#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 0.57 0.00 6.12 2.20 -1.26 -5.06 114.94 117.51 2kmg s ASN 2 Ca 0.00 -1.33 0.00 0.00 -0.94 0.00 0.00 52.86 50.59 2kmg s ASN 2 Cb 0.00 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.87 2kmg s ASN 2 CO 0.00 -1.22 0.14 1.07 -2.94 0.00 0.00 177.10 174.15 2kmg n THR 3 N -0.49 0.00 0.00 0.54 5.66 -1.26 -4.88 114.28 113.85 2kmg n THR 3 Ca 0.00 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2kmg n THR 3 Cb 0.62 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.58 2kmg n THR 3 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kmg n GLU 4 N -0.33 0.00 -1.23 1.09 2.13 -1.26 -5.03 120.64 116.01 2kmg n GLU 4 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2kmg n GLU 4 Cb 0.05 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2kmg n GLU 4 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2kmg n GLU 5 N -1.38 -3.52 -2.30 5.31 4.07 -1.26 -4.89 120.64 116.66 2kmg n GLU 5 Ca 0.00 2.62 -0.40 0.00 -0.06 0.00 0.00 57.16 59.32 2kmg n GLU 5 Cb 0.00 -2.94 -0.03 0.00 -0.06 0.00 0.00 31.44 28.41 2kmg n GLU 5 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 2kmg s GLN 6 N -4.21 4.36 0.00 5.31 -2.07 -1.26 -4.90 119.66 116.90 2kmg s GLN 6 Ca 0.00 1.95 0.13 0.00 -1.82 0.00 0.00 55.36 55.62 2kmg s GLN 6 Cb 0.00 -2.99 0.78 0.00 -1.09 0.00 0.00 33.01 29.71 2kmg s GLN 6 CO 0.00 -0.08 1.22 -2.30 -1.32 0.00 0.00 175.29 172.80 2kmg n PRO 7 N 0.71 0.40 -4.65 9.60 -0.02 -1.26 -4.61 135.00 135.17 2kmg n PRO 7 Ca 0.01 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.27 2kmg n PRO 7 Cb 0.44 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.27 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 -2.02 1.13 -0.08 -1.45 1.01 -1.26 -4.99 120.40 112.74 2kmg s VAL 8 Ca 0.19 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2kmg s VAL 8 Cb 0.09 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2kmg s VAL 8 CO 0.15 0.33 0.20 0.42 0.00 0.00 0.00 175.10 176.20 2kmg s THR 9 N -0.16 -0.01 0.58 3.92 -4.23 -1.26 -4.95 115.64 109.53 2kmg s THR 9 Ca 0.02 0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 2kmg s THR 9 Cb -0.07 -0.29 0.13 0.00 1.34 0.00 0.00 72.50 73.61 2kmg s THR 9 CO 0.00 0.01 0.79 0.00 -0.54 0.00 0.00 174.62 174.88 2kmg n ALA 10 N 3.20 -0.64 -3.46 3.99 0.00 -1.26 -2.27 120.51 120.06 2kmg n ALA 10 Ca -0.15 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 51.96 2kmg n ALA 10 Cb 0.58 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.97 -0.57 -0.28 0.00 0.15 -0.95 -4.87 113.70 103.22 2kmg s SER 11 Ca 0.47 0.62 -0.21 0.00 0.70 0.00 0.00 55.95 57.52 2kmg s SER 11 Cb -0.02 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 2kmg s SER 11 CO 0.32 -0.56 0.68 -0.22 1.20 0.00 0.00 173.24 174.66 2kmg s LEU 12 N -1.15 4.09 0.34 3.45 2.96 -1.26 -0.43 118.68 126.68 2kmg s LEU 12 Ca -0.11 0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 54.33 2kmg s LEU 12 Cb -0.01 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.68 2kmg s LEU 12 CO 0.08 -0.46 0.72 -0.69 -1.32 0.00 0.00 176.35 174.69 2kmg s VAL 13 N 2.64 4.75 1.00 1.68 1.01 -1.18 -4.99 120.40 125.32 2kmg s VAL 13 Ca 0.28 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 2kmg s VAL 13 Cb -0.15 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2kmg s VAL 13 CO 0.10 -0.29 0.57 0.00 0.00 0.00 0.00 175.10 175.48 2kmg n ALA 14 N -0.66 -2.53 0.05 5.51 0.00 -1.26 -4.79 120.51 116.84 2kmg n ALA 14 Ca 0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 2kmg n ALA 14 Cb 0.53 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.86 0.00 -0.01 0.00 4.11 -1.99 -1.71 114.58 113.13 2kmg h GLU 15 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kmg h GLU 15 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kmg h GLU 15 CO 0.38 0.76 -0.04 0.00 0.07 0.00 0.00 179.01 180.18 2kmg n ALA 16 N -2.38 2.68 0.00 1.06 0.00 -1.26 -3.77 120.51 116.84 2kmg n ALA 16 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2kmg n ALA 16 Cb 0.92 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.48 1.43 0.27 0.00 1.13 -1.23 -4.66 117.38 113.83 2kmg n GLN 17 Ca 0.19 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.41 2kmg n GLN 17 Cb 0.26 -0.87 0.65 0.00 0.11 0.00 0.00 30.24 30.38 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 -1.40 -0.43 114.38 111.57 2kmg h ARG 18 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 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 -0.15 1.37 0.10 0.00 0.00 179.97 181.35 2kmg h LEU 19 N 0.00 0.00 -0.50 0.08 -0.00 -1.83 -2.91 115.31 110.15 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 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2kmg h LEU 19 CO 0.01 0.15 -0.18 -0.67 -0.00 0.00 0.00 178.44 177.75 2kmg n ASP 20 N -3.36 0.80 -0.20 0.17 2.03 -0.99 -4.60 116.55 110.40 2kmg n ASP 20 Ca -0.00 -0.90 -0.08 0.00 0.52 0.00 0.00 54.79 54.32 2kmg n ASP 20 Cb 0.36 0.61 0.02 0.00 -0.72 0.00 0.00 41.12 41.39 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 0.54 1.00 0.41 -0.67 3.57 -0.87 -1.51 116.94 119.40 2kmg h PHE 21 Ca 0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2kmg h PHE 21 Cb 0.20 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2kmg h PHE 21 CO 0.00 0.86 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.67 2kmg h LEU 22 N 0.84 -0.47 -0.58 0.59 3.38 -1.81 0.17 115.31 117.43 2kmg h LEU 22 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kmg h LEU 22 Cb 0.39 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kmg h LEU 22 CO 0.01 -0.24 0.00 -0.81 0.09 0.00 0.00 178.44 177.49 2kmg n PRO 23 N -5.28 0.13 -0.02 1.13 -0.04 -1.21 0.35 135.00 130.06 2kmg n PRO 23 Ca -0.11 0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 63.55 2kmg n PRO 23 Cb 0.26 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 31.82 2kmg n PRO 23 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kmg n THR 24 N -2.03 1.73 -0.06 0.52 -1.04 -0.57 -2.07 114.28 110.76 2kmg n THR 24 Ca 0.02 -0.57 -0.07 0.00 -2.04 0.00 0.00 64.05 61.39 2kmg n THR 24 Cb 0.18 -1.75 -0.08 0.00 -1.82 0.00 0.00 70.33 66.87 2kmg n THR 24 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2kmg n TYR 25 N -3.59 0.00 0.01 -1.42 4.01 0.02 -4.68 117.16 111.50 2kmg n TYR 25 Ca -0.34 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.21 2kmg n TYR 25 Cb 1.00 -0.54 -0.14 0.00 -0.31 0.00 0.00 39.34 39.35 2kmg n TYR 25 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2kmg h PHE 26 N 0.00 0.42 0.00 -0.72 3.57 -0.22 -3.51 116.94 116.48 2kmg h PHE 26 Ca -0.30 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 60.89 2kmg h PHE 26 Cb 1.61 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.33 2kmg h PHE 26 CO 0.01 1.65 0.00 0.41 -2.23 0.00 0.00 178.31 178.15 2kmg n GLY 27 N 1.91 4.54 0.34 2.40 0.00 0.14 -4.68 105.19 109.85 2kmg n GLY 27 Ca -0.29 -0.91 0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 0.05 1.61 0.13 -1.65 -0.30 132.00 131.84 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 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2kmg h PRO 28 CO 0.00 0.00 -2.22 -2.13 -0.23 0.00 0.00 178.00 173.42 2kmg n ARG 29 N -3.22 0.69 -0.11 0.86 0.00 -1.26 -4.44 116.66 109.17 2kmg n ARG 29 Ca -0.02 0.23 -0.05 0.00 -0.00 0.00 0.00 57.85 58.01 2kmg n ARG 29 Cb 0.22 -1.61 0.14 0.00 0.00 0.00 0.00 32.46 31.21 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 -0.11 0.78 -0.53 6.15 4.07 -1.66 -3.19 115.31 120.83 2kmg h LEU 30 Ca -0.51 -0.21 0.19 0.00 0.08 0.00 0.00 57.88 57.43 2kmg h LEU 30 Cb 1.90 -0.21 -0.10 0.00 1.08 0.00 0.00 40.66 43.33 2kmg h LEU 30 CO -0.05 0.88 0.18 1.15 -1.08 0.00 0.00 178.44 179.52 2kmg n MET 31 N -4.19 -0.04 -0.11 1.13 0.00 -0.19 0.15 117.12 113.87 2kmg n MET 31 Ca 0.02 0.75 -0.15 0.00 0.00 0.00 0.00 57.70 58.32 2kmg n MET 31 Cb 0.33 -1.29 -0.14 0.00 0.00 0.00 0.00 33.22 32.13 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 -4.36 0.67 0.16 3.17 0.00 -1.23 -3.13 117.12 112.40 2kmg n MET 32 Ca 0.17 0.10 0.13 0.00 0.00 0.00 0.00 57.70 58.10 2kmg n MET 32 Cb 0.57 -1.53 0.56 0.00 0.00 0.00 0.00 33.22 32.83 2kmg n MET 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg h ARG 33 N 0.00 0.00 0.00 3.17 2.47 -0.04 -2.58 114.38 117.41 2kmg h ARG 33 Ca -0.56 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 57.90 2kmg h ARG 33 Cb 2.03 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 30.31 2kmg h ARG 33 CO -0.04 0.00 -1.97 0.41 0.56 0.00 0.00 179.97 178.94 2kmg n GLY 34 N -0.34 -0.25 0.37 0.04 0.00 0.40 -3.94 105.19 101.47 2kmg n GLY 34 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.18 1.22 0.00 1.61 4.11 -1.55 -0.64 114.58 119.15 2kmg h GLU 35 Ca -0.40 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 2kmg h GLU 35 Cb 1.53 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2kmg h GLU 35 CO -0.12 0.81 -0.50 0.00 0.07 0.00 0.00 179.01 179.27 2kmg h ALA 36 N 1.41 0.77 -0.01 1.06 0.00 -1.71 -3.17 119.26 117.60 2kmg h ALA 36 Ca 0.40 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2kmg h ALA 36 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kmg h ALA 36 CO -0.12 0.62 -0.87 1.25 0.00 0.00 0.00 179.25 180.13 2kmg h LEU 37 N 0.00 0.40 -0.34 0.00 5.85 -1.39 -1.84 115.31 117.98 2kmg h LEU 37 Ca -0.00 -0.31 -0.18 0.00 0.84 0.00 0.00 57.88 58.23 2kmg h LEU 37 Cb 1.23 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2kmg h LEU 37 CO 0.06 1.09 -0.51 -0.37 -0.34 0.00 0.00 178.44 178.37 2kmg h VAL 38 N 0.18 1.28 0.00 1.05 -1.51 -1.20 -2.92 116.25 113.13 2kmg h VAL 38 Ca -0.05 -1.70 -0.02 0.00 -1.23 0.00 0.00 66.70 63.70 2kmg h VAL 38 Cb 1.49 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 32.23 2kmg h VAL 38 CO 0.14 0.56 -0.09 0.10 -1.23 0.00 0.00 177.57 177.05 2kmg h TYR 39 N 0.67 0.00 -0.53 5.19 -0.00 -1.60 -2.92 116.97 117.78 2kmg h TYR 39 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.69 2kmg h TYR 39 Cb 1.11 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.82 2kmg h TYR 39 CO 0.07 0.09 0.06 0.00 -0.00 0.00 0.00 178.16 178.38 2kmg h ALA 40 N 1.91 1.12 0.02 0.10 0.00 -1.13 -2.56 119.26 118.71 2kmg h ALA 40 Ca -0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 2kmg h ALA 40 Cb 0.94 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2kmg h ALA 40 CO 0.01 0.57 -1.26 -1.49 0.00 0.00 0.00 179.25 177.09 2kmg h TRP 41 N 0.80 0.06 -0.81 0.00 4.06 -1.52 -3.32 115.95 115.22 2kmg h TRP 41 Ca 0.16 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.09 2kmg h TRP 41 Cb 0.39 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.51 2kmg h TRP 41 CO 0.02 1.05 0.54 1.98 -3.56 0.00 0.00 178.44 178.47 2kmg h MET 42 N 0.01 1.03 0.00 0.49 4.05 -1.30 -0.20 114.93 119.01 2kmg h MET 42 Ca -0.11 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2kmg h MET 42 Cb 1.87 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 2kmg h MET 42 CO 0.12 0.68 0.00 2.89 0.23 0.00 0.00 176.91 180.83 2kmg n ARG 43 N -4.43 0.50 0.03 0.39 1.85 -0.99 -2.88 116.66 111.13 2kmg n ARG 43 Ca 0.10 0.01 0.11 0.00 -1.00 0.00 0.00 57.85 57.07 2kmg n ARG 43 Cb 0.06 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 29.98 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 -1.24 0.30 0.04 2.89 1.74 -0.10 -4.08 116.66 116.22 2kmg n ARG 44 Ca 0.15 -0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.23 2kmg n ARG 44 Cb 0.21 -1.60 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 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 0.00 0.00 -8.87 0.55 3.38 -1.38 -3.42 115.31 105.58 2kmg h LEU 45 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2kmg h LEU 45 Cb 0.74 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.28 2kmg h LEU 45 CO 0.00 0.54 -0.85 0.00 0.09 0.00 0.00 178.44 178.22 2kmg n GLU 47 N 0.88 0.61 -0.15 0.00 0.28 -1.26 -4.01 120.64 116.99 2kmg n GLU 47 Ca -0.18 0.09 0.06 0.00 -0.16 0.00 0.00 57.16 56.97 2kmg n GLU 47 Cb 0.53 -1.79 0.14 0.00 1.43 0.00 0.00 31.44 31.75 2kmg n GLU 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kmg n ARG 48 N -2.65 2.45 -1.87 3.44 1.74 -1.26 -4.91 116.66 113.59 2kmg n ARG 48 Ca -0.01 -1.90 -0.22 0.00 -0.77 0.00 0.00 57.85 54.94 2kmg n ARG 48 Cb 0.57 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.68 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 -0.99 1.60 -0.08 -1.55 6.14 -1.26 -4.73 117.35 116.49 2kmg s TYR 49 Ca 0.22 1.18 -0.12 0.00 0.64 0.00 0.00 57.07 59.00 2kmg s TYR 49 Cb 0.12 -3.77 -0.08 0.00 0.42 0.00 0.00 41.96 38.65 2kmg s TYR 49 CO 0.16 -1.34 0.43 -0.91 0.64 0.00 0.00 175.55 174.52 2kmg h ASN 50 N 11.18 -0.16 -4.79 4.32 -0.26 -1.94 -3.45 115.58 120.47 2kmg h ASN 50 Ca 0.10 -0.18 0.06 0.00 -0.56 0.00 0.00 56.30 55.72 2kmg h ASN 50 Cb 0.98 0.04 -0.14 0.00 -1.06 0.00 0.00 38.32 38.15 2kmg h ASN 50 CO 1.14 0.39 0.38 -0.83 -1.06 0.00 0.00 177.43 177.44 2kmg s GLY 51 N -3.40 -0.52 0.01 2.83 0.00 -1.26 -5.10 107.32 99.88 2kmg s GLY 51 Ca -0.07 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 2kmg s GLY 51 CO 0.24 0.26 0.42 0.00 0.00 0.00 0.00 173.10 174.02 2kmg s ALA 52 N -3.38 -1.06 -0.92 3.20 0.00 -1.26 -5.07 121.76 113.26 2kmg s ALA 52 Ca 0.03 0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.22 2kmg s ALA 52 Cb -0.01 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2kmg s ALA 52 CO -0.10 -0.39 1.47 -0.47 0.00 0.00 0.00 175.76 176.26 2kmg s TYR 53 N -1.97 2.36 0.64 0.00 6.14 -1.26 -4.76 117.35 118.50 2kmg s TYR 53 Ca -0.08 -0.44 -0.17 0.00 0.64 0.00 0.00 57.07 57.02 2kmg s TYR 53 Cb -0.02 -4.60 -0.01 0.00 0.42 0.00 0.00 41.96 37.75 2kmg s TYR 53 CO 0.01 -1.97 1.17 -1.58 0.64 0.00 0.00 175.55 173.82 2kmg s TRP 54 N 5.81 2.41 -0.02 4.97 0.51 -1.26 -0.65 118.94 130.72 2kmg s TRP 54 Ca 0.46 1.55 0.02 0.00 -2.12 0.00 0.00 56.10 56.01 2kmg s TRP 54 Cb -0.03 -3.36 0.00 0.00 -0.81 0.00 0.00 33.47 29.27 2kmg s TRP 54 CO -0.01 -2.06 -0.07 -1.01 -0.51 0.00 0.00 176.95 173.28 2kmg s HIS 55 N -1.93 0.71 0.01 -1.98 3.76 -0.77 -4.88 115.29 110.20 2kmg s HIS 55 Ca 0.73 -0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 55.27 2kmg s HIS 55 Cb -0.26 -0.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 2kmg s HIS 55 CO 0.38 -0.06 0.61 0.71 -0.85 0.00 0.00 174.74 175.53 2kmg s TYR 56 N 0.14 3.70 0.04 1.40 2.02 -1.26 -2.10 117.35 121.29 2kmg s TYR 56 Ca -0.02 1.24 0.08 0.00 -0.37 0.00 0.00 57.07 58.01 2kmg s TYR 56 Cb -0.06 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 2kmg s TYR 56 CO -0.00 0.36 -0.24 0.71 -1.57 0.00 0.00 175.55 174.81 2kmg s TYR 57 N -0.24 2.10 -0.44 2.71 2.02 -0.01 -3.08 117.35 120.42 2kmg s TYR 57 Ca 0.32 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.57 2kmg s TYR 57 Cb -0.19 -1.26 0.12 0.00 -0.40 0.00 0.00 41.96 40.23 2kmg s TYR 57 CO 0.18 0.11 0.26 0.00 -1.57 0.00 0.00 175.55 174.52 2kmg s ALA 58 N -0.79 3.25 0.37 3.71 0.00 0.43 -2.63 121.76 126.10 2kmg s ALA 58 Ca 0.10 -2.57 -0.25 0.00 0.00 0.00 0.00 51.96 49.23 2kmg s ALA 58 Cb -0.09 -2.55 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 2kmg s ALA 58 CO 0.02 -1.85 1.06 -0.51 0.00 0.00 0.00 175.76 174.47 2kmg s LEU 59 N 1.15 4.24 0.09 0.00 1.43 -1.26 -2.23 118.68 122.10 2kmg s LEU 59 Ca 0.08 2.08 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 2kmg s LEU 59 Cb -0.24 -4.05 0.88 0.00 0.03 0.00 0.00 46.19 42.81 2kmg s LEU 59 CO -0.03 -0.40 1.67 -0.24 0.23 0.00 0.00 176.35 177.58 2kmg n SER 60 N 0.24 0.26 0.20 2.29 2.88 -0.96 -2.37 113.62 116.14 2kmg n SER 60 Ca 0.04 0.55 0.11 0.00 -1.33 0.00 0.00 58.87 58.23 2kmg n SER 60 Cb 0.49 -0.61 0.13 0.00 -0.75 0.00 0.00 64.21 63.47 2kmg n SER 60 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2kmg h ASP 61 N 0.00 0.00 -0.16 -3.46 3.04 -1.91 -3.48 116.42 110.44 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 0.40 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2kmg h ASP 61 CO 0.00 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 2kmg n GLY 62 N 1.12 1.22 0.16 7.15 0.00 -1.00 -4.99 105.19 108.85 2kmg n GLY 62 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.62 -0.11 1.68 -0.02 0.00 -1.26 -4.63 105.19 100.23 2kmg n GLY 63 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2kmg n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kmg n PHE 64 N -2.84 -4.03 -4.29 1.61 3.72 -1.26 -4.84 117.46 105.52 2kmg n PHE 64 Ca -0.14 2.31 -0.15 0.00 -0.05 0.00 0.00 57.45 59.41 2kmg n PHE 64 Cb 0.64 -3.36 -0.10 0.00 -0.94 0.00 0.00 39.48 35.73 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kmg s TYR 65 N -0.96 1.41 -0.01 1.38 1.13 -1.08 -4.94 117.35 114.29 2kmg s TYR 65 Ca 0.00 -0.99 0.08 0.00 -1.41 0.00 0.00 57.07 54.74 2kmg s TYR 65 Cb 0.00 -0.81 -0.02 0.00 -1.10 0.00 0.00 41.96 40.03 2kmg s TYR 65 CO 0.00 -0.15 -0.25 -1.64 -2.51 0.00 0.00 175.55 171.00 2kmg s MET 66 N -3.90 1.97 -0.03 -3.49 -1.94 -1.26 -0.83 119.30 109.81 2kmg s MET 66 Ca 0.28 -0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2kmg s MET 66 Cb 0.06 -1.94 0.03 0.00 2.01 0.00 0.00 34.83 34.99 2kmg s MET 66 CO 0.07 0.53 0.04 0.00 -0.01 0.00 0.00 175.02 175.65 2kmg s ALA 67 N -0.61 0.16 1.18 3.03 0.00 -0.89 -4.40 121.76 120.22 2kmg s ALA 67 Ca 0.10 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.18 2kmg s ALA 67 Cb -0.10 -0.43 0.29 0.00 0.00 0.00 0.00 23.12 22.89 2kmg s ALA 67 CO -0.01 -0.29 1.02 -2.14 0.00 0.00 0.00 175.76 174.35 2kmg s PRO 68 N 1.59 -1.05 -0.63 0.00 0.02 -1.25 -1.85 135.00 131.84 2kmg s PRO 68 Ca -0.02 0.85 -0.03 0.00 0.02 0.00 0.00 61.00 61.81 2kmg s PRO 68 Cb -0.13 -1.54 0.16 0.00 0.02 0.00 0.00 34.50 33.02 2kmg s PRO 68 CO -0.03 -3.81 0.45 0.34 -0.33 0.00 0.00 177.00 173.62 2kmg s ASP 69 N -2.47 5.31 -0.20 2.53 -1.08 0.18 -4.57 116.67 116.36 2kmg s ASP 69 Ca 0.69 -2.82 -0.03 0.00 -0.52 0.00 0.00 52.55 49.87 2kmg s ASP 69 Cb -0.25 -1.87 0.06 0.00 -1.46 0.00 0.00 42.92 39.40 2kmg s ASP 69 CO 0.65 -0.38 0.04 -0.76 0.52 0.00 0.00 175.17 175.23 2kmg s LEU 70 N -0.01 1.21 -0.43 -1.34 2.01 -1.26 -4.34 118.68 114.52 2kmg s LEU 70 Ca 0.17 -0.86 -0.20 0.00 0.01 0.00 0.00 54.13 53.24 2kmg s LEU 70 Cb -0.20 -0.60 0.02 0.00 0.01 0.00 0.00 46.19 45.42 2kmg s LEU 70 CO -0.04 -0.31 0.60 0.00 1.01 0.00 0.00 176.35 177.62 2kmg s ALA 71 N 1.85 3.37 0.00 4.21 0.00 -1.26 -3.37 121.76 126.56 2kmg s ALA 71 Ca -0.00 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2kmg s ALA 71 Cb -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2kmg s ALA 71 CO -0.09 -1.70 0.00 0.41 0.00 0.00 0.00 175.76 174.38 2kmg n GLY 72 N 5.01 0.84 3.27 0.00 0.00 -1.26 -5.05 105.19 108.00 2kmg n GLY 72 Ca -0.03 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 2kmg n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kmg s ARG 73 N -1.87 2.89 -0.16 1.61 1.70 -1.26 -4.31 118.95 117.55 2kmg s ARG 73 Ca 0.00 -0.97 -0.02 0.00 -0.47 0.00 0.00 55.73 54.27 2kmg s ARG 73 Cb 0.00 -3.22 -0.01 0.00 -0.57 0.00 0.00 34.95 31.15 2kmg s ARG 73 CO 0.00 -0.47 -0.10 -0.51 -1.08 0.00 0.00 175.30 173.15 2kmg s LEU 74 N 1.40 2.81 -0.46 -1.89 1.02 -1.21 -4.95 118.68 115.40 2kmg s LEU 74 Ca 0.00 -0.33 -0.27 0.00 0.02 0.00 0.00 54.13 53.55 2kmg s LEU 74 Cb -0.17 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 2kmg s LEU 74 CO -0.00 0.10 1.95 -1.61 0.02 0.00 0.00 176.35 176.81 2kmg s GLU 75 N 0.72 2.85 -0.33 1.70 0.41 -1.26 -1.36 118.70 121.42 2kmg s GLU 75 Ca -0.04 1.15 -0.01 0.00 -0.41 0.00 0.00 54.97 55.66 2kmg s GLU 75 Cb -0.15 -4.35 0.08 0.00 -1.78 0.00 0.00 34.13 27.93 2kmg s GLU 75 CO 0.02 -2.44 0.05 0.42 -0.49 0.00 0.00 175.26 172.82 2kmg s ILE 76 N 8.69 2.86 -0.64 -1.63 -1.09 -1.23 -4.70 121.20 123.46 2kmg s ILE 76 Ca 0.79 -1.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.21 2kmg s ILE 76 Cb -0.18 -2.81 0.05 0.00 -1.58 0.00 0.00 42.46 37.93 2kmg s ILE 76 CO 0.27 -0.34 1.05 -1.83 -1.23 0.00 0.00 174.94 172.87 2kmg s GLU 77 N 1.15 3.24 -0.86 2.79 -1.05 0.43 -2.77 118.70 121.63 2kmg s GLU 77 Ca 0.01 -0.41 -0.25 0.00 -0.15 0.00 0.00 54.97 54.17 2kmg s GLU 77 Cb -0.20 -4.14 0.02 0.00 -0.44 0.00 0.00 34.13 29.36 2kmg s GLU 77 CO -0.04 -1.78 1.53 0.08 0.95 0.00 0.00 175.26 176.00 2kmg s VAL 78 N 4.52 3.71 0.25 1.83 1.01 -0.70 -4.29 120.40 126.73 2kmg s VAL 78 Ca 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 2kmg s VAL 78 Cb -0.12 -4.71 0.06 0.00 0.00 0.00 0.00 36.38 31.60 2kmg s VAL 78 CO 0.16 -1.63 1.69 -0.55 0.00 0.00 0.00 175.10 174.76 2kmg h ASN 79 N 10.75 0.62 -1.10 3.32 7.08 -1.86 0.72 115.58 135.11 2kmg h ASN 79 Ca -0.03 -0.21 0.32 0.00 -3.08 0.00 0.00 56.30 53.30 2kmg h ASN 79 Cb 1.04 -0.17 -0.04 0.00 -2.08 0.00 0.00 38.32 37.07 2kmg h ASN 79 CO 1.32 0.83 1.22 1.23 -2.08 0.00 0.00 177.43 179.95 2kmg h GLY 80 N 1.00 0.00 -0.18 9.14 0.00 -1.88 -1.78 103.07 109.37 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 0.05 0.00 -0.04 1.16 0.00 0.00 0.00 176.54 177.71 2kmg n ASN 81 N -3.31 0.00 -0.82 0.19 0.23 -1.14 -4.90 115.26 105.51 2kmg n ASN 81 Ca 0.25 -1.07 -0.11 0.00 -0.53 0.00 0.00 54.58 53.11 2kmg n ASN 81 Cb 1.55 -0.01 -0.05 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 1.16 3.56 4.83 0.00 0.22 -4.92 105.19 110.05 2kmg n GLY 82 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 2.39 -0.63 1.61 5.36 0.47 -4.84 117.98 120.07 2kmg s PHE 83 Ca 0.00 -0.52 -0.28 0.00 -0.96 0.00 0.00 56.93 55.18 2kmg s PHE 83 Cb 0.00 -4.59 0.02 0.00 -0.34 0.00 0.00 43.02 38.11 2kmg s PHE 83 CO 0.00 -1.94 1.30 0.50 -1.46 0.00 0.00 175.22 173.62 2kmg s ARG 84 N 5.38 3.33 -0.28 10.12 3.52 -1.26 -1.72 118.95 138.04 2kmg s ARG 84 Ca 0.48 0.16 -0.16 0.00 -0.13 0.00 0.00 55.73 56.08 2kmg s ARG 84 Cb -0.02 -4.11 0.08 0.00 -1.56 0.00 0.00 34.95 29.34 2kmg s ARG 84 CO -0.05 -1.93 0.69 0.20 -0.81 0.00 0.00 175.30 173.39 2kmg s GLY 85 N 3.76 -0.63 0.16 8.12 0.00 -1.11 -4.99 107.32 112.62 2kmg s GLY 85 Ca 0.44 2.40 -0.31 0.00 0.00 0.00 0.00 44.72 47.25 2kmg s GLY 85 CO 0.22 2.37 1.34 -1.83 0.00 0.00 0.00 173.10 175.20 2kmg s GLU 86 N 1.58 4.36 0.06 2.90 -1.05 -1.26 -3.48 118.70 121.81 2kmg s GLU 86 Ca -0.10 2.05 -0.07 0.00 -0.15 0.00 0.00 54.97 56.71 2kmg s GLU 86 Cb -0.05 -3.22 -0.01 0.00 -0.44 0.00 0.00 34.13 30.41 2kmg s GLU 86 CO -0.19 -0.33 0.13 -1.17 0.95 0.00 0.00 175.26 174.64 2kmg s LEU 87 N 0.47 1.69 0.90 1.83 2.96 -0.46 -4.86 118.68 121.21 2kmg s LEU 87 Ca 0.60 -0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 53.75 2kmg s LEU 87 Cb -0.36 0.77 0.14 0.00 0.50 0.00 0.00 46.19 47.24 2kmg s LEU 87 CO 0.34 -0.62 1.22 -0.94 -1.32 0.00 0.00 176.35 175.04 2kmg s SER 88 N -2.53 3.64 0.00 3.68 1.04 -1.26 -3.33 113.70 114.94 2kmg s SER 88 Ca 0.01 0.62 0.30 0.00 0.48 0.00 0.00 55.95 57.35 2kmg s SER 88 Cb 0.03 -0.95 1.52 0.00 0.10 0.00 0.00 66.02 66.72 2kmg s SER 88 CO -0.08 -2.44 2.04 0.00 0.98 0.00 0.00 173.24 173.75 2kmg n ALA 89 N -3.63 2.47 0.01 5.32 0.00 -1.22 -1.26 120.51 122.20 2kmg n ALA 89 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2kmg n ALA 89 Cb 0.60 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 2kmg n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmg n ASP 90 N -1.26 0.59 -0.00 0.00 -0.08 -1.26 -2.83 116.55 111.70 2kmg n ASP 90 Ca 0.15 0.25 0.06 0.00 -1.51 0.00 0.00 54.79 53.74 2kmg n ASP 90 Cb 0.22 0.64 -0.08 0.00 2.34 0.00 0.00 41.12 44.24 2kmg n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmg n ALA 91 N -2.40 3.44 -0.10 -1.67 0.00 -1.17 -4.49 120.51 114.13 2kmg n ALA 91 Ca -0.11 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 2kmg n ALA 91 Cb 0.80 -0.47 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.43 1.42 0.32 0.00 0.00 -0.39 -4.19 120.51 116.24 2kmg n ALA 92 Ca 0.01 -1.13 0.20 0.00 0.00 0.00 0.00 53.44 52.53 2kmg n ALA 92 Cb 0.23 -0.21 1.09 0.00 0.00 0.00 0.00 19.45 20.56 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 2.68 0.00 1.58 0.00 0.00 -1.72 0.71 103.07 106.32 2kmg h GLY 93 Ca -0.54 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 2kmg h GLY 93 CO -0.03 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 173.96 2kmg h ILE 94 N 0.00 1.29 0.07 2.60 1.08 -1.77 -2.50 117.51 118.28 2kmg h ILE 94 Ca 0.01 -1.42 -0.24 0.00 -0.39 0.00 0.00 64.86 62.82 2kmg h ILE 94 Cb 0.12 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2kmg h ILE 94 CO -0.00 0.44 -1.10 0.58 -0.69 0.00 0.00 178.15 177.38 2kmg h VAL 95 N 0.40 1.54 -0.30 1.67 2.07 -1.09 -2.66 116.25 117.89 2kmg h VAL 95 Ca 0.05 -3.02 -0.03 0.00 0.82 0.00 0.00 66.70 64.52 2kmg h VAL 95 Cb 0.77 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2kmg h VAL 95 CO 0.06 0.88 0.07 0.00 0.02 0.00 0.00 177.57 178.60 2kmg h ALA 96 N 0.75 0.39 -0.16 1.67 0.00 -1.28 -2.37 119.26 118.28 2kmg h ALA 96 Ca -0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2kmg h ALA 96 Cb 1.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2kmg h ALA 96 CO 0.17 0.06 -0.38 0.00 0.00 0.00 0.00 179.25 179.10 2kmg h THR 97 N 0.32 1.35 -0.14 0.00 1.03 -1.55 -3.06 112.91 110.86 2kmg h THR 97 Ca 0.09 -1.65 0.05 0.00 -0.01 0.00 0.00 66.41 64.89 2kmg h THR 97 Cb 0.30 1.99 -0.06 0.00 -1.07 0.00 0.00 68.15 69.31 2kmg h THR 97 CO 0.00 0.50 -0.22 -0.07 -0.01 0.00 0.00 175.52 175.72 2kmg h LEU 98 N 0.17 -0.70 -1.63 0.00 3.38 -1.46 -1.04 115.31 114.03 2kmg h LEU 98 Ca -0.00 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2kmg h LEU 98 Cb 0.99 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2kmg h LEU 98 CO 0.08 -0.27 0.35 -0.26 0.09 0.00 0.00 178.44 178.43 2kmg h PHE 99 N -0.28 0.45 -0.41 1.13 0.04 -1.50 -1.93 116.94 114.45 2kmg h PHE 99 Ca 0.10 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 2kmg h PHE 99 Cb 0.43 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2kmg h PHE 99 CO -0.33 0.24 0.14 0.00 -0.60 0.00 0.00 178.31 177.76 2kmg h ALA 100 N 1.72 0.53 -0.87 2.45 0.00 -1.11 -2.53 119.26 119.45 2kmg h ALA 100 Ca 0.23 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2kmg h ALA 100 Cb 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2kmg h ALA 100 CO -0.06 0.16 0.55 -0.07 0.00 0.00 0.00 179.25 179.83 2kmg h LEU 101 N 0.51 0.88 -1.38 0.00 3.38 -0.63 -1.07 115.31 117.01 2kmg h LEU 101 Ca 0.13 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2kmg h LEU 101 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kmg h LEU 101 CO -0.01 0.58 -0.31 1.23 0.09 0.00 0.00 178.44 180.03 2kmg h GLY 102 N 1.03 0.00 0.34 0.83 0.00 -1.29 -2.24 103.07 101.74 2kmg h GLY 102 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 2kmg h GLY 102 CO -0.16 0.00 -0.27 -1.61 0.00 0.00 0.00 176.54 174.50 2kmg h GLN 103 N 0.00 0.13 -0.55 4.80 4.15 -0.87 -3.02 115.11 119.76 2kmg h GLN 103 Ca -0.00 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.25 2kmg h GLN 103 Cb 0.60 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 2kmg h GLN 103 CO 0.04 1.01 0.34 1.25 -1.93 0.00 0.00 178.83 179.53 2kmg h LEU 104 N -0.65 0.56 -1.49 -2.39 5.85 -1.21 -0.29 115.31 115.68 2kmg h LEU 104 Ca -0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kmg h LEU 104 Cb 1.12 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2kmg h LEU 104 CO 0.05 0.40 0.31 0.00 -0.34 0.00 0.00 178.44 178.86 2kmg h ALA 105 N 1.23 1.63 0.00 1.25 0.00 -1.52 -1.65 119.26 120.20 2kmg h ALA 105 Ca 0.21 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2kmg h ALA 105 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2kmg h ALA 105 CO -0.08 0.34 -0.67 0.00 0.00 0.00 0.00 179.25 178.84 2kmg h ALA 106 N 1.68 0.74 0.00 0.00 0.00 -1.19 -2.24 119.26 118.24 2kmg h ALA 106 Ca 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kmg h ALA 106 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2kmg h ALA 106 CO -0.04 0.84 0.00 1.49 0.00 0.00 0.00 179.25 181.54 2kmg h GLU 107 N 0.00 0.00 0.00 0.00 4.57 -0.09 -2.76 114.58 116.30 2kmg h GLU 107 Ca -0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2kmg h GLU 107 Cb 1.31 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.73 2kmg h GLU 107 CO 0.09 0.00 -0.71 0.44 -1.18 0.00 0.00 179.01 177.65 2kmg n ILE 108 N -3.05 1.16 0.15 2.32 -5.35 -1.15 -4.80 119.36 108.64 2kmg n ILE 108 Ca -0.01 -2.12 0.02 0.00 -0.27 0.00 0.00 62.75 60.37 2kmg n ILE 108 Cb 0.22 0.32 0.09 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.40 1.27 0.31 -1.28 0.00 -0.85 -1.01 120.51 118.55 2kmg n ALA 109 Ca 0.13 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2kmg n ALA 109 Cb 0.89 -1.06 0.23 0.00 0.00 0.00 0.00 19.45 19.50 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 110 N -1.39 2.89 -3.21 0.00 9.92 -1.26 -4.92 116.55 118.57 2kmg n ASP 110 Ca 0.01 -2.08 -0.19 0.00 -0.53 0.00 0.00 54.79 52.00 2kmg n ASP 110 Cb 0.04 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.08 2kmg n ASP 110 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2kmg n THR 111 N 0.90 0.00 1.19 -3.53 -2.24 -0.18 -5.04 114.28 105.39 2kmg n THR 111 Ca 0.17 -1.93 0.13 0.00 -2.27 0.00 0.00 64.05 60.15 2kmg n THR 111 Cb 0.48 0.78 0.39 0.00 -2.10 0.00 0.00 70.33 69.88 2kmg n THR 111 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kmg n ASP 112 N -1.73 0.77 -0.50 3.42 2.03 -1.26 -3.62 116.55 115.65 2kmg n ASP 112 Ca -0.01 -0.63 0.10 0.00 0.52 0.00 0.00 54.79 54.77 2kmg n ASP 112 Cb 0.49 0.11 0.36 0.00 -0.72 0.00 0.00 41.12 41.36 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg n ALA 113 N -0.95 2.52 1.04 -1.67 0.00 -1.26 -3.66 120.51 116.52 2kmg n ALA 113 Ca 0.11 -0.49 0.13 0.00 0.00 0.00 0.00 53.44 53.18 2kmg n ALA 113 Cb 0.33 -1.09 0.34 0.00 0.00 0.00 0.00 19.45 19.03 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 0.23 3.27 0.33 0.00 0.00 -1.24 -3.75 120.51 119.34 2kmg n ALA 114 Ca 0.15 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.32 2kmg n ALA 114 Cb 0.29 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 2kmg n ALA 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kmg n ASP 115 N -1.40 0.42 -0.07 0.00 5.68 -1.24 -4.43 116.55 115.51 2kmg n ASP 115 Ca 0.07 -0.71 -0.12 0.00 -0.50 0.00 0.00 54.79 53.53 2kmg n ASP 115 Cb 0.33 0.93 -0.10 0.00 -1.14 0.00 0.00 41.12 41.14 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kmg h ALA 116 N 1.03 0.01 0.00 2.12 0.00 -1.70 -3.29 119.26 117.43 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 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kmg h ALA 116 CO 0.00 0.04 0.00 1.37 0.00 0.00 0.00 179.25 180.66 2kmg h LEU 117 N -1.00 0.00 -1.28 0.00 -0.00 -1.83 -2.00 115.31 109.19 2kmg h LEU 117 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.79 2kmg h LEU 117 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2kmg h LEU 117 CO -0.01 0.00 -0.29 0.40 -0.00 0.00 0.00 178.44 178.53 2kmg h ILE 118 N 0.00 1.24 -0.95 0.15 1.08 -1.77 -2.68 117.51 114.57 2kmg h ILE 118 Ca 0.00 -1.11 0.17 0.00 -0.39 0.00 0.00 64.86 63.53 2kmg h ILE 118 Cb 0.25 1.52 -0.08 0.00 -3.07 0.00 0.00 36.82 35.45 2kmg h ILE 118 CO 0.00 0.33 0.60 -0.78 -0.69 0.00 0.00 178.15 177.61 2kmg h ASP 119 N 0.09 0.67 -0.47 1.72 3.58 -1.48 0.14 116.42 120.67 2kmg h ASP 119 Ca 0.01 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 2kmg h ASP 119 Cb 0.57 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2kmg h ASP 119 CO 0.04 0.29 0.09 0.03 -2.88 0.00 0.00 179.24 176.81 2kmg h ARG 120 N 0.68 0.83 -0.26 0.28 -0.00 -1.66 -2.67 114.38 111.58 2kmg h ARG 120 Ca 0.50 -0.19 -0.19 0.00 -0.50 0.00 0.00 59.98 59.61 2kmg h ARG 120 Cb 0.87 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.73 2kmg h ARG 120 CO -0.26 0.78 -0.57 -0.92 0.00 0.00 0.00 179.97 178.99 2kmg h TYR 121 N 0.79 1.02 0.00 3.04 5.03 -0.88 -0.42 116.97 125.55 2kmg h TYR 121 Ca 0.17 -0.37 -0.01 0.00 2.58 0.00 0.00 58.73 61.10 2kmg h TYR 121 Cb 0.35 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 2kmg h TYR 121 CO 0.02 1.18 -0.05 1.25 -1.32 0.00 0.00 178.16 179.24 2kmg h HIS 122 N 0.61 0.00 0.00 -3.82 2.76 -0.92 -1.59 115.15 112.19 2kmg h HIS 122 Ca 0.01 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 2kmg h HIS 122 Cb 1.17 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 2kmg h HIS 122 CO 0.07 0.05 -1.57 1.19 -1.30 0.00 0.00 177.93 176.37 2kmg n PHE 123 N -3.61 0.75 -0.02 5.26 3.72 -1.03 -3.99 117.46 118.54 2kmg n PHE 123 Ca -0.02 0.32 -0.11 0.00 -0.05 0.00 0.00 57.45 57.60 2kmg n PHE 123 Cb 0.15 -1.06 -0.04 0.00 -0.94 0.00 0.00 39.48 37.59 2kmg n PHE 123 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2kmg h LEU 124 N -1.00 -1.10 -0.95 4.37 6.46 -0.97 -0.08 115.31 122.04 2kmg h LEU 124 Ca -0.43 0.16 0.25 0.00 -0.12 0.00 0.00 57.88 57.74 2kmg h LEU 124 Cb 1.36 0.47 -0.13 0.00 -0.73 0.00 0.00 40.66 41.63 2kmg h LEU 124 CO -0.26 -0.37 0.47 -0.09 -0.62 0.00 0.00 178.44 177.57 2kmg h ARG 125 N -0.40 0.40 -0.08 1.25 2.43 -1.51 0.46 114.38 116.94 2kmg h ARG 125 Ca 0.10 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2kmg h ARG 125 Cb 0.57 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2kmg h ARG 125 CO -0.40 0.27 -0.28 0.78 -1.51 0.00 0.00 179.97 178.83 2kmg h GLY 126 N 0.42 0.15 1.76 2.80 0.00 -1.17 -2.77 103.07 104.25 2kmg h GLY 126 Ca 0.62 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.69 2kmg h GLY 126 CO -0.54 0.10 -0.64 -2.75 0.00 0.00 0.00 176.54 172.70 2kmg h PHE 127 N 0.12 0.32 0.00 5.60 3.57 0.72 -3.00 116.94 124.26 2kmg h PHE 127 Ca 0.02 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2kmg h PHE 127 Cb 0.57 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2kmg h PHE 127 CO 0.01 0.82 -0.06 0.00 -2.23 0.00 0.00 178.31 176.85 2kmg h ALA 128 N 1.15 1.31 0.00 2.41 0.00 -1.01 -1.57 119.26 121.55 2kmg h ALA 128 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kmg h ALA 128 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kmg h ALA 128 CO 0.10 0.07 -0.28 0.00 0.00 0.00 0.00 179.25 179.14 2kmg h ALA 129 N 1.94 1.02 -0.00 0.00 0.00 -1.54 -2.75 119.26 117.92 2kmg h ALA 129 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kmg h ALA 129 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kmg h ALA 129 CO 0.01 0.35 -0.18 0.41 0.00 0.00 0.00 179.25 179.84 2kmg n GLY 130 N 0.18 -1.34 3.79 0.00 0.00 -0.59 -4.72 105.19 102.50 2kmg n GLY 130 Ca -0.00 -0.21 -0.35 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 -2.91 3.10 -0.29 1.61 3.76 -1.04 -4.76 115.29 114.76 2kmg s HIS 131 Ca 0.16 1.60 0.22 0.00 -0.15 0.00 0.00 55.06 56.89 2kmg s HIS 131 Cb 0.19 -3.13 1.10 0.00 1.11 0.00 0.00 32.58 31.85 2kmg s HIS 131 CO 0.58 -0.81 1.66 -2.30 -0.85 0.00 0.00 174.74 173.02 2kmg n PRO 132 N -0.51 0.15 -0.24 8.40 -0.02 -1.26 -1.00 135.00 140.52 2kmg n PRO 132 Ca 0.07 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2kmg n PRO 132 Cb 0.51 -1.93 0.19 0.00 -0.02 0.00 0.00 33.50 32.25 2kmg n PRO 132 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kmg n GLU 133 N -2.24 1.97 -0.32 -0.52 4.71 -1.26 -4.77 120.64 118.22 2kmg n GLU 133 Ca -0.00 -2.70 0.11 0.00 -0.01 0.00 0.00 57.16 54.55 2kmg n GLU 133 Cb 0.09 -1.65 0.23 0.00 -1.01 0.00 0.00 31.44 29.10 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 0.77 1.00 -0.53 0.62 0.00 -1.20 0.31 119.26 120.23 2kmg h ALA 134 Ca 0.00 0.31 0.10 0.00 0.00 0.00 0.00 54.91 55.32 2kmg h ALA 134 Cb 1.19 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 2kmg h ALA 134 CO 0.10 -0.50 0.05 0.00 0.00 0.00 0.00 179.25 178.90 2kmg h ALA 135 N 1.89 0.56 -0.33 0.00 0.00 -1.86 0.51 119.26 120.04 2kmg h ALA 135 Ca 0.53 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.44 2kmg h ALA 135 Cb 1.02 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kmg h ALA 135 CO -0.84 -0.35 -0.34 0.00 0.00 0.00 0.00 179.25 177.72 2kmg h ALA 136 N 1.45 0.80 0.18 0.00 0.00 -0.85 -2.83 119.26 118.01 2kmg h ALA 136 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2kmg h ALA 136 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kmg h ALA 136 CO -0.40 0.65 -0.09 0.82 0.00 0.00 0.00 179.25 180.23 2kmg h ILE 137 N 0.61 0.92 -0.53 0.00 2.04 -0.15 -0.36 117.51 120.03 2kmg h ILE 137 Ca 0.06 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 2kmg h ILE 137 Cb 0.86 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2kmg h ILE 137 CO 0.08 0.13 0.13 0.10 0.00 0.00 0.00 178.15 178.59 2kmg h TYR 138 N -0.54 0.84 0.00 1.37 -0.00 -1.01 -1.85 116.97 115.78 2kmg h TYR 138 Ca -0.03 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.73 58.50 2kmg h TYR 138 Cb 0.41 -0.25 -0.02 0.00 -0.00 0.00 0.00 36.73 36.87 2kmg h TYR 138 CO 0.02 0.71 -0.61 0.07 -0.00 0.00 0.00 178.16 178.34 2kmg h ARG 139 N 0.79 0.00 -0.37 0.10 0.11 -1.52 0.04 114.38 113.53 2kmg h ARG 139 Ca 0.17 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.16 2kmg h ARG 139 Cb 0.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 2kmg h ARG 139 CO -0.00 0.61 -0.15 0.00 0.10 0.00 0.00 179.97 180.53 2kmg h ALA 140 N 1.39 1.05 0.00 0.08 0.00 -0.28 -2.79 119.26 118.71 2kmg h ALA 140 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kmg h ALA 140 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kmg h ALA 140 CO 0.08 0.58 -0.83 0.44 0.00 0.00 0.00 179.25 179.51 2kmg n ILE 141 N -4.16 0.17 0.65 0.00 -5.35 -0.81 -4.46 119.36 105.41 2kmg n ILE 141 Ca 0.01 -0.19 0.05 0.00 -0.27 0.00 0.00 62.75 62.35 2kmg n ILE 141 Cb 0.37 0.18 0.31 0.00 -1.74 0.00 0.00 39.64 38.76 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12