#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 4.90 -0.00 6.12 0.01 -1.26 -5.04 114.94 119.67 2kmg s ASN 2 Ca 0.00 -0.57 0.10 0.00 -0.71 0.00 0.00 52.86 51.68 2kmg s ASN 2 Cb 0.00 0.01 -0.11 0.00 0.41 0.00 0.00 41.25 41.55 2kmg s ASN 2 CO 0.00 -1.46 0.44 0.35 -1.51 0.00 0.00 177.10 174.92 2kmg n THR 3 N -2.42 0.00 0.00 1.60 -2.24 -1.26 -4.94 114.28 105.02 2kmg n THR 3 Ca 0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2kmg n THR 3 Cb 0.61 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2kmg n THR 3 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kmg n GLU 4 N -1.26 0.00 -0.73 -0.78 0.28 -1.26 -5.12 120.64 111.78 2kmg n GLU 4 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.72 2kmg n GLU 4 Cb 0.16 0.00 0.26 0.00 1.43 0.00 0.00 31.44 33.30 2kmg n GLU 4 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kmg s GLU 5 N 0.34 -2.03 -0.08 3.44 2.02 -1.26 -5.04 118.70 116.08 2kmg s GLU 5 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2kmg s GLU 5 Cb 0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 2kmg s GLU 5 CO 0.00 -4.27 -0.07 1.14 0.02 0.00 0.00 175.26 172.08 2kmg s GLN 6 N -5.21 2.88 0.00 1.61 1.03 -1.26 -4.60 119.66 114.11 2kmg s GLN 6 Ca 0.70 -0.55 0.05 0.00 0.04 0.00 0.00 55.36 55.61 2kmg s GLN 6 Cb -0.12 -2.63 0.33 0.00 0.03 0.00 0.00 33.01 30.61 2kmg s GLN 6 CO 0.57 0.60 0.77 -2.30 -2.54 0.00 0.00 175.29 172.39 2kmg n PRO 7 N 2.42 0.46 -2.92 9.60 -0.02 -1.26 -4.73 135.00 138.54 2kmg n PRO 7 Ca -0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 2kmg n PRO 7 Cb 0.53 -1.19 -0.04 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 -2.00 4.94 -0.03 -1.45 1.01 -1.26 -5.02 120.40 116.60 2kmg s VAL 8 Ca 0.08 1.69 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 2kmg s VAL 8 Cb 0.04 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2kmg s VAL 8 CO 0.06 0.23 0.08 0.42 0.00 0.00 0.00 175.10 175.90 2kmg s THR 9 N 0.77 0.00 0.79 3.92 -4.23 -1.26 -4.89 115.64 110.74 2kmg s THR 9 Ca 0.43 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.79 2kmg s THR 9 Cb -0.19 -0.13 0.07 0.00 1.34 0.00 0.00 72.50 73.58 2kmg s THR 9 CO 0.22 -0.01 1.15 0.00 -0.54 0.00 0.00 174.62 175.44 2kmg s ALA 10 N -0.00 2.61 0.11 3.99 0.00 -1.26 -3.69 121.76 123.52 2kmg s ALA 10 Ca -0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 2kmg s ALA 10 Cb -0.01 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2kmg s ALA 10 CO 0.00 -1.60 0.25 0.45 0.00 0.00 0.00 175.76 174.87 2kmg s SER 11 N -4.44 0.03 -0.31 0.00 0.15 0.66 -4.89 113.70 104.91 2kmg s SER 11 Ca 0.61 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 2kmg s SER 11 Cb -0.12 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2kmg s SER 11 CO 0.50 -0.78 0.29 -0.22 1.20 0.00 0.00 173.24 174.23 2kmg s LEU 12 N -2.86 4.25 0.26 3.45 2.96 -1.26 -0.29 118.68 125.19 2kmg s LEU 12 Ca 0.06 -0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2kmg s LEU 12 Cb 0.04 -2.25 -0.08 0.00 0.50 0.00 0.00 46.19 44.40 2kmg s LEU 12 CO -0.10 -0.20 0.67 0.54 -1.32 0.00 0.00 176.35 175.94 2kmg s VAL 13 N 1.89 4.73 0.67 1.68 0.11 -1.19 -4.97 120.40 123.32 2kmg s VAL 13 Ca 0.10 0.90 -0.17 0.00 -2.93 0.00 0.00 61.98 59.88 2kmg s VAL 13 Cb -0.16 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 30.95 2kmg s VAL 13 CO 0.11 -0.03 0.47 0.00 -3.33 0.00 0.00 175.10 172.31 2kmg n ALA 14 N 0.04 -1.54 0.12 1.54 0.00 -1.26 -4.72 120.51 114.68 2kmg n ALA 14 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2kmg n ALA 14 Cb 0.52 -1.81 0.09 0.00 0.00 0.00 0.00 19.45 18.26 2kmg n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kmg h GLU 15 N -0.15 0.00 -0.01 0.00 4.11 -1.99 0.67 114.58 117.22 2kmg h GLU 15 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kmg h GLU 15 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2kmg h GLU 15 CO 0.44 0.71 -0.11 0.00 0.07 0.00 0.00 179.01 180.12 2kmg n ALA 16 N -2.39 2.77 0.03 1.06 0.00 -1.26 -3.67 120.51 117.06 2kmg n ALA 16 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.14 2kmg n ALA 16 Cb 0.71 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.77 1.93 0.27 0.00 1.13 -1.12 -4.57 117.38 114.26 2kmg n GLN 17 Ca 0.16 -0.01 0.17 0.00 -1.94 0.00 0.00 57.00 55.37 2kmg n GLN 17 Cb 0.28 -0.92 0.65 0.00 0.11 0.00 0.00 30.24 30.37 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 -0.94 0.11 114.38 112.58 2kmg h ARG 18 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2kmg h ARG 18 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 2kmg h ARG 18 CO 0.00 0.01 -0.18 1.37 0.10 0.00 0.00 179.97 181.27 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.81 -2.95 115.31 118.73 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 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2kmg h LEU 19 CO 0.00 0.18 -0.91 -0.67 -4.11 0.00 0.00 178.44 172.94 2kmg n ASP 20 N -3.68 2.11 -0.22 0.17 2.03 -0.97 -4.60 116.55 111.39 2kmg n ASP 20 Ca -0.01 -0.28 -0.08 0.00 0.52 0.00 0.00 54.79 54.94 2kmg n ASP 20 Cb 0.30 1.19 0.03 0.00 -0.72 0.00 0.00 41.12 41.92 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 1.03 0.37 -0.67 3.57 -0.63 -0.78 116.94 119.84 2kmg h PHE 21 Ca 0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 2kmg h PHE 21 Cb 0.26 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2kmg h PHE 21 CO 0.00 0.87 -0.18 1.25 -2.23 0.00 0.00 178.31 178.02 2kmg h LEU 22 N 0.89 -0.43 -0.42 0.59 7.12 -1.78 -1.19 115.31 120.09 2kmg h LEU 22 Ca 0.19 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.14 2kmg h LEU 22 Cb 0.37 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 2kmg h LEU 22 CO 0.00 -0.20 0.00 -0.81 -0.13 0.00 0.00 178.44 177.31 2kmg n PRO 23 N -5.25 0.12 0.02 5.25 -0.04 -1.21 -0.47 135.00 133.42 2kmg n PRO 23 Ca -0.10 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2kmg n PRO 23 Cb 0.25 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 31.85 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 1.03 0.00 0.52 2.02 -0.83 -0.19 112.91 115.46 2kmg h THR 24 Ca 0.00 -2.77 -0.25 0.00 0.77 0.00 0.00 66.41 64.15 2kmg h THR 24 Cb 0.32 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.29 2kmg h THR 24 CO 0.00 0.72 -2.14 -1.22 0.37 0.00 0.00 175.52 173.25 2kmg n TYR 25 N -3.29 0.18 -0.10 3.16 4.02 -0.48 -4.60 117.16 116.04 2kmg n TYR 25 Ca -0.17 0.06 -0.18 0.00 -0.01 0.00 0.00 57.90 57.60 2kmg n TYR 25 Cb 1.03 -0.90 -0.09 0.00 -0.02 0.00 0.00 39.34 39.37 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 -2.66 0.00 0.00 -0.72 7.35 0.38 -5.00 117.46 116.80 2kmg n PHE 26 Ca -0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 2kmg n PHE 26 Cb 0.97 -0.78 0.00 0.00 0.35 0.00 0.00 39.48 40.02 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 2.14 4.85 0.28 7.13 0.00 -0.64 -4.73 105.19 114.22 2kmg n GLY 27 Ca -0.39 -0.85 0.17 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.40 -0.63 132.00 131.71 2kmg h PRO 28 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 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 -2.35 -2.13 -0.23 0.00 0.00 178.00 173.29 2kmg n ARG 29 N -2.76 0.74 0.15 0.86 3.00 -1.26 -4.47 116.66 112.92 2kmg n ARG 29 Ca -0.02 0.07 0.01 0.00 -0.00 0.00 0.00 57.85 57.91 2kmg n ARG 29 Cb 0.13 -1.49 0.22 0.00 0.00 0.00 0.00 32.46 31.32 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 -0.97 6.15 3.38 -1.66 -3.30 115.31 118.91 2kmg h LEU 30 Ca -0.53 0.00 0.34 0.00 0.09 0.00 0.00 57.88 57.78 2kmg h LEU 30 Cb 1.99 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.64 2kmg h LEU 30 CO -0.03 0.54 0.62 1.15 0.09 0.00 0.00 178.44 180.80 2kmg n MET 31 N -3.71 -0.03 -0.09 1.13 0.00 -0.31 0.97 117.12 115.08 2kmg n MET 31 Ca -0.01 0.91 -0.16 0.00 0.00 0.00 0.00 57.70 58.44 2kmg n MET 31 Cb 0.58 -1.78 -0.13 0.00 0.00 0.00 0.00 33.22 31.89 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 -4.17 0.68 0.29 3.17 0.00 -1.24 -3.12 117.12 112.73 2kmg n MET 32 Ca 0.29 0.14 0.18 0.00 0.00 0.00 0.00 57.70 58.31 2kmg n MET 32 Cb 1.12 -1.57 0.87 0.00 0.00 0.00 0.00 33.22 33.64 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 0.01 0.00 0.00 3.17 3.08 0.51 -2.67 114.38 118.48 2kmg h ARG 33 Ca -0.52 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.17 2kmg h ARG 33 Cb 2.02 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.01 2kmg h ARG 33 CO -0.02 0.04 -2.31 0.41 -1.07 0.00 0.00 179.97 177.02 2kmg n GLY 34 N -0.55 -0.33 0.37 0.04 0.00 0.25 -3.83 105.19 101.14 2kmg n GLY 34 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.15 1.18 0.00 1.61 4.11 -1.55 -0.68 114.58 119.09 2kmg h GLU 35 Ca -0.53 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 58.76 2kmg h GLU 35 Cb 1.75 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2kmg h GLU 35 CO -0.13 0.78 -0.32 0.00 0.07 0.00 0.00 179.01 179.41 2kmg h ALA 36 N 1.44 0.86 -0.01 1.06 0.00 -1.70 -3.19 119.26 117.73 2kmg h ALA 36 Ca 0.42 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 2kmg h ALA 36 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kmg h ALA 36 CO -0.16 0.40 -0.92 1.25 0.00 0.00 0.00 179.25 179.83 2kmg h LEU 37 N 0.00 0.50 -0.27 0.00 5.85 -1.27 -2.01 115.31 118.11 2kmg h LEU 37 Ca -0.00 -0.39 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 2kmg h LEU 37 Cb 1.06 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2kmg h LEU 37 CO 0.04 1.19 -0.44 -0.37 -0.34 0.00 0.00 178.44 178.52 2kmg h VAL 38 N 0.22 1.30 0.00 1.05 -1.51 -1.32 -3.01 116.25 112.97 2kmg h VAL 38 Ca -0.07 -1.63 -0.09 0.00 -1.23 0.00 0.00 66.70 63.68 2kmg h VAL 38 Cb 1.55 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 2kmg h VAL 38 CO 0.16 0.52 -0.41 0.10 -1.23 0.00 0.00 177.57 176.71 2kmg h TYR 39 N 0.52 0.00 -0.81 5.19 -0.00 -1.62 -2.85 116.97 117.39 2kmg h TYR 39 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.74 2kmg h TYR 39 Cb 1.04 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.73 2kmg h TYR 39 CO 0.08 0.41 0.46 0.00 -0.00 0.00 0.00 178.16 179.11 2kmg h ALA 40 N 1.59 1.03 0.01 0.10 0.00 -1.23 -1.93 119.26 118.83 2kmg h ALA 40 Ca -0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 2kmg h ALA 40 Cb 0.99 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kmg h ALA 40 CO 0.05 0.53 -0.88 -1.49 0.00 0.00 0.00 179.25 177.46 2kmg h TRP 41 N 1.12 0.28 0.24 0.00 4.06 -1.48 -3.30 115.95 116.86 2kmg h TRP 41 Ca 0.29 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 2kmg h TRP 41 Cb 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 2kmg h TRP 41 CO 0.00 0.97 -0.12 1.98 -3.56 0.00 0.00 178.44 177.72 2kmg h MET 42 N 0.10 -0.31 0.00 0.49 4.05 -1.21 -1.66 114.93 116.39 2kmg h MET 42 Ca -0.04 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kmg h MET 42 Cb 1.51 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.39 2kmg h MET 42 CO 0.13 -0.19 0.00 2.89 0.23 0.00 0.00 176.91 179.98 2kmg n ARG 43 N -5.22 0.01 -0.04 0.39 1.85 -0.77 -1.45 116.66 111.43 2kmg n ARG 43 Ca -0.09 0.40 -0.14 0.00 -1.00 0.00 0.00 57.85 57.02 2kmg n ARG 43 Cb 0.16 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.93 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 -1.46 0.68 0.18 2.89 1.74 -0.69 -4.18 116.66 115.83 2kmg n ARG 44 Ca 0.01 0.21 0.02 0.00 -0.77 0.00 0.00 57.85 57.32 2kmg n ARG 44 Cb 0.04 -1.68 0.35 0.00 -1.02 0.00 0.00 32.46 30.14 2kmg n ARG 44 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kmg h LEU 45 N 0.02 0.00 -8.27 0.55 3.38 -0.56 -3.43 115.31 107.00 2kmg h LEU 45 Ca -0.41 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.95 2kmg h LEU 45 Cb 2.05 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 42.48 2kmg h LEU 45 CO 0.05 0.38 -0.85 0.00 0.09 0.00 0.00 178.44 178.11 2kmg h GLU 47 N 6.36 0.00 -1.68 0.00 4.11 -1.82 -3.24 114.58 118.31 2kmg h GLU 47 Ca -0.30 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.47 2kmg h GLU 47 Cb 1.19 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.07 2kmg h GLU 47 CO 0.47 0.45 -0.07 2.89 0.07 0.00 0.00 179.01 182.83 2kmg n ARG 48 N -3.39 3.18 -3.74 1.06 1.85 -1.26 -4.94 116.66 109.42 2kmg n ARG 48 Ca 0.01 -4.14 -0.36 0.00 -1.00 0.00 0.00 57.85 52.36 2kmg n ARG 48 Cb 0.62 -2.26 -0.10 0.00 -1.05 0.00 0.00 32.46 29.67 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 -3.74 3.48 -0.01 2.89 6.14 -1.22 -4.96 117.35 119.92 2kmg s TYR 49 Ca 0.50 -2.60 -0.22 0.00 0.64 0.00 0.00 57.07 55.39 2kmg s TYR 49 Cb 0.42 -3.21 -0.13 0.00 0.42 0.00 0.00 41.96 39.46 2kmg s TYR 49 CO -0.27 -0.89 0.93 -0.91 0.64 0.00 0.00 175.55 175.05 2kmg h ASN 50 N 7.44 -0.57 0.00 4.32 -0.26 -1.92 -3.44 115.58 121.16 2kmg h ASN 50 Ca -0.07 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 2kmg h ASN 50 Cb 0.99 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 2kmg h ASN 50 CO 0.71 -0.16 0.00 0.61 -1.06 0.00 0.00 177.43 177.53 2kmg n GLY 51 N -0.12 -1.62 4.02 2.83 0.00 -1.26 -5.02 105.19 104.01 2kmg n GLY 51 Ca -0.09 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.30 -2.58 -0.60 4.61 0.00 -1.26 -4.94 121.76 115.69 2kmg s ALA 52 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 2kmg s ALA 52 Cb 0.00 0.93 0.10 0.00 0.00 0.00 0.00 23.12 24.15 2kmg s ALA 52 CO 0.00 -1.16 0.73 0.71 0.00 0.00 0.00 175.76 176.04 2kmg s TYR 53 N -2.01 2.96 -1.24 0.00 2.02 -1.26 -4.68 117.35 113.14 2kmg s TYR 53 Ca 0.31 -0.91 -0.20 0.00 -0.37 0.00 0.00 57.07 55.89 2kmg s TYR 53 Cb -0.01 -4.05 -0.01 0.00 -0.40 0.00 0.00 41.96 37.50 2kmg s TYR 53 CO -0.01 -1.34 1.85 0.91 -1.57 0.00 0.00 175.55 175.39 2kmg n TRP 54 N 6.49 3.64 -1.53 2.71 8.01 -1.25 -0.90 117.44 134.61 2kmg n TRP 54 Ca -0.09 -2.18 -0.41 0.00 -1.31 0.00 0.00 57.50 53.51 2kmg n TRP 54 Cb 0.43 -2.60 0.01 0.00 -2.01 0.00 0.00 31.31 27.14 2kmg n TRP 54 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2kmg n HIS 55 N 11.04 0.31 -3.16 -5.99 8.25 0.43 -4.36 115.22 121.74 2kmg n HIS 55 Ca 0.47 0.58 -0.39 0.00 -0.26 0.00 0.00 57.72 58.12 2kmg n HIS 55 Cb 0.46 -2.10 -0.05 0.00 1.12 0.00 0.00 29.99 29.41 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 -1.38 3.51 -0.00 4.41 2.02 -1.26 -1.88 117.35 122.76 2kmg s TYR 56 Ca 0.64 1.05 0.07 0.00 -0.37 0.00 0.00 57.07 58.46 2kmg s TYR 56 Cb -0.58 -2.71 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 2kmg s TYR 56 CO 0.57 0.07 -0.22 0.71 -1.57 0.00 0.00 175.55 175.11 2kmg s TYR 57 N 0.94 2.45 -0.18 2.71 2.02 0.08 -3.18 117.35 122.20 2kmg s TYR 57 Ca 0.31 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 2kmg s TYR 57 Cb -0.16 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 2kmg s TYR 57 CO 0.14 0.10 0.09 0.00 -1.57 0.00 0.00 175.55 174.31 2kmg s ALA 58 N -0.74 3.57 -0.04 3.71 0.00 0.60 -2.51 121.76 126.36 2kmg s ALA 58 Ca 0.12 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2kmg s ALA 58 Cb -0.10 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 2kmg s ALA 58 CO 0.01 0.25 -0.07 -0.51 0.00 0.00 0.00 175.76 175.44 2kmg s LEU 59 N 0.13 3.18 0.13 0.00 1.43 -1.06 -0.24 118.68 122.23 2kmg s LEU 59 Ca 0.07 -0.07 0.26 0.00 -1.03 0.00 0.00 54.13 53.36 2kmg s LEU 59 Cb -0.12 -1.75 0.97 0.00 0.03 0.00 0.00 46.19 45.32 2kmg s LEU 59 CO -0.00 0.33 1.80 -1.20 0.23 0.00 0.00 176.35 177.51 2kmg n SER 60 N 1.93 0.45 0.27 2.29 7.64 -1.24 -3.05 113.62 121.91 2kmg n SER 60 Ca -0.17 0.55 0.16 0.00 1.01 0.00 0.00 58.87 60.42 2kmg n SER 60 Cb 0.53 -0.67 0.68 0.00 -1.01 0.00 0.00 64.21 63.74 2kmg n SER 60 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2kmg h ASP 61 N 0.00 0.00 0.00 6.43 3.04 -1.92 -3.46 116.42 120.51 2kmg h ASP 61 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2kmg h ASP 61 Cb 0.58 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 2kmg h ASP 61 CO 0.00 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 2kmg n GLY 62 N -0.10 1.20 0.00 7.15 0.00 -1.17 -5.01 105.19 107.26 2kmg n GLY 62 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 5.32 3.62 -0.02 0.00 -1.25 -4.95 105.19 107.90 2kmg n GLY 63 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 2kmg n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kmg s PHE 64 N 2.76 -0.08 0.05 1.61 -0.71 -1.26 -2.57 117.98 117.78 2kmg s PHE 64 Ca 0.00 0.08 -0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2kmg s PHE 64 Cb 0.00 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 2kmg s PHE 64 CO 0.00 -0.11 -0.04 1.52 -1.34 0.00 0.00 175.22 175.26 2kmg s TYR 65 N -1.84 0.55 -0.01 3.49 1.13 -1.04 -4.96 117.35 114.67 2kmg s TYR 65 Ca 0.09 -0.95 0.07 0.00 -1.41 0.00 0.00 57.07 54.87 2kmg s TYR 65 Cb -0.01 -0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 40.44 2kmg s TYR 65 CO -0.04 -0.31 -0.22 -1.64 -2.51 0.00 0.00 175.55 170.83 2kmg s MET 66 N -3.50 2.14 -0.06 -3.49 -1.94 -1.26 -0.74 119.30 110.45 2kmg s MET 66 Ca 0.04 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.11 2kmg s MET 66 Cb 0.05 -2.13 0.02 0.00 2.01 0.00 0.00 34.83 34.78 2kmg s MET 66 CO -0.08 0.56 -0.05 0.00 -0.01 0.00 0.00 175.02 175.45 2kmg s ALA 67 N -0.71 0.81 0.97 3.03 0.00 -0.79 -4.44 121.76 120.63 2kmg s ALA 67 Ca 0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2kmg s ALA 67 Cb -0.10 -0.55 0.17 0.00 0.00 0.00 0.00 23.12 22.64 2kmg s ALA 67 CO 0.01 -0.12 1.06 -2.30 0.00 0.00 0.00 175.76 174.41 2kmg n PRO 68 N 4.31 -0.85 -3.42 0.00 -0.02 -1.24 -0.43 135.00 133.35 2kmg n PRO 68 Ca -0.20 -0.19 -0.44 0.00 -2.02 0.00 0.00 63.50 60.64 2kmg n PRO 68 Cb 0.51 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2kmg n PRO 68 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kmg s ASP 69 N -2.55 6.44 -0.14 2.55 2.15 -0.08 -4.47 116.67 120.57 2kmg s ASP 69 Ca 0.67 -2.80 -0.04 0.00 0.43 0.00 0.00 52.55 50.81 2kmg s ASP 69 Cb -0.23 -2.13 0.06 0.00 -0.30 0.00 0.00 42.92 40.32 2kmg s ASP 69 CO 0.60 -0.50 0.14 -0.76 -0.17 0.00 0.00 175.17 174.47 2kmg s LEU 70 N 0.00 0.09 -0.37 -1.34 1.43 -1.26 -4.39 118.68 112.85 2kmg s LEU 70 Ca 0.19 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 2kmg s LEU 70 Cb -0.12 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.16 2kmg s LEU 70 CO -0.08 -0.30 0.51 0.00 0.23 0.00 0.00 176.35 176.71 2kmg s ALA 71 N 2.23 3.46 0.00 4.21 0.00 -1.26 -3.21 121.76 127.19 2kmg s ALA 71 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kmg s ALA 71 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2kmg s ALA 71 CO -0.08 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.77 2kmg n GLY 72 N 4.87 0.86 3.37 0.00 0.00 -1.26 -5.03 105.19 108.00 2kmg n GLY 72 Ca -0.05 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.00 3.03 -0.55 1.61 0.52 -1.26 -4.47 118.95 115.82 2kmg s ARG 73 Ca 0.00 -1.35 -0.23 0.00 -0.52 0.00 0.00 55.73 53.63 2kmg s ARG 73 Cb 0.00 -4.21 0.05 0.00 0.52 0.00 0.00 34.95 31.31 2kmg s ARG 73 CO 0.00 -1.31 0.86 -0.51 0.02 0.00 0.00 175.30 174.36 2kmg s LEU 74 N 2.15 4.37 -0.89 2.53 1.43 -0.35 -4.88 118.68 123.04 2kmg s LEU 74 Ca 0.08 -0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 52.36 2kmg s LEU 74 Cb -0.25 -2.68 -0.09 0.00 0.03 0.00 0.00 46.19 43.20 2kmg s LEU 74 CO 0.07 -1.16 2.13 -0.70 0.23 0.00 0.00 176.35 176.91 2kmg s GLU 75 N 3.61 2.11 -0.42 1.70 2.12 -1.26 -1.48 118.70 125.08 2kmg s GLU 75 Ca 0.25 -0.08 -0.10 0.00 0.36 0.00 0.00 54.97 55.41 2kmg s GLU 75 Cb -0.15 -4.97 0.08 0.00 0.26 0.00 0.00 34.13 29.35 2kmg s GLU 75 CO 0.16 -3.96 0.26 0.42 -0.54 0.00 0.00 175.26 171.61 2kmg s ILE 76 N 12.34 4.31 -0.56 -3.70 -1.09 -1.19 -4.60 121.20 126.71 2kmg s ILE 76 Ca 0.79 -1.35 -0.18 0.00 -2.23 0.00 0.00 60.65 57.68 2kmg s ILE 76 Cb -0.08 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.28 2kmg s ILE 76 CO 0.05 -0.50 0.63 -1.83 -1.23 0.00 0.00 174.94 172.06 2kmg s GLU 77 N 1.45 3.04 -0.25 2.79 -1.05 0.20 -3.48 118.70 121.39 2kmg s GLU 77 Ca 0.03 -1.35 -0.29 0.00 -0.15 0.00 0.00 54.97 53.21 2kmg s GLU 77 Cb -0.23 -4.24 -0.01 0.00 -0.44 0.00 0.00 34.13 29.21 2kmg s GLU 77 CO 0.03 -1.43 1.39 0.14 0.95 0.00 0.00 175.26 176.34 2kmg s VAL 78 N 2.39 4.02 0.27 1.83 -7.23 -1.03 -4.44 120.40 116.20 2kmg s VAL 78 Ca 0.10 1.16 0.10 0.00 -1.81 0.00 0.00 61.98 61.53 2kmg s VAL 78 Cb -0.25 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.67 2kmg s VAL 78 CO 0.06 -0.37 1.60 0.78 -0.31 0.00 0.00 175.10 176.87 2kmg h ASN 79 N 9.56 0.03 -1.13 4.85 2.35 -1.87 0.47 115.58 129.84 2kmg h ASN 79 Ca -0.29 -0.02 0.32 0.00 -0.55 0.00 0.00 56.30 55.76 2kmg h ASN 79 Cb 1.12 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.38 2kmg h ASN 79 CO 1.01 0.64 0.74 1.23 -1.65 0.00 0.00 177.43 179.40 2kmg h GLY 80 N 1.81 1.13 -0.24 2.83 0.00 -1.90 -2.90 103.07 103.81 2kmg h GLY 80 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2kmg h GLY 80 CO 0.08 -0.20 -0.12 1.16 0.00 0.00 0.00 176.54 177.47 2kmg n ASN 81 N -4.61 0.00 -2.09 0.19 0.23 -1.20 -5.01 115.26 102.78 2kmg n ASN 81 Ca 0.29 -1.23 -0.20 0.00 -0.53 0.00 0.00 54.58 52.91 2kmg n ASN 81 Cb 1.07 -0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 38.68 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 0.40 3.52 4.83 0.00 0.16 -4.92 105.19 109.18 2kmg n GLY 82 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.85 2.65 -0.39 1.61 5.36 -0.85 -4.88 117.98 118.63 2kmg s PHE 83 Ca 0.00 -0.05 -0.22 0.00 -0.96 0.00 0.00 56.93 55.70 2kmg s PHE 83 Cb 0.00 -4.29 0.01 0.00 -0.34 0.00 0.00 43.02 38.40 2kmg s PHE 83 CO 0.00 -1.58 0.70 0.50 -1.46 0.00 0.00 175.22 173.38 2kmg s ARG 84 N 4.45 3.59 -0.26 10.12 3.52 -1.26 -2.47 118.95 136.64 2kmg s ARG 84 Ca 0.32 0.03 -0.26 0.00 -0.13 0.00 0.00 55.73 55.69 2kmg s ARG 84 Cb -0.12 -3.85 0.12 0.00 -1.56 0.00 0.00 34.95 29.54 2kmg s ARG 84 CO 0.18 -0.88 0.99 0.20 -0.81 0.00 0.00 175.30 174.98 2kmg s GLY 85 N 1.90 -0.21 -0.14 8.12 0.00 -1.23 -5.03 107.32 110.73 2kmg s GLY 85 Ca 0.27 2.52 -0.29 0.00 0.00 0.00 0.00 44.72 47.22 2kmg s GLY 85 CO 0.17 1.73 1.00 -0.54 0.00 0.00 0.00 173.10 175.47 2kmg s GLU 86 N 0.09 4.38 0.36 2.90 2.02 -1.26 -3.14 118.70 124.05 2kmg s GLU 86 Ca 0.02 1.36 0.06 0.00 0.02 0.00 0.00 54.97 56.43 2kmg s GLU 86 Cb -0.04 -3.57 -0.07 0.00 0.10 0.00 0.00 34.13 30.55 2kmg s GLU 86 CO -0.04 -0.38 0.02 -0.51 0.02 0.00 0.00 175.26 174.36 2kmg s LEU 87 N 2.28 2.57 0.51 1.80 2.01 -0.55 -4.80 118.68 122.50 2kmg s LEU 87 Ca 0.47 -1.35 -0.06 0.00 0.01 0.00 0.00 54.13 53.20 2kmg s LEU 87 Cb -0.17 -0.68 -0.03 0.00 0.01 0.00 0.00 46.19 45.31 2kmg s LEU 87 CO 0.15 -0.49 0.83 -0.55 1.01 0.00 0.00 176.35 177.30 2kmg s SER 88 N -3.59 6.23 0.58 2.29 0.15 -1.26 -1.21 113.70 116.88 2kmg s SER 88 Ca 0.35 1.00 0.28 0.00 0.70 0.00 0.00 55.95 58.28 2kmg s SER 88 Cb 0.09 -2.26 1.55 0.00 -1.71 0.00 0.00 66.02 63.69 2kmg s SER 88 CO 0.16 -0.65 2.03 0.00 1.20 0.00 0.00 173.24 175.99 2kmg h ALA 89 N 0.12 2.03 0.00 5.45 0.00 -1.81 0.25 119.26 125.30 2kmg h ALA 89 Ca -0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kmg h ALA 89 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kmg h ALA 89 CO 0.62 -0.45 -0.04 0.22 0.00 0.00 0.00 179.25 179.59 2kmg h ASP 90 N 0.00 0.00 0.22 0.00 1.82 -1.86 -1.46 116.42 115.14 2kmg h ASP 90 Ca 0.14 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2kmg h ASP 90 Cb 0.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2kmg h ASP 90 CO -0.00 0.63 0.00 0.00 -1.61 0.00 0.00 179.24 178.26 2kmg h ALA 91 N -0.79 1.00 0.02 -0.78 0.00 -1.83 -1.94 119.26 114.95 2kmg h ALA 91 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2kmg h ALA 91 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2kmg h ALA 91 CO -0.00 0.00 -2.15 0.00 0.00 0.00 0.00 179.25 177.10 2kmg n ALA 92 N -1.94 1.37 0.33 0.00 0.00 0.85 -4.07 120.51 117.04 2kmg n ALA 92 Ca -0.01 -0.99 0.21 0.00 0.00 0.00 0.00 53.44 52.65 2kmg n ALA 92 Cb 0.11 -0.44 1.12 0.00 0.00 0.00 0.00 19.45 20.23 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 2.88 0.00 0.83 0.00 0.00 -0.46 -1.86 103.07 104.46 2kmg h GLY 93 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2kmg h GLY 93 CO 0.03 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.30 2kmg h ILE 94 N 0.00 1.28 0.00 2.60 1.08 -1.65 -2.33 117.51 118.49 2kmg h ILE 94 Ca -0.00 -1.02 -0.09 0.00 -0.39 0.00 0.00 64.86 63.36 2kmg h ILE 94 Cb 0.08 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2kmg h ILE 94 CO 0.00 0.32 -0.42 0.58 -0.69 0.00 0.00 178.15 177.93 2kmg h VAL 95 N 0.18 1.02 -0.05 1.67 2.07 -1.55 -1.98 116.25 117.60 2kmg h VAL 95 Ca 0.06 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 2kmg h VAL 95 Cb 0.49 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2kmg h VAL 95 CO 0.02 0.41 -0.11 0.00 0.02 0.00 0.00 177.57 177.92 2kmg h ALA 96 N 1.58 0.09 -0.19 1.67 0.00 -1.31 -2.79 119.26 118.31 2kmg h ALA 96 Ca -0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 2kmg h ALA 96 Cb 0.92 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kmg h ALA 96 CO 0.06 -0.04 -0.72 0.00 0.00 0.00 0.00 179.25 178.55 2kmg h THR 97 N -0.34 1.28 -0.00 0.00 1.03 -1.45 -3.16 112.91 110.27 2kmg h THR 97 Ca 0.00 -1.91 0.02 0.00 -0.01 0.00 0.00 66.41 64.51 2kmg h THR 97 Cb 0.69 1.89 -0.03 0.00 -1.07 0.00 0.00 68.15 69.63 2kmg h THR 97 CO 0.02 0.61 -0.13 -0.07 -0.01 0.00 0.00 175.52 175.94 2kmg h LEU 98 N 0.57 -0.39 -1.80 0.00 3.38 -1.44 -1.90 115.31 113.73 2kmg h LEU 98 Ca -0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2kmg h LEU 98 Cb 1.34 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2kmg h LEU 98 CO 0.15 -0.19 0.29 -0.26 0.09 0.00 0.00 178.44 178.52 2kmg h PHE 99 N -0.22 0.24 -0.46 1.13 -1.00 -1.56 -1.59 116.94 113.47 2kmg h PHE 99 Ca 0.05 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.74 2kmg h PHE 99 Cb 0.29 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2kmg h PHE 99 CO -0.19 0.12 -0.08 0.00 -1.61 0.00 0.00 178.31 176.55 2kmg h ALA 100 N 1.78 0.63 -0.72 2.45 0.00 -1.32 -2.93 119.26 119.15 2kmg h ALA 100 Ca 0.20 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kmg h ALA 100 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2kmg h ALA 100 CO -0.04 0.51 0.46 -0.07 0.00 0.00 0.00 179.25 180.11 2kmg h LEU 101 N 0.72 0.76 -1.18 0.00 3.38 -0.78 -1.56 115.31 116.65 2kmg h LEU 101 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kmg h LEU 101 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2kmg h LEU 101 CO 0.04 0.53 0.00 1.23 0.09 0.00 0.00 178.44 180.33 2kmg h GLY 102 N 0.90 0.00 0.43 0.83 0.00 -1.42 -2.86 103.07 100.95 2kmg h GLY 102 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.38 2kmg h GLY 102 CO -0.10 0.00 -1.20 -1.61 0.00 0.00 0.00 176.54 173.64 2kmg h GLN 103 N 0.00 0.19 -0.67 4.80 4.15 -1.12 -3.28 115.11 119.18 2kmg h GLN 103 Ca 0.00 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 2kmg h GLN 103 Cb 0.41 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 2kmg h GLN 103 CO 0.00 1.15 0.32 -0.07 -1.93 0.00 0.00 178.83 178.31 2kmg h LEU 104 N -0.48 0.86 -1.02 -2.39 3.38 -1.37 0.45 115.31 114.74 2kmg h LEU 104 Ca -0.27 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2kmg h LEU 104 Cb 1.61 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2kmg h LEU 104 CO 0.02 0.73 0.23 0.00 0.09 0.00 0.00 178.44 179.51 2kmg h ALA 105 N 1.41 1.22 -0.00 1.53 0.00 -1.65 -2.58 119.26 119.19 2kmg h ALA 105 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kmg h ALA 105 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kmg h ALA 105 CO -0.03 0.56 -0.68 0.00 0.00 0.00 0.00 179.25 179.10 2kmg n ALA 106 N -2.45 4.00 0.06 0.00 0.00 -0.93 -4.11 120.51 117.07 2kmg n ALA 106 Ca 0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 2kmg n ALA 106 Cb 0.19 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 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 0.18 0.06 -0.73 0.00 4.81 0.26 -3.23 114.58 115.93 2kmg h GLU 107 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2kmg h GLU 107 Cb 0.51 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kmg h GLU 107 CO 0.00 0.97 0.00 0.44 -0.73 0.00 0.00 179.01 179.69 2kmg n ILE 108 N -3.34 1.03 -3.91 2.32 -5.35 -1.02 -5.02 119.36 104.07 2kmg n ILE 108 Ca -0.05 -0.56 0.06 0.00 -0.27 0.00 0.00 62.75 61.93 2kmg n ILE 108 Cb 0.98 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 38.56 2kmg n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmg n ALA 109 N 0.29 -1.14 -2.24 -1.28 0.00 -1.22 -4.34 120.51 110.58 2kmg n ALA 109 Ca 0.11 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.32 2kmg n ALA 109 Cb 0.58 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 2kmg n ALA 109 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kmg s ASP 110 N -4.97 5.62 0.18 0.00 -4.77 -1.26 -4.70 116.67 106.77 2kmg s ASP 110 Ca 0.00 -0.24 0.01 0.00 -3.30 0.00 0.00 52.55 49.02 2kmg s ASP 110 Cb 0.00 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.24 2kmg s ASP 110 CO 0.00 -2.20 0.04 0.42 0.70 0.00 0.00 175.17 174.13 2kmg s THR 111 N 7.89 0.44 0.44 2.11 -4.23 -1.26 -5.02 115.64 116.01 2kmg s THR 111 Ca 0.56 -1.96 0.36 0.00 -1.18 0.00 0.00 61.69 59.47 2kmg s THR 111 Cb -0.09 -2.21 0.38 0.00 1.34 0.00 0.00 72.50 71.92 2kmg s THR 111 CO 0.12 -0.36 2.18 0.44 -0.54 0.00 0.00 174.62 176.46 2kmg h ASP 112 N 2.69 0.00 0.73 3.99 5.19 -1.96 -0.85 116.42 126.20 2kmg h ASP 112 Ca -0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2kmg h ASP 112 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2kmg h ASP 112 CO 0.61 0.03 -0.55 0.00 -3.12 0.00 0.00 179.24 176.21 2kmg n ALA 113 N -2.15 3.13 0.91 3.45 0.00 -1.26 -3.64 120.51 120.96 2kmg n ALA 113 Ca -0.02 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.25 2kmg n ALA 113 Cb 0.18 -1.17 0.51 0.00 0.00 0.00 0.00 19.45 18.98 2kmg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 114 N -1.68 2.07 0.11 0.00 0.00 -0.33 -2.72 120.51 117.96 2kmg n ALA 114 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2kmg n ALA 114 Cb 0.39 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 2kmg n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmg n ASP 115 N -1.38 1.54 -0.05 0.00 2.03 -1.24 -4.46 116.55 112.99 2kmg n ASP 115 Ca 0.08 -0.38 -0.14 0.00 0.52 0.00 0.00 54.79 54.87 2kmg n ASP 115 Cb 0.21 1.06 -0.12 0.00 -0.72 0.00 0.00 41.12 41.54 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg h ALA 116 N 0.43 0.00 0.00 -1.67 0.00 -1.58 -3.22 119.26 113.22 2kmg h ALA 116 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kmg h ALA 116 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kmg h ALA 116 CO 0.00 -0.03 0.00 1.37 0.00 0.00 0.00 179.25 180.59 2kmg h LEU 117 N -0.78 0.00 -1.66 0.00 -0.00 -1.82 -2.55 115.31 108.50 2kmg h LEU 117 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2kmg h LEU 117 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 2kmg h LEU 117 CO 0.01 0.00 -0.03 0.40 -0.00 0.00 0.00 178.44 178.82 2kmg h ILE 118 N 0.00 1.10 -0.60 0.15 1.08 -1.77 -2.48 117.51 114.99 2kmg h ILE 118 Ca 0.00 -0.42 0.09 0.00 -0.39 0.00 0.00 64.86 64.15 2kmg h ILE 118 Cb 0.38 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.11 2kmg h ILE 118 CO 0.00 0.13 0.22 0.44 -0.69 0.00 0.00 178.15 178.25 2kmg h ASP 119 N 0.17 0.21 -0.90 1.72 5.19 -1.57 -0.96 116.42 120.28 2kmg h ASP 119 Ca 0.04 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.60 2kmg h ASP 119 Cb 0.18 0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.69 2kmg h ASP 119 CO 0.01 0.13 0.58 0.03 -3.12 0.00 0.00 179.24 176.86 2kmg h ARG 120 N 0.40 0.96 0.20 3.56 -0.00 -1.64 -0.02 114.38 117.84 2kmg h ARG 120 Ca 0.30 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.72 2kmg h ARG 120 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.13 2kmg h ARG 120 CO -0.31 0.64 -0.10 -0.92 0.00 0.00 0.00 179.97 179.28 2kmg h TYR 121 N 0.99 -0.25 -0.18 3.04 5.03 -1.24 -1.28 116.97 123.08 2kmg h TYR 121 Ca 0.39 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.63 2kmg h TYR 121 Cb 0.24 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 2kmg h TYR 121 CO -0.00 -0.13 -0.17 0.45 -1.32 0.00 0.00 178.16 176.99 2kmg h HIS 122 N -0.30 0.32 0.16 -3.82 3.86 -1.08 -0.32 115.15 113.97 2kmg h HIS 122 Ca -0.03 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2kmg h HIS 122 Cb 0.23 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2kmg h HIS 122 CO -0.05 0.46 -0.08 0.74 0.86 0.00 0.00 177.93 179.86 2kmg h PHE 123 N 0.28 -0.20 -0.31 2.45 0.04 -0.73 -2.96 116.94 115.51 2kmg h PHE 123 Ca 0.05 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 2kmg h PHE 123 Cb 0.47 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 2kmg h PHE 123 CO 0.01 0.10 -0.11 1.25 -0.60 0.00 0.00 178.31 178.96 2kmg h LEU 124 N -0.50 0.63 -1.40 1.54 5.85 -1.17 -3.02 115.31 117.23 2kmg h LEU 124 Ca -0.02 -0.38 0.29 0.00 0.84 0.00 0.00 57.88 58.60 2kmg h LEU 124 Cb 0.39 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 2kmg h LEU 124 CO 0.04 0.87 0.69 -0.09 -0.34 0.00 0.00 178.44 179.61 2kmg h ARG 125 N 0.38 0.33 -0.02 1.25 2.43 -1.09 0.33 114.38 118.00 2kmg h ARG 125 Ca 0.07 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 2kmg h ARG 125 Cb 0.61 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2kmg h ARG 125 CO 0.04 0.22 -0.70 0.78 -1.51 0.00 0.00 179.97 178.80 2kmg h GLY 126 N 0.34 0.10 1.93 2.80 0.00 -1.39 -3.11 103.07 103.74 2kmg h GLY 126 Ca 0.61 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.69 2kmg h GLY 126 CO -0.29 0.13 -0.48 -2.75 0.00 0.00 0.00 176.54 173.15 2kmg h PHE 127 N 0.06 0.09 0.00 5.60 3.57 -0.36 -2.68 116.94 123.22 2kmg h PHE 127 Ca -0.01 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2kmg h PHE 127 Cb 1.24 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2kmg h PHE 127 CO 0.01 0.55 -0.02 0.00 -2.23 0.00 0.00 178.31 176.61 2kmg h ALA 128 N 1.45 1.31 0.00 2.41 0.00 -1.32 -0.70 119.26 122.42 2kmg h ALA 128 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2kmg h ALA 128 Cb 0.88 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kmg h ALA 128 CO 0.07 0.03 -0.40 0.00 0.00 0.00 0.00 179.25 178.95 2kmg h ALA 129 N 1.98 0.87 -0.00 0.00 0.00 -1.58 -2.97 119.26 117.55 2kmg h ALA 129 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kmg h ALA 129 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kmg h ALA 129 CO 0.00 0.50 -0.07 0.41 0.00 0.00 0.00 179.25 180.09 2kmg n GLY 130 N 0.60 -1.33 3.80 0.00 0.00 -0.27 -4.77 105.19 103.23 2kmg n GLY 130 Ca 0.01 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2kmg n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kmg s HIS 131 N -2.80 3.53 0.50 1.61 3.76 -1.12 -4.95 115.29 115.82 2kmg s HIS 131 Ca 0.20 1.62 0.37 0.00 -0.15 0.00 0.00 55.06 57.10 2kmg s HIS 131 Cb 0.19 -2.82 1.95 0.00 1.11 0.00 0.00 32.58 33.01 2kmg s HIS 131 CO 0.52 0.11 2.23 -1.35 -0.85 0.00 0.00 174.74 175.39 2kmg h PRO 132 N 2.69 0.00 -0.52 8.40 0.11 -1.88 -0.65 132.00 140.15 2kmg h PRO 132 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kmg h PRO 132 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kmg h PRO 132 CO 0.64 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 2kmg n GLU 133 N -3.32 3.54 -0.33 1.05 1.02 -1.26 -4.64 120.64 116.69 2kmg n GLU 133 Ca -0.02 -2.77 0.16 0.00 -0.02 0.00 0.00 57.16 54.51 2kmg n GLU 133 Cb 0.15 -1.81 0.33 0.00 -0.02 0.00 0.00 31.44 30.08 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kmg h ALA 134 N 3.28 1.31 -0.62 0.62 0.00 -1.23 0.37 119.26 122.99 2kmg h ALA 134 Ca 0.00 0.31 0.13 0.00 0.00 0.00 0.00 54.91 55.35 2kmg h ALA 134 Cb 1.38 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 19.58 2kmg h ALA 134 CO 0.21 -0.61 0.04 0.00 0.00 0.00 0.00 179.25 178.90 2kmg h ALA 135 N 1.95 0.66 -0.12 0.00 0.00 -1.83 0.83 119.26 120.75 2kmg h ALA 135 Ca 0.62 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 55.50 2kmg h ALA 135 Cb 1.34 0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2kmg h ALA 135 CO -0.86 -0.38 -0.78 0.00 0.00 0.00 0.00 179.25 177.24 2kmg h ALA 136 N 1.55 0.39 0.22 0.00 0.00 -0.68 -3.01 119.26 117.73 2kmg h ALA 136 Ca 0.33 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kmg h ALA 136 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kmg h ALA 136 CO -0.51 0.71 -0.10 0.82 0.00 0.00 0.00 179.25 180.17 2kmg h ILE 137 N 0.46 0.86 -0.44 0.00 2.04 -0.41 -0.85 117.51 119.17 2kmg h ILE 137 Ca -0.05 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 2kmg h ILE 137 Cb 1.39 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 2kmg h ILE 137 CO 0.15 0.11 0.02 0.10 0.00 0.00 0.00 178.15 178.54 2kmg h TYR 138 N -0.55 0.75 0.00 1.37 -0.00 -0.99 -2.01 116.97 115.53 2kmg h TYR 138 Ca -0.03 -0.09 -0.11 0.00 -0.00 0.00 0.00 58.73 58.50 2kmg h TYR 138 Cb 0.41 -0.21 -0.02 0.00 -0.00 0.00 0.00 36.73 36.91 2kmg h TYR 138 CO 0.01 0.69 -0.54 0.07 -0.00 0.00 0.00 178.16 178.39 2kmg h ARG 139 N 0.67 0.00 -0.20 0.10 0.11 -1.54 0.23 114.38 113.76 2kmg h ARG 139 Ca 0.14 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.10 2kmg h ARG 139 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2kmg h ARG 139 CO 0.01 0.54 -0.36 0.00 0.10 0.00 0.00 179.97 180.26 2kmg h ALA 140 N 1.46 1.00 0.00 0.08 0.00 -0.45 -2.96 119.26 118.40 2kmg h ALA 140 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kmg h ALA 140 Cb 1.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kmg h ALA 140 CO 0.07 0.60 -0.95 0.44 0.00 0.00 0.00 179.25 179.42 2kmg n ILE 141 N -4.05 0.15 0.40 0.00 -5.35 -0.90 -4.62 119.36 104.99 2kmg n ILE 141 Ca -0.01 -0.20 0.03 0.00 -0.27 0.00 0.00 62.75 62.30 2kmg n ILE 141 Cb 0.47 0.25 0.19 0.00 -1.74 0.00 0.00 39.64 38.82 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12