 0.00 1.25 0.00 -1.40 -2.06 119.26 119.56 2kmg h ALA 105 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kmg h ALA 105 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kmg h ALA 105 CO -0.04 0.51 -0.42 0.00 0.00 0.00 0.00 179.25 179.29 2kmg n ALA 106 N -2.46 2.99 0.09 0.00 0.00 -0.82 -3.77 120.51 116.54 2kmg n ALA 106 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 2kmg n ALA 106 Cb 0.19 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 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 0.24 -4.92 0.00 4.81 -0.01 -3.41 114.58 111.28 2kmg h GLU 107 Ca 0.00 -0.33 -0.68 0.00 -0.13 0.00 0.00 59.36 58.22 2kmg h GLU 107 Cb 0.62 0.11 -0.18 0.00 0.63 0.00 0.00 28.75 29.93 2kmg h GLU 107 CO 0.00 1.09 0.18 0.96 -0.73 0.00 0.00 179.01 180.51 2kmg s ILE 108 N -2.93 4.75 -1.04 2.32 -4.36 -1.04 -4.98 121.20 113.92 2kmg s ILE 108 Ca -0.03 -0.71 -0.23 0.00 -0.26 0.00 0.00 60.65 59.42 2kmg s ILE 108 Cb 0.09 -4.46 -0.05 0.00 1.25 0.00 0.00 42.46 39.28 2kmg s ILE 108 CO 0.86 -1.08 1.91 0.00 0.24 0.00 0.00 174.94 176.86 2kmg s ALA 109 N 2.92 1.84 0.10 2.27 0.00 -1.26 -4.54 121.76 123.09 2kmg s ALA 109 Ca 0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.24 2kmg s ALA 109 Cb -0.21 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.30 2kmg s ALA 109 CO 0.09 -4.86 0.15 -0.25 0.00 0.00 0.00 175.76 170.89 2kmg n ASP 110 N 13.65 -0.41 0.00 0.00 8.00 -1.26 -5.06 116.55 131.47 2kmg n ASP 110 Ca 0.42 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2kmg n ASP 110 Cb 0.47 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 2kmg n ASP 110 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kmg n THR 111 N -0.17 0.00 -0.04 -3.53 5.66 -1.26 -4.52 114.28 110.43 2kmg n THR 111 Ca 0.00 -0.29 -0.05 0.00 -3.05 0.00 0.00 64.05 60.66 2kmg n THR 111 Cb 0.17 1.26 -0.02 0.00 -1.55 0.00 0.00 70.33 70.19 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 -0.23 1.47 0.19 1.09 5.75 -1.26 -4.52 116.55 119.04 2kmg n ASP 112 Ca 0.00 0.23 0.13 0.00 -0.01 0.00 0.00 54.79 55.14 2kmg n ASP 112 Cb 0.06 -0.57 0.27 0.00 -1.03 0.00 0.00 41.12 39.85 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmg h ALA 113 N -0.73 1.00 0.00 2.12 0.00 -1.94 -2.12 119.26 117.59 2kmg h ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmg h ALA 113 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kmg h ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2kmg n ALA 114 N -2.01 2.28 -0.05 0.00 0.00 -1.26 -3.28 120.51 116.19 2kmg n ALA 114 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kmg n ALA 114 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.43 0.16 -0.04 0.00 9.92 -1.17 -4.58 116.55 119.39 2kmg n ASP 115 Ca 0.09 -0.51 -0.15 0.00 -0.53 0.00 0.00 54.79 53.68 2kmg n ASP 115 Cb 0.29 0.62 -0.13 0.00 -0.64 0.00 0.00 41.12 41.26 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 0.00 -0.02 0.00 2.24 0.00 -1.37 -3.29 119.26 116.83 2kmg h ALA 116 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kmg h ALA 116 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kmg h ALA 116 CO 0.00 0.07 0.00 1.37 0.00 0.00 0.00 179.25 180.69 2kmg h LEU 117 N -0.82 0.00 -1.42 0.00 -0.00 -1.85 -2.93 115.31 108.28 2kmg h LEU 117 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2kmg h LEU 117 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 2kmg h LEU 117 CO 0.03 0.00 0.23 0.40 -0.00 0.00 0.00 178.44 179.11 2kmg h ILE 118 N 0.00 1.15 -0.81 0.15 1.08 -1.81 -2.32 117.51 114.95 2kmg h ILE 118 Ca 0.00 -0.40 0.13 0.00 -0.39 0.00 0.00 64.86 64.20 2kmg h ILE 118 Cb 0.52 0.55 -0.09 0.00 -3.07 0.00 0.00 36.82 34.74 2kmg h ILE 118 CO 0.00 0.17 0.42 0.44 -0.69 0.00 0.00 178.15 178.48 2kmg h ASP 119 N 0.63 0.52 -0.94 1.72 3.32 -1.64 -0.49 116.42 119.54 2kmg h ASP 119 Ca 0.16 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.43 2kmg h ASP 119 Cb 0.04 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 2kmg h ASP 119 CO -0.02 0.25 0.60 0.03 -1.72 0.00 0.00 179.24 178.37 2kmg h ARG 120 N 0.63 0.78 0.39 3.56 -0.00 -1.61 -0.30 114.38 117.84 2kmg h ARG 120 Ca 0.43 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.84 2kmg h ARG 120 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2kmg h ARG 120 CO -0.33 0.52 -0.19 -0.92 0.00 0.00 0.00 179.97 179.05 2kmg h TYR 121 N 0.81 -0.48 -0.50 3.04 5.03 -1.18 -1.12 116.97 122.56 2kmg h TYR 121 Ca 0.47 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.81 2kmg h TYR 121 Cb 0.64 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 2kmg h TYR 121 CO -0.00 -0.21 0.33 0.45 -1.32 0.00 0.00 178.16 177.41 2kmg h HIS 122 N -0.69 0.51 0.27 -3.82 3.86 -1.24 0.61 115.15 114.65 2kmg h HIS 122 Ca -0.05 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2kmg h HIS 122 Cb 0.49 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2kmg h HIS 122 CO -0.01 0.29 -0.13 0.74 0.86 0.00 0.00 177.93 179.68 2kmg h PHE 123 N 0.52 -0.34 -0.35 2.45 0.04 -0.88 -3.10 116.94 115.29 2kmg h PHE 123 Ca 0.21 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.95 2kmg h PHE 123 Cb 0.17 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2kmg h PHE 123 CO -0.00 0.01 0.13 1.25 -0.60 0.00 0.00 178.31 179.11 2kmg h LEU 124 N -0.76 0.48 -1.08 1.54 5.85 -0.96 -2.75 115.31 117.63 2kmg h LEU 124 Ca -0.04 -0.17 0.29 0.00 0.84 0.00 0.00 57.88 58.80 2kmg h LEU 124 Cb 0.50 -0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.27 2kmg h LEU 124 CO 0.06 0.53 0.61 -0.09 -0.34 0.00 0.00 178.44 179.21 2kmg h ARG 125 N 0.41 0.41 0.00 1.25 2.43 -0.95 0.46 114.38 118.38 2kmg h ARG 125 Ca 0.12 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 2kmg h ARG 125 Cb 0.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2kmg h ARG 125 CO -0.01 0.27 -0.65 0.78 -1.51 0.00 0.00 179.97 178.86 2kmg h GLY 126 N 0.42 0.00 1.63 2.80 0.00 -1.41 -3.16 103.07 103.34 2kmg h GLY 126 Ca 0.68 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.85 2kmg h GLY 126 CO -0.50 0.00 -0.65 -2.75 0.00 0.00 0.00 176.54 172.64 2kmg h PHE 127 N 0.00 0.49 0.00 5.60 3.57 -0.03 -2.88 116.94 123.69 2kmg h PHE 127 Ca -0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2kmg h PHE 127 Cb 1.17 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kmg h PHE 127 CO 0.00 0.92 0.00 0.00 -2.23 0.00 0.00 178.31 177.00 2kmg h ALA 128 N 1.03 1.00 0.00 2.41 0.00 -1.21 -1.44 119.26 121.05 2kmg h ALA 128 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2kmg h ALA 128 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kmg h ALA 128 CO 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.92 2kmg h ALA 129 N 2.11 0.79 -0.00 0.00 0.00 -1.58 -3.04 119.26 117.55 2kmg h ALA 129 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kmg h ALA 129 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kmg h ALA 129 CO 0.00 0.54 -0.10 0.41 0.00 0.00 0.00 179.25 180.10 2kmg n GLY 130 N 0.86 -1.16 3.79 0.00 0.00 -0.54 -4.82 105.19 103.32 2kmg n GLY 130 Ca 0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.65 3.62 0.45 1.61 3.76 -1.15 -4.95 115.29 115.98 2kmg s HIS 131 Ca 0.24 1.69 0.31 0.00 -0.15 0.00 0.00 55.06 57.15 2kmg s HIS 131 Cb 0.20 -2.86 1.63 0.00 1.11 0.00 0.00 32.58 32.65 2kmg s HIS 131 CO 0.50 0.18 2.13 -1.00 -0.85 0.00 0.00 174.74 175.71 2kmg h PRO 132 N 3.00 0.00 -0.65 8.40 0.13 -1.88 -1.21 132.00 139.78 2kmg h PRO 132 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kmg h PRO 132 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kmg h PRO 132 CO 0.64 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 2kmg n GLU 133 N -3.55 3.88 -0.33 0.86 4.71 -1.26 -4.60 120.64 120.35 2kmg n GLU 133 Ca -0.02 -2.94 0.17 0.00 -0.01 0.00 0.00 57.16 54.37 2kmg n GLU 133 Cb 0.20 -1.94 0.34 0.00 -1.01 0.00 0.00 31.44 29.03 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kmg h ALA 134 N 4.12 1.36 -0.67 0.62 0.00 -1.37 0.55 119.26 123.86 2kmg h ALA 134 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2kmg h ALA 134 Cb 1.52 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 2kmg h ALA 134 CO 0.26 -0.62 0.27 0.00 0.00 0.00 0.00 179.25 179.16 2kmg h ALA 135 N 1.95 0.89 -0.20 0.00 0.00 -1.84 -0.26 119.26 119.81 2kmg h ALA 135 Ca 0.63 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.45 2kmg h ALA 135 Cb 1.39 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2kmg h ALA 135 CO -0.85 -0.17 -0.60 0.00 0.00 0.00 0.00 179.25 177.63 2kmg h ALA 136 N 1.45 0.56 0.23 0.00 0.00 -0.32 -2.85 119.26 118.33 2kmg h ALA 136 Ca 0.34 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kmg h ALA 136 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kmg h ALA 136 CO -0.32 0.69 -0.11 0.82 0.00 0.00 0.00 179.25 180.33 2kmg h ILE 137 N 0.51 0.84 -0.41 0.00 2.04 -0.43 -0.64 117.51 119.41 2kmg h ILE 137 Ca -0.00 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 2kmg h ILE 137 Cb 1.18 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2kmg h ILE 137 CO 0.12 0.10 -0.06 0.10 0.00 0.00 0.00 178.15 178.41 2kmg h TYR 138 N -0.54 0.75 -0.08 1.37 -0.00 -1.18 -2.41 116.97 114.88 2kmg h TYR 138 Ca -0.03 -0.12 -0.14 0.00 -0.00 0.00 0.00 58.73 58.44 2kmg h TYR 138 Cb 0.40 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2kmg h TYR 138 CO 0.00 0.74 -0.57 0.07 -0.00 0.00 0.00 178.16 178.40 2kmg h ARG 139 N 0.65 0.25 -0.21 0.10 0.11 -1.51 0.40 114.38 114.17 2kmg h ARG 139 Ca 0.12 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 2kmg h ARG 139 Cb 0.50 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2kmg h ARG 139 CO 0.03 0.75 -0.19 0.00 0.10 0.00 0.00 179.97 180.65 2kmg h ALA 140 N 1.21 1.29 0.00 0.08 0.00 -0.69 -2.70 119.26 118.45 2kmg h ALA 140 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kmg h ALA 140 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kmg h ALA 140 CO 0.09 0.47 -1.01 0.44 0.00 0.00 0.00 179.25 179.24 2kmg n ILE 141 N -4.18 0.34 1.53 0.00 -5.35 -0.95 -4.61 119.36 106.14 2kmg n ILE 141 Ca -0.00 -0.37 0.14 0.00 -0.27 0.00 0.00 62.75 62.25 2kmg n ILE 141 Cb 0.34 -0.06 0.55 0.00 -1.74 0.00 0.00 39.64 38.74 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12