#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 5.91 0.00 7.83 0.01 -1.26 -4.98 114.94 122.46 2kmg s ASN 2 Ca 0.00 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.44 2kmg s ASN 2 Cb 0.00 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.78 2kmg s ASN 2 CO 0.00 0.34 0.42 1.07 -1.51 0.00 0.00 177.10 177.42 2kmg n THR 3 N 2.42 0.00 -1.31 1.60 5.66 -1.26 -5.05 114.28 116.34 2kmg n THR 3 Ca -0.19 -0.49 -0.31 0.00 -3.05 0.00 0.00 64.05 60.02 2kmg n THR 3 Cb 0.54 1.02 0.09 0.00 -1.55 0.00 0.00 70.33 70.43 2kmg n THR 3 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2kmg s GLU 4 N -0.13 2.22 0.21 1.09 4.04 -1.26 -5.07 118.70 119.79 2kmg s GLU 4 Ca 0.00 1.07 -0.11 0.00 0.04 0.00 0.00 54.97 55.96 2kmg s GLU 4 Cb 0.00 -1.90 -0.01 0.00 0.02 0.00 0.00 34.13 32.25 2kmg s GLU 4 CO 0.00 -1.64 0.39 -1.21 -1.84 0.00 0.00 175.26 170.96 2kmg s GLU 5 N -4.94 1.37 -0.30 -4.83 2.02 -1.26 -5.08 118.70 105.68 2kmg s GLU 5 Ca 0.61 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2kmg s GLU 5 Cb -0.17 0.43 0.13 0.00 0.10 0.00 0.00 34.13 34.63 2kmg s GLU 5 CO 0.56 -0.54 0.28 1.14 0.02 0.00 0.00 175.26 176.72 2kmg s GLN 6 N -4.00 0.34 0.00 1.61 1.03 -1.26 -5.00 119.66 112.38 2kmg s GLN 6 Ca 0.21 -0.27 0.04 0.00 0.04 0.00 0.00 55.36 55.37 2kmg s GLN 6 Cb 0.01 -0.73 0.21 0.00 0.03 0.00 0.00 33.01 32.54 2kmg s GLN 6 CO 0.05 -1.05 0.56 -2.30 -2.54 0.00 0.00 175.29 170.01 2kmg n PRO 7 N 5.19 0.21 -3.16 9.60 -0.02 -1.26 -4.66 135.00 140.90 2kmg n PRO 7 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.07 2kmg n PRO 7 Cb 0.46 -1.27 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2kmg n PRO 7 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kmg s VAL 8 N -2.00 5.08 -0.09 -1.45 0.11 -1.26 -5.00 120.40 115.78 2kmg s VAL 8 Ca 0.05 1.18 -0.08 0.00 -2.93 0.00 0.00 61.98 60.20 2kmg s VAL 8 Cb 0.02 -3.93 0.03 0.00 -1.53 0.00 0.00 36.38 30.97 2kmg s VAL 8 CO 0.04 0.21 0.25 0.42 -3.33 0.00 0.00 175.10 172.69 2kmg s THR 9 N 1.27 -0.00 0.18 5.04 -4.23 -1.26 -4.75 115.64 111.89 2kmg s THR 9 Ca 0.30 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2kmg s THR 9 Cb -0.16 -0.36 0.04 0.00 1.34 0.00 0.00 72.50 73.36 2kmg s THR 9 CO 0.12 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.45 2kmg n ALA 10 N 3.02 -0.08 -3.56 3.99 0.00 -1.26 -2.88 120.51 119.74 2kmg n ALA 10 Ca -0.13 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 2kmg n ALA 10 Cb 0.58 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.95 -0.69 -0.30 0.00 0.15 -0.43 -4.85 113.70 105.62 2kmg s SER 11 Ca 0.15 1.01 -0.28 0.00 0.70 0.00 0.00 55.95 57.53 2kmg s SER 11 Cb -0.01 0.91 0.01 0.00 -1.71 0.00 0.00 66.02 65.22 2kmg s SER 11 CO 0.10 -0.47 1.02 -0.22 1.20 0.00 0.00 173.24 174.87 2kmg s LEU 12 N -0.57 3.99 0.52 3.45 2.96 -1.26 -0.56 118.68 127.20 2kmg s LEU 12 Ca -0.07 1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 54.72 2kmg s LEU 12 Cb -0.02 -3.46 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 2kmg s LEU 12 CO 0.06 -0.80 0.99 -0.69 -1.32 0.00 0.00 176.35 174.60 2kmg s VAL 13 N 3.45 4.51 1.11 1.68 1.01 -1.11 -4.99 120.40 126.06 2kmg s VAL 13 Ca 0.43 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 2kmg s VAL 13 Cb -0.13 -3.71 0.20 0.00 0.00 0.00 0.00 36.38 32.73 2kmg s VAL 13 CO 0.13 -0.69 0.68 0.00 0.00 0.00 0.00 175.10 175.21 2kmg n ALA 14 N -1.62 -3.01 0.12 5.51 0.00 -1.26 -4.68 120.51 115.57 2kmg n ALA 14 Ca 0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 53.44 52.41 2kmg n ALA 14 Cb 0.54 -1.86 0.08 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.31 0.00 -0.02 0.00 4.11 -1.99 -0.79 114.58 113.57 2kmg h GLU 15 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2kmg h GLU 15 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2kmg h GLU 15 CO 0.44 0.68 -0.15 0.00 0.07 0.00 0.00 179.01 180.04 2kmg n ALA 16 N -2.34 2.84 0.01 1.06 0.00 -1.26 -4.21 120.51 116.62 2kmg n ALA 16 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 53.44 52.88 2kmg n ALA 16 Cb 0.73 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 0.45 0.69 0.22 0.00 1.13 -1.20 -4.56 117.38 114.11 2kmg n GLN 17 Ca 0.14 -0.02 0.08 0.00 -1.94 0.00 0.00 57.00 55.25 2kmg n GLN 17 Cb 0.47 -1.02 0.50 0.00 0.11 0.00 0.00 30.24 30.30 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 -1.31 0.39 114.38 112.49 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 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2kmg h ARG 18 CO 0.00 0.26 -0.68 1.37 0.10 0.00 0.00 179.97 181.02 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 -0.00 -1.82 -3.27 115.31 110.30 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 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2kmg h LEU 19 CO 0.03 0.17 -1.26 -0.67 -0.00 0.00 0.00 178.44 176.71 2kmg n ASP 20 N -2.92 0.58 0.12 0.17 2.03 -0.96 -4.05 116.55 111.50 2kmg n ASP 20 Ca 0.00 -0.40 -0.03 0.00 0.52 0.00 0.00 54.79 54.88 2kmg n ASP 20 Cb 0.62 1.16 0.13 0.00 -0.72 0.00 0.00 41.12 42.31 2kmg n ASP 20 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kmg h PHE 21 N 0.00 0.10 0.45 -0.67 3.04 -0.28 -1.87 116.94 117.71 2kmg h PHE 21 Ca 0.00 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2kmg h PHE 21 Cb 0.73 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 2kmg h PHE 21 CO 0.00 0.71 -0.38 -0.07 -2.02 0.00 0.00 178.31 176.54 2kmg h LEU 22 N 0.06 -1.03 -1.03 0.59 -0.00 -1.70 -1.15 115.31 111.05 2kmg h LEU 22 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2kmg h LEU 22 Cb 1.16 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 42.15 2kmg h LEU 22 CO 0.09 -0.55 0.00 1.55 -0.00 0.00 0.00 178.44 179.53 2kmg h PRO 23 N -0.83 0.00 -0.45 1.13 0.13 -1.64 0.37 132.00 130.71 2kmg h PRO 23 Ca -0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 2kmg h PRO 23 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2kmg h PRO 23 CO -0.03 0.00 -0.19 1.15 -0.23 0.00 0.00 178.00 178.70 2kmg h THR 24 N 0.00 1.27 0.00 1.56 2.02 -0.36 -3.34 112.91 114.06 2kmg h THR 24 Ca 0.00 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.85 2kmg h THR 24 Cb 0.31 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2kmg h THR 24 CO 0.00 0.45 0.00 0.00 0.37 0.00 0.00 175.52 176.34 2kmg n TYR 25 N -4.12 -0.08 -0.41 3.16 9.36 -0.85 -4.80 117.16 119.42 2kmg n TYR 25 Ca 0.00 0.01 0.36 0.00 3.32 0.00 0.00 57.90 61.60 2kmg n TYR 25 Cb 0.43 0.18 0.63 0.00 -0.63 0.00 0.00 39.34 39.95 2kmg n TYR 25 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2kmg h PHE 26 N 0.00 0.63 0.00 2.98 -1.00 -0.80 -3.46 116.94 115.29 2kmg h PHE 26 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2kmg h PHE 26 Cb 0.00 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.41 2kmg h PHE 26 CO 0.00 -0.30 0.00 0.41 -1.61 0.00 0.00 178.31 176.81 2kmg n GLY 27 N -1.44 2.95 0.04 -1.45 0.00 0.96 -4.22 105.19 102.03 2kmg n GLY 27 Ca 0.38 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.72 2kmg n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kmg n PRO 28 N 0.16 0.04 -0.11 1.61 -0.04 -1.26 -1.91 135.00 133.49 2kmg n PRO 28 Ca 0.00 0.45 -0.15 0.00 -0.04 0.00 0.00 63.50 63.76 2kmg n PRO 28 Cb 0.00 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.73 2kmg n PRO 28 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kmg n ARG 29 N -1.69 0.66 0.09 0.54 -4.01 -1.26 -4.53 116.66 106.45 2kmg n ARG 29 Ca 0.01 0.11 -0.05 0.00 -1.04 0.00 0.00 57.85 56.89 2kmg n ARG 29 Cb 0.07 -1.47 0.13 0.00 -3.04 0.00 0.00 32.46 28.16 2kmg n ARG 29 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2kmg h LEU 30 N 0.00 0.26 -1.11 2.89 5.85 -1.65 -2.96 115.31 118.60 2kmg h LEU 30 Ca -0.52 -0.14 0.37 0.00 0.84 0.00 0.00 57.88 58.42 2kmg h LEU 30 Cb 1.87 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.73 2kmg h LEU 30 CO -0.06 0.78 0.73 1.15 -0.34 0.00 0.00 178.44 180.70 2kmg n MET 31 N -3.89 -0.02 -0.07 1.25 0.00 -0.80 0.24 117.12 113.83 2kmg n MET 31 Ca -0.02 0.91 -0.08 0.00 0.00 0.00 0.00 57.70 58.50 2kmg n MET 31 Cb 0.60 -1.84 -0.08 0.00 0.00 0.00 0.00 33.22 31.91 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 -4.03 1.11 0.00 3.17 0.00 -1.22 -3.47 117.12 112.67 2kmg n MET 32 Ca 0.31 0.05 0.11 0.00 0.00 0.00 0.00 57.70 58.16 2kmg n MET 32 Cb 1.23 -1.30 0.61 0.00 0.00 0.00 0.00 33.22 33.76 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 0.46 -0.00 3.17 1.74 0.68 -2.70 116.66 117.29 2kmg n ARG 33 Ca -0.23 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 56.89 2kmg n ARG 33 Cb 0.82 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.76 2kmg n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kmg n GLY 34 N 0.56 -0.01 0.27 -0.13 0.00 0.66 -4.50 105.19 102.04 2kmg n GLY 34 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2kmg n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kmg h GLU 35 N -0.01 0.20 0.00 1.61 4.81 -1.59 -0.86 114.58 118.74 2kmg h GLU 35 Ca -0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2kmg h GLU 35 Cb 1.02 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 2kmg h GLU 35 CO -0.01 0.16 -0.12 0.00 -0.73 0.00 0.00 179.01 178.31 2kmg h ALA 36 N 1.88 0.94 0.16 2.92 0.00 -1.78 -3.15 119.26 120.22 2kmg h ALA 36 Ca 0.05 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 2kmg h ALA 36 Cb 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kmg h ALA 36 CO -0.01 0.15 -1.45 1.25 0.00 0.00 0.00 179.25 179.19 2kmg h LEU 37 N 0.00 0.52 -0.50 0.00 7.12 -1.40 -2.47 115.31 118.57 2kmg h LEU 37 Ca -0.00 -0.63 -0.16 0.00 0.13 0.00 0.00 57.88 57.23 2kmg h LEU 37 Cb 0.98 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.94 2kmg h LEU 37 CO 0.02 1.50 -0.46 -0.37 -0.13 0.00 0.00 178.44 179.00 2kmg h VAL 38 N 0.09 1.29 0.00 1.05 -1.51 -1.48 -2.93 116.25 112.76 2kmg h VAL 38 Ca -0.22 -1.66 -0.11 0.00 -1.23 0.00 0.00 66.70 63.49 2kmg h VAL 38 Cb 2.04 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 32.77 2kmg h VAL 38 CO 0.20 0.53 -0.50 0.10 -1.23 0.00 0.00 177.57 176.67 2kmg h TYR 39 N 0.56 0.00 -0.50 5.19 -0.00 -1.67 -3.14 116.97 117.42 2kmg h TYR 39 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.74 2kmg h TYR 39 Cb 1.02 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.72 2kmg h TYR 39 CO 0.05 0.50 0.23 0.00 -0.00 0.00 0.00 178.16 178.94 2kmg h ALA 40 N 1.50 1.48 0.04 0.10 0.00 -1.25 -1.49 119.26 119.63 2kmg h ALA 40 Ca -0.01 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 40 Cb 1.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2kmg h ALA 40 CO 0.07 0.41 -1.16 -1.49 0.00 0.00 0.00 179.25 177.08 2kmg h TRP 41 N 0.69 0.16 -0.18 0.00 4.06 -1.57 -3.16 115.95 115.96 2kmg h TRP 41 Ca 0.17 -0.12 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 2kmg h TRP 41 Cb 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 2kmg h TRP 41 CO 0.01 1.10 -0.28 1.98 -3.56 0.00 0.00 178.44 177.68 2kmg h MET 42 N 0.02 0.34 0.00 0.49 4.05 -1.37 -2.59 114.93 115.87 2kmg h MET 42 Ca -0.08 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.18 2kmg h MET 42 Cb 1.86 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.63 2kmg h MET 42 CO 0.15 0.60 -0.24 0.07 0.23 0.00 0.00 176.91 177.72 2kmg h ARG 43 N 0.30 0.00 0.16 0.39 -0.00 -1.37 -3.34 114.38 110.52 2kmg h ARG 43 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.01 2kmg h ARG 43 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.63 2kmg h ARG 43 CO 0.05 0.14 -0.08 0.00 -0.00 0.00 0.00 179.97 180.08 2kmg h ARG 44 N 0.00 -0.21 0.00 0.08 3.08 -1.45 -3.25 114.38 112.63 2kmg h ARG 44 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kmg h ARG 44 Cb 1.12 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2kmg h ARG 44 CO 0.02 0.11 0.64 -0.07 -1.07 0.00 0.00 179.97 179.60 2kmg h LEU 45 N -0.98 0.00 -8.78 3.04 3.38 -1.60 -3.38 115.31 106.99 2kmg h LEU 45 Ca -0.02 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.25 2kmg h LEU 45 Cb 0.42 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.91 2kmg h LEU 45 CO 0.04 0.00 -0.84 0.00 0.09 0.00 0.00 178.44 177.72 2kmg h GLU 47 N 5.11 0.00 -1.97 0.00 4.11 -1.81 -3.35 114.58 116.67 2kmg h GLU 47 Ca -0.45 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.31 2kmg h GLU 47 Cb 1.14 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.02 2kmg h GLU 47 CO 0.47 0.71 -0.04 2.89 0.07 0.00 0.00 179.01 183.11 2kmg n ARG 48 N -3.19 3.61 -3.89 1.06 1.85 -1.26 -4.95 116.66 109.88 2kmg n ARG 48 Ca -0.06 -4.46 -0.33 0.00 -1.00 0.00 0.00 57.85 52.00 2kmg n ARG 48 Cb 0.95 -2.29 -0.13 0.00 -1.05 0.00 0.00 32.46 29.94 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 -3.77 3.58 -0.06 2.89 6.14 -1.26 -4.93 117.35 119.94 2kmg s TYR 49 Ca 0.47 -2.81 -0.11 0.00 0.64 0.00 0.00 57.07 55.27 2kmg s TYR 49 Cb 0.33 -3.04 -0.30 0.00 0.42 0.00 0.00 41.96 39.37 2kmg s TYR 49 CO -0.21 -0.91 0.62 -0.91 0.64 0.00 0.00 175.55 174.78 2kmg h ASN 50 N 7.51 0.59 0.00 4.32 -0.26 -1.92 -3.46 115.58 122.36 2kmg h ASN 50 Ca -0.07 -0.94 0.00 0.00 -0.56 0.00 0.00 56.30 54.73 2kmg h ASN 50 Cb 1.00 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 2kmg h ASN 50 CO 0.63 1.79 0.00 0.61 -1.06 0.00 0.00 177.43 179.40 2kmg n GLY 51 N 1.88 0.62 3.30 2.83 0.00 -1.26 -5.10 105.19 107.46 2kmg n GLY 51 Ca -0.26 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 -0.96 -0.95 4.61 0.00 -1.26 -5.06 121.76 116.15 2kmg s ALA 52 Ca 0.00 0.38 -0.24 0.00 0.00 0.00 0.00 51.96 52.10 2kmg s ALA 52 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.34 2kmg s ALA 52 CO 0.00 -0.37 1.62 -0.47 0.00 0.00 0.00 175.76 176.54 2kmg s TYR 53 N -1.93 2.24 0.34 0.00 6.14 -1.26 -4.76 117.35 118.12 2kmg s TYR 53 Ca -0.09 -0.24 -0.29 0.00 0.64 0.00 0.00 57.07 57.09 2kmg s TYR 53 Cb -0.02 -4.46 -0.11 0.00 0.42 0.00 0.00 41.96 37.79 2kmg s TYR 53 CO 0.01 -1.90 1.41 -1.58 0.64 0.00 0.00 175.55 174.13 2kmg s TRP 54 N 6.86 2.84 -0.18 4.97 0.51 -1.26 -1.30 118.94 131.39 2kmg s TRP 54 Ca 0.54 1.24 0.01 0.00 -2.12 0.00 0.00 56.10 55.77 2kmg s TRP 54 Cb -0.03 -3.85 0.01 0.00 -0.81 0.00 0.00 33.47 28.79 2kmg s TRP 54 CO -0.04 -2.49 -0.18 -1.01 -0.51 0.00 0.00 176.95 172.71 2kmg s HIS 55 N -0.95 2.78 -0.01 -1.98 3.76 0.47 -4.94 115.29 114.43 2kmg s HIS 55 Ca 0.52 -1.50 -0.30 0.00 -0.15 0.00 0.00 55.06 53.63 2kmg s HIS 55 Cb -0.43 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 2kmg s HIS 55 CO 0.56 -0.74 1.21 -0.47 -0.85 0.00 0.00 174.74 174.44 2kmg s TYR 56 N 1.22 3.28 -0.02 1.40 5.04 -1.26 -2.49 117.35 124.52 2kmg s TYR 56 Ca 0.03 1.24 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 2kmg s TYR 56 Cb -0.14 -3.43 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 2kmg s TYR 56 CO -0.10 -1.33 -0.24 0.71 -1.34 0.00 0.00 175.55 173.25 2kmg s TYR 57 N 1.75 2.14 -0.28 4.97 2.02 -0.67 -2.75 117.35 124.52 2kmg s TYR 57 Ca 0.57 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 2kmg s TYR 57 Cb -0.27 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2kmg s TYR 57 CO 0.25 -0.03 0.02 0.00 -1.57 0.00 0.00 175.55 174.22 2kmg s ALA 58 N -0.57 2.91 0.31 3.71 0.00 0.27 -2.56 121.76 125.83 2kmg s ALA 58 Ca 0.09 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 2kmg s ALA 58 Cb -0.09 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.99 2kmg s ALA 58 CO -0.01 -0.93 0.64 -0.51 0.00 0.00 0.00 175.76 174.95 2kmg s LEU 59 N 1.41 4.03 0.38 0.00 1.43 -1.26 -1.31 118.68 123.37 2kmg s LEU 59 Ca 0.01 0.98 0.21 0.00 -1.03 0.00 0.00 54.13 54.30 2kmg s LEU 59 Cb -0.17 -3.80 0.51 0.00 0.03 0.00 0.00 46.19 42.76 2kmg s LEU 59 CO -0.00 -0.21 1.65 0.77 0.23 0.00 0.00 176.35 178.78 2kmg h SER 60 N 1.93 0.00 0.39 2.29 4.64 -1.89 -2.94 113.55 117.97 2kmg h SER 60 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.28 -0.12 0.47 -0.87 0.00 0.00 176.83 177.25 2kmg n ASP 61 N -3.26 0.46 0.00 4.97 9.92 -1.26 -4.89 116.55 122.49 2kmg n ASP 61 Ca 0.02 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 2kmg n ASP 61 Cb 0.56 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmg n GLY 62 N 1.30 0.69 1.93 0.44 0.00 -1.11 -4.95 105.19 103.50 2kmg n GLY 62 Ca 0.14 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.60 4.17 1.81 -0.02 0.00 -1.26 -4.63 105.19 102.66 2kmg n GLY 63 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.41 0.08 -4.27 1.61 3.72 -1.26 -4.38 117.46 112.54 2kmg n PHE 64 Ca 0.42 0.54 -0.17 0.00 -0.05 0.00 0.00 57.45 58.18 2kmg n PHE 64 Cb 1.00 -1.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 2kmg n PHE 64 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2kmg n TYR 65 N 0.44 -0.52 -4.05 1.38 4.11 -1.06 -4.95 117.16 112.51 2kmg n TYR 65 Ca 0.10 -2.32 -0.13 0.00 -0.00 0.00 0.00 57.90 55.55 2kmg n TYR 65 Cb 0.08 0.20 -0.12 0.00 -0.00 0.00 0.00 39.34 39.50 2kmg n TYR 65 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 2kmg s MET 66 N -3.17 0.46 -0.07 -3.48 -1.94 -1.26 -1.67 119.30 108.17 2kmg s MET 66 Ca 0.30 -0.65 -0.05 0.00 -1.71 0.00 0.00 55.69 53.58 2kmg s MET 66 Cb 0.01 -0.22 0.03 0.00 2.01 0.00 0.00 34.83 36.66 2kmg s MET 66 CO 0.22 0.04 0.18 0.00 -0.01 0.00 0.00 175.02 175.44 2kmg s ALA 67 N -1.24 -0.39 1.03 3.03 0.00 -1.04 -4.30 121.76 118.86 2kmg s ALA 67 Ca -0.10 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 2kmg s ALA 67 Cb -0.09 -0.43 0.21 0.00 0.00 0.00 0.00 23.12 22.81 2kmg s ALA 67 CO 0.00 -0.14 1.08 -1.25 0.00 0.00 0.00 175.76 175.45 2kmg s PRO 68 N 0.77 0.14 -0.56 0.00 0.04 -1.23 -0.40 135.00 133.77 2kmg s PRO 68 Ca -0.06 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 2kmg s PRO 68 Cb -0.07 -1.70 0.14 0.00 0.04 0.00 0.00 34.50 32.92 2kmg s PRO 68 CO -0.04 -2.95 0.35 0.34 0.04 0.00 0.00 177.00 174.73 2kmg s ASP 69 N -3.24 5.00 -0.17 6.66 2.15 -0.42 -4.42 116.67 122.24 2kmg s ASP 69 Ca 0.66 -2.75 -0.02 0.00 0.43 0.00 0.00 52.55 50.87 2kmg s ASP 69 Cb -0.20 -1.79 0.05 0.00 -0.30 0.00 0.00 42.92 40.68 2kmg s ASP 69 CO 0.59 -0.36 0.02 -0.76 -0.17 0.00 0.00 175.17 174.49 2kmg s LEU 70 N 0.09 1.18 -0.46 -1.34 2.01 -1.26 -4.40 118.68 114.49 2kmg s LEU 70 Ca 0.15 -0.71 -0.23 0.00 0.01 0.00 0.00 54.13 53.35 2kmg s LEU 70 Cb -0.22 -0.62 0.03 0.00 0.01 0.00 0.00 46.19 45.39 2kmg s LEU 70 CO -0.03 -0.28 0.81 0.00 1.01 0.00 0.00 176.35 177.87 2kmg s ALA 71 N 1.84 3.27 0.00 4.21 0.00 -1.26 -3.77 121.76 126.05 2kmg s ALA 71 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2kmg s ALA 71 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2kmg s ALA 71 CO -0.07 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.10 2kmg n GLY 72 N 5.00 0.84 3.31 0.00 0.00 -1.26 -5.04 105.19 108.03 2kmg n GLY 72 Ca 0.02 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.60 3.16 -0.17 1.61 0.52 -1.26 -4.44 118.95 116.77 2kmg s ARG 73 Ca 0.00 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 2kmg s ARG 73 Cb 0.00 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 2kmg s ARG 73 CO 0.00 -0.34 -0.12 -0.51 0.02 0.00 0.00 175.30 174.35 2kmg s LEU 74 N 1.46 2.64 -0.43 2.53 1.02 -1.26 -4.97 118.68 119.67 2kmg s LEU 74 Ca 0.03 -0.42 -0.28 0.00 0.02 0.00 0.00 54.13 53.49 2kmg s LEU 74 Cb -0.16 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 44.41 2kmg s LEU 74 CO -0.01 0.07 1.80 -1.83 0.02 0.00 0.00 176.35 176.41 2kmg s GLU 75 N 0.91 3.08 -0.28 1.70 -1.05 -1.26 -1.51 118.70 120.30 2kmg s GLU 75 Ca -0.03 1.11 -0.00 0.00 -0.15 0.00 0.00 54.97 55.90 2kmg s GLU 75 Cb -0.15 -4.26 0.05 0.00 -0.44 0.00 0.00 34.13 29.33 2kmg s GLU 75 CO -0.01 -2.17 -0.05 0.42 0.95 0.00 0.00 175.26 174.41 2kmg s ILE 76 N 7.65 2.73 -0.19 1.83 -1.09 -1.22 -4.75 121.20 126.16 2kmg s ILE 76 Ca 0.75 -1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 2kmg s ILE 76 Cb -0.18 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 2kmg s ILE 76 CO 0.29 -0.01 0.58 -1.83 -1.23 0.00 0.00 174.94 172.74 2kmg s GLU 77 N 1.23 4.22 -0.47 2.79 -1.05 0.14 -2.17 118.70 123.39 2kmg s GLU 77 Ca -0.05 0.54 -0.12 0.00 -0.15 0.00 0.00 54.97 55.19 2kmg s GLU 77 Cb -0.19 -3.56 0.10 0.00 -0.44 0.00 0.00 34.13 30.04 2kmg s GLU 77 CO -0.03 -0.17 0.37 0.08 0.95 0.00 0.00 175.26 176.45 2kmg s VAL 78 N 1.70 4.70 0.12 1.83 1.01 -0.30 -4.16 120.40 125.29 2kmg s VAL 78 Ca 0.27 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 2kmg s VAL 78 Cb -0.16 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 2kmg s VAL 78 CO 0.10 -0.67 1.28 0.78 0.00 0.00 0.00 175.10 176.60 2kmg h ASN 79 N 8.61 0.62 -0.68 3.32 2.35 -1.91 0.43 115.58 128.32 2kmg h ASN 79 Ca -0.25 -0.49 0.20 0.00 -0.55 0.00 0.00 56.30 55.20 2kmg h ASN 79 Cb 1.09 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 2kmg h ASN 79 CO 0.87 1.29 0.98 1.23 -1.65 0.00 0.00 177.43 180.16 2kmg h GLY 80 N 1.06 0.00 0.00 2.83 0.00 -1.93 -0.59 103.07 104.43 2kmg h GLY 80 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2kmg h GLY 80 CO 0.17 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.87 2kmg n ASN 81 N -3.19 0.00 -0.26 0.19 6.94 -1.22 -5.00 115.26 112.72 2kmg n ASN 81 Ca 0.15 -1.00 -0.03 0.00 -0.02 0.00 0.00 54.58 53.67 2kmg n ASN 81 Cb 1.20 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.60 2kmg n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kmg n GLY 82 N 0.00 0.47 3.54 4.83 0.00 0.11 -4.92 105.19 109.21 2kmg n GLY 82 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.60 2.46 -0.40 1.61 5.36 0.98 -4.84 117.98 121.56 2kmg s PHE 83 Ca 0.00 -0.47 -0.24 0.00 -0.96 0.00 0.00 56.93 55.27 2kmg s PHE 83 Cb 0.00 -4.60 0.02 0.00 -0.34 0.00 0.00 43.02 38.10 2kmg s PHE 83 CO 0.00 -1.95 0.81 1.03 -1.46 0.00 0.00 175.22 173.65 2kmg s ARG 84 N 5.10 3.64 -0.29 10.12 3.00 -1.26 -1.15 118.95 138.11 2kmg s ARG 84 Ca 0.37 0.20 -0.21 0.00 0.00 0.00 0.00 55.73 56.10 2kmg s ARG 84 Cb -0.06 -3.85 0.13 0.00 0.00 0.00 0.00 34.95 31.17 2kmg s ARG 84 CO 0.04 -0.97 1.01 0.20 0.00 0.00 0.00 175.30 175.59 2kmg s GLY 85 N 1.97 -0.08 0.59 -3.53 0.00 -0.92 -4.96 107.32 100.39 2kmg s GLY 85 Ca 0.32 2.91 -0.19 0.00 0.00 0.00 0.00 44.72 47.76 2kmg s GLY 85 CO 0.20 2.19 1.18 -1.83 0.00 0.00 0.00 173.10 174.83 2kmg s GLU 86 N 0.75 3.05 -0.18 2.90 1.03 -1.26 -3.44 118.70 121.55 2kmg s GLU 86 Ca -0.02 1.74 -0.28 0.00 0.03 0.00 0.00 54.97 56.44 2kmg s GLU 86 Cb -0.04 -1.95 0.09 0.00 -0.80 0.00 0.00 34.13 31.43 2kmg s GLU 86 CO -0.11 -1.12 0.82 -1.17 -1.33 0.00 0.00 175.26 172.35 2kmg s LEU 87 N -4.06 -0.59 0.81 1.83 2.96 -0.57 -4.84 118.68 114.22 2kmg s LEU 87 Ca 0.75 0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 55.47 2kmg s LEU 87 Cb -0.28 2.27 0.08 0.00 0.50 0.00 0.00 46.19 48.76 2kmg s LEU 87 CO 0.32 -0.36 1.12 -0.44 -1.32 0.00 0.00 176.35 175.66 2kmg s SER 88 N -0.42 4.03 0.12 3.68 0.01 -1.26 -4.01 113.70 115.85 2kmg s SER 88 Ca -0.03 1.98 0.16 0.00 1.31 0.00 0.00 55.95 59.36 2kmg s SER 88 Cb -0.03 -2.54 0.69 0.00 0.21 0.00 0.00 66.02 64.36 2kmg s SER 88 CO 0.03 -2.36 1.49 0.00 0.41 0.00 0.00 173.24 172.80 2kmg n ALA 89 N -3.63 1.47 0.03 1.44 0.00 -1.25 0.21 120.51 118.78 2kmg n ALA 89 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2kmg n ALA 89 Cb 0.52 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 2kmg n ALA 89 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kmg h ASP 90 N 0.00 0.00 0.00 0.00 1.82 -1.86 -2.85 116.42 113.53 2kmg h ASP 90 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kmg h ASP 90 Cb 0.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.22 2kmg h ASP 90 CO 0.00 0.64 -1.03 0.00 -1.61 0.00 0.00 179.24 177.24 2kmg n ALA 91 N -2.40 3.57 -0.08 -0.78 0.00 -0.73 -4.44 120.51 115.65 2kmg n ALA 91 Ca -0.10 -0.42 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 2kmg n ALA 91 Cb 0.86 -0.55 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.57 1.25 0.16 0.00 0.00 0.13 -4.17 120.51 116.31 2kmg n ALA 92 Ca 0.01 -0.92 0.16 0.00 0.00 0.00 0.00 53.44 52.69 2kmg n ALA 92 Cb 0.29 -0.34 0.75 0.00 0.00 0.00 0.00 19.45 20.15 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 1.88 0.00 1.46 0.00 0.00 -1.69 0.15 103.07 104.88 2kmg h GLY 93 Ca -0.51 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2kmg h GLY 93 CO -0.01 0.00 0.17 -2.22 0.00 0.00 0.00 176.54 174.48 2kmg h ILE 94 N 0.00 1.19 0.00 2.60 1.08 -1.75 -1.96 117.51 118.67 2kmg h ILE 94 Ca 0.11 -0.61 -0.18 0.00 -0.39 0.00 0.00 64.86 63.79 2kmg h ILE 94 Cb 0.53 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 2kmg h ILE 94 CO -0.00 0.23 -0.94 0.58 -0.69 0.00 0.00 178.15 177.33 2kmg h VAL 95 N 0.68 1.31 -0.14 1.67 2.07 -0.93 -2.78 116.25 118.13 2kmg h VAL 95 Ca 0.16 -2.91 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 2kmg h VAL 95 Cb 0.17 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2kmg h VAL 95 CO -0.01 0.74 -0.04 0.00 0.02 0.00 0.00 177.57 178.28 2kmg h ALA 96 N 1.17 0.20 -0.16 1.67 0.00 -0.73 -2.31 119.26 119.10 2kmg h ALA 96 Ca -0.04 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2kmg h ALA 96 Cb 1.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2kmg h ALA 96 CO 0.10 -0.04 -0.52 0.00 0.00 0.00 0.00 179.25 178.79 2kmg h THR 97 N -0.03 1.33 -0.40 0.00 1.03 -1.50 -3.09 112.91 110.25 2kmg h THR 97 Ca 0.04 -1.77 0.07 0.00 -0.01 0.00 0.00 66.41 64.74 2kmg h THR 97 Cb 0.47 1.98 -0.07 0.00 -1.07 0.00 0.00 68.15 69.47 2kmg h THR 97 CO 0.02 0.55 -0.01 -0.07 -0.01 0.00 0.00 175.52 176.00 2kmg h LEU 98 N 0.32 -0.18 -1.90 0.00 3.38 -1.52 -0.14 115.31 115.27 2kmg h LEU 98 Ca -0.02 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kmg h LEU 98 Cb 1.15 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2kmg h LEU 98 CO 0.11 -0.05 0.03 -0.26 0.09 0.00 0.00 178.44 178.36 2kmg h PHE 99 N 0.10 0.09 -0.42 1.13 -1.00 -1.46 -1.95 116.94 113.43 2kmg h PHE 99 Ca 0.20 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.86 2kmg h PHE 99 Cb 0.28 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2kmg h PHE 99 CO -0.27 0.07 -0.20 0.00 -1.61 0.00 0.00 178.31 176.30 2kmg h ALA 100 N 1.94 0.59 -0.96 2.45 0.00 -0.97 -3.00 119.26 119.32 2kmg h ALA 100 Ca 0.03 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2kmg h ALA 100 Cb 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2kmg h ALA 100 CO -0.00 0.56 0.62 -0.07 0.00 0.00 0.00 179.25 180.36 2kmg h LEU 101 N 0.70 0.98 -1.41 0.00 3.38 -0.54 -0.83 115.31 117.59 2kmg h LEU 101 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2kmg h LEU 101 Cb 0.77 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kmg h LEU 101 CO 0.06 0.62 -0.10 1.23 0.09 0.00 0.00 178.44 180.35 2kmg h GLY 102 N 1.11 0.00 0.05 0.83 0.00 -1.39 -2.44 103.07 101.23 2kmg h GLY 102 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.64 2kmg h GLY 102 CO -0.16 0.00 -0.56 -1.61 0.00 0.00 0.00 176.54 174.21 2kmg h GLN 103 N 0.00 0.02 -0.98 4.80 4.15 -1.08 -3.22 115.11 118.80 2kmg h GLN 103 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2kmg h GLN 103 Cb 0.57 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 2kmg h GLN 103 CO 0.01 1.02 0.62 -0.07 -1.93 0.00 0.00 178.83 178.49 2kmg h LEU 104 N -0.94 1.15 -1.43 -2.39 3.38 -1.34 0.50 115.31 114.23 2kmg h LEU 104 Ca -0.15 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2kmg h LEU 104 Cb 1.17 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2kmg h LEU 104 CO -0.07 0.86 -0.04 0.00 0.09 0.00 0.00 178.44 179.28 2kmg h ALA 105 N 1.35 1.54 -0.00 1.53 0.00 -1.59 -2.13 119.26 119.96 2kmg h ALA 105 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kmg h ALA 105 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2kmg h ALA 105 CO -0.07 0.33 -0.66 0.00 0.00 0.00 0.00 179.25 178.86 2kmg n ALA 106 N -2.49 3.96 -0.06 0.00 0.00 -0.72 -3.82 120.51 117.37 2kmg n ALA 106 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 2kmg n ALA 106 Cb 0.22 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 0.61 -0.00 -0.14 0.00 4.22 0.62 -3.33 114.58 116.55 2kmg h GLU 107 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 2kmg h GLU 107 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kmg h GLU 107 CO 0.00 0.78 -0.29 -0.84 -2.18 0.00 0.00 179.01 176.49 2kmg h ILE 108 N -0.99 1.26 -5.53 2.32 3.07 -1.67 -3.48 117.51 112.48 2kmg h ILE 108 Ca -0.00 -1.22 -0.03 0.00 1.55 0.00 0.00 64.86 65.16 2kmg h ILE 108 Cb 0.79 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 2kmg h ILE 108 CO 0.00 0.37 -0.91 0.00 -1.05 0.00 0.00 178.15 176.56 2kmg n ALA 109 N -2.48 -3.00 -3.38 0.16 0.00 -1.25 -5.05 120.51 105.51 2kmg n ALA 109 Ca -0.01 0.54 -0.06 0.00 0.00 0.00 0.00 53.44 53.92 2kmg n ALA 109 Cb 0.39 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 0.52 -0.41 -0.01 0.00 9.92 -1.26 -5.00 116.55 120.30 2kmg n ASP 110 Ca 0.02 -1.69 0.00 0.00 -0.53 0.00 0.00 54.79 52.60 2kmg n ASP 110 Cb 0.26 0.80 -0.00 0.00 -0.64 0.00 0.00 41.12 41.54 2kmg n ASP 110 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2kmg n THR 111 N -0.21 0.00 0.02 -3.53 -1.04 -1.26 -4.46 114.28 103.80 2kmg n THR 111 Ca 0.01 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.05 61.52 2kmg n THR 111 Cb 0.21 1.01 -0.00 0.00 -1.82 0.00 0.00 70.33 69.72 2kmg n THR 111 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2kmg n ASP 112 N -0.68 0.76 0.04 8.00 8.00 -1.26 -4.66 116.55 126.74 2kmg n ASP 112 Ca 0.00 0.10 -0.05 0.00 0.71 0.00 0.00 54.79 55.56 2kmg n ASP 112 Cb 0.02 -0.28 0.16 0.00 -0.02 0.00 0.00 41.12 40.99 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmg h ALA 113 N -0.25 0.96 0.00 2.24 0.00 -1.99 -2.01 119.26 118.21 2kmg h ALA 113 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kmg h ALA 113 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kmg h ALA 113 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2kmg n ALA 114 N -2.49 1.47 0.15 0.00 0.00 -1.26 -1.70 120.51 116.68 2kmg n ALA 114 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2kmg n ALA 114 Cb 0.50 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.48 0.48 -0.06 0.00 9.92 -0.99 -4.44 116.55 119.97 2kmg n ASP 115 Ca 0.03 -0.74 -0.17 0.00 -0.53 0.00 0.00 54.79 53.38 2kmg n ASP 115 Cb 0.11 0.71 -0.13 0.00 -0.64 0.00 0.00 41.12 41.18 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 0.54 0.06 0.00 2.24 0.00 -0.60 -3.31 119.26 118.18 2kmg h ALA 116 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2kmg h ALA 116 Cb 0.10 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kmg h ALA 116 CO 0.00 0.24 0.00 1.37 0.00 0.00 0.00 179.25 180.86 2kmg h LEU 117 N -0.89 0.00 -1.26 0.00 -0.00 -1.80 -2.76 115.31 108.60 2kmg h LEU 117 Ca -0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.73 2kmg h LEU 117 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2kmg h LEU 117 CO -0.03 0.00 0.04 0.40 -0.00 0.00 0.00 178.44 178.86 2kmg h ILE 118 N 0.00 1.19 -0.81 0.15 1.08 -1.78 -2.57 117.51 114.77 2kmg h ILE 118 Ca 0.00 -0.71 0.15 0.00 -0.39 0.00 0.00 64.86 63.91 2kmg h ILE 118 Cb 0.46 0.87 -0.09 0.00 -3.07 0.00 0.00 36.82 34.98 2kmg h ILE 118 CO 0.00 0.25 0.38 0.44 -0.69 0.00 0.00 178.15 178.53 2kmg h ASP 119 N 0.53 0.43 -0.86 1.72 3.32 -1.61 0.28 116.42 120.22 2kmg h ASP 119 Ca 0.12 0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.39 2kmg h ASP 119 Cb 0.28 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 2kmg h ASP 119 CO 0.00 0.17 0.56 0.03 -1.72 0.00 0.00 179.24 178.28 2kmg h ARG 120 N 0.55 0.70 0.23 3.56 -0.00 -1.64 -1.43 114.38 116.35 2kmg h ARG 120 Ca 0.44 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.87 2kmg h ARG 120 Cb 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.46 2kmg h ARG 120 CO -0.38 0.46 -0.11 -0.92 0.00 0.00 0.00 179.97 179.02 2kmg h TYR 121 N 0.72 -0.28 -0.86 3.04 5.03 -1.05 -0.61 116.97 122.96 2kmg h TYR 121 Ca 0.42 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.86 2kmg h TYR 121 Cb 0.60 0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.91 2kmg h TYR 121 CO -0.00 0.06 0.56 0.45 -1.32 0.00 0.00 178.16 177.90 2kmg h HIS 122 N -0.66 0.76 0.10 -3.82 3.86 -1.09 -0.86 115.15 113.44 2kmg h HIS 122 Ca -0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2kmg h HIS 122 Cb 0.47 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2kmg h HIS 122 CO 0.03 0.29 -0.05 0.74 0.86 0.00 0.00 177.93 179.81 2kmg h PHE 123 N 0.66 -0.13 0.21 2.45 0.04 -1.22 -3.24 116.94 115.70 2kmg h PHE 123 Ca 0.43 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.20 2kmg h PHE 123 Cb 0.70 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 2kmg h PHE 123 CO -0.00 0.37 -0.35 1.25 -0.60 0.00 0.00 178.31 178.98 2kmg h LEU 124 N -0.89 -0.99 -1.07 1.54 5.85 -0.83 -1.97 115.31 116.96 2kmg h LEU 124 Ca -0.01 0.10 0.31 0.00 0.84 0.00 0.00 57.88 59.12 2kmg h LEU 124 Cb 0.55 0.36 -0.14 0.00 0.37 0.00 0.00 40.66 41.80 2kmg h LEU 124 CO 0.02 -0.46 0.61 -0.09 -0.34 0.00 0.00 178.44 178.18 2kmg h ARG 125 N -0.64 0.36 -0.20 1.25 2.43 -1.32 0.47 114.38 116.73 2kmg h ARG 125 Ca 0.01 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2kmg h ARG 125 Cb 0.63 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2kmg h ARG 125 CO -0.15 0.23 -0.25 0.78 -1.51 0.00 0.00 179.97 179.08 2kmg h GLY 126 N 0.37 0.40 1.46 2.80 0.00 -1.39 -2.88 103.07 103.82 2kmg h GLY 126 Ca 0.71 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 2kmg h GLY 126 CO -0.54 0.29 -0.05 -2.75 0.00 0.00 0.00 176.54 173.49 2kmg h PHE 127 N 0.33 0.70 0.00 5.60 3.57 0.25 -1.98 116.94 125.41 2kmg h PHE 127 Ca 0.05 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2kmg h PHE 127 Cb 0.62 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2kmg h PHE 127 CO 0.02 0.70 0.00 0.00 -2.23 0.00 0.00 178.31 176.79 2kmg n ALA 128 N -2.48 2.19 0.18 2.41 0.00 -1.04 -2.70 120.51 119.07 2kmg n ALA 128 Ca 0.02 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2kmg n ALA 128 Cb 0.31 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.57 2kmg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg h ALA 129 N 3.17 0.82 -0.25 0.00 0.00 -1.37 -3.13 119.26 118.50 2kmg h ALA 129 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kmg h ALA 129 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kmg h ALA 129 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2kmg n GLY 130 N 0.93 0.98 3.83 0.00 0.00 -1.10 -4.81 105.19 105.03 2kmg n GLY 130 Ca 0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2kmg n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kmg s HIS 131 N -1.69 3.35 0.49 1.61 3.76 -1.18 -4.96 115.29 116.67 2kmg s HIS 131 Ca 0.35 1.46 0.15 0.00 -0.15 0.00 0.00 55.06 56.87 2kmg s HIS 131 Cb 0.20 -2.74 1.19 0.00 1.11 0.00 0.00 32.58 32.34 2kmg s HIS 131 CO 0.29 -0.08 2.10 -1.35 -0.85 0.00 0.00 174.74 174.86 2kmg h PRO 132 N 1.89 0.14 -0.59 8.40 0.11 -1.92 -0.47 132.00 139.55 2kmg h PRO 132 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kmg h PRO 132 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kmg h PRO 132 CO 0.62 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 2kmg n GLU 133 N -4.50 4.36 -0.33 1.05 1.02 -1.26 -4.60 120.64 116.37 2kmg n GLU 133 Ca 0.01 -3.04 0.21 0.00 -0.02 0.00 0.00 57.16 54.32 2kmg n GLU 133 Cb 0.17 -2.10 0.42 0.00 -0.02 0.00 0.00 31.44 29.91 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 3.93 1.63 -0.63 0.62 0.00 -1.24 0.58 119.26 124.16 2kmg h ALA 134 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2kmg h ALA 134 Cb 1.75 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 19.87 2kmg h ALA 134 CO 0.38 -0.68 0.30 0.00 0.00 0.00 0.00 179.25 179.24 2kmg h ALA 135 N 1.93 0.84 -0.20 0.00 0.00 -1.83 0.35 119.26 120.36 2kmg h ALA 135 Ca 0.69 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.46 2kmg h ALA 135 Cb 1.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2kmg h ALA 135 CO -0.78 -0.08 -0.64 0.00 0.00 0.00 0.00 179.25 177.75 2kmg h ALA 136 N 1.38 0.49 0.14 0.00 0.00 -0.26 -2.92 119.26 118.09 2kmg h ALA 136 Ca 0.30 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kmg h ALA 136 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kmg h ALA 136 CO -0.24 0.69 -0.07 0.82 0.00 0.00 0.00 179.25 180.45 2kmg h ILE 137 N 0.53 1.01 -0.47 0.00 2.04 -0.68 -1.29 117.51 118.64 2kmg h ILE 137 Ca -0.01 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 2kmg h ILE 137 Cb 1.24 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2kmg h ILE 137 CO 0.13 0.17 0.09 0.10 0.00 0.00 0.00 178.15 178.64 2kmg h TYR 138 N -0.55 0.74 0.00 1.37 -0.00 -1.06 -1.57 116.97 115.91 2kmg h TYR 138 Ca -0.02 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.73 58.52 2kmg h TYR 138 Cb 0.43 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 36.92 2kmg h TYR 138 CO 0.04 0.64 -0.60 0.07 -0.00 0.00 0.00 178.16 178.31 2kmg h ARG 139 N 0.69 0.00 -0.12 0.10 0.11 -1.54 0.69 114.38 114.32 2kmg h ARG 139 Ca 0.15 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.10 2kmg h ARG 139 Cb 0.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 2kmg h ARG 139 CO 0.00 0.60 -0.51 0.00 0.10 0.00 0.00 179.97 180.16 2kmg h ALA 140 N 1.40 0.92 -0.01 0.08 0.00 -0.43 -2.93 119.26 118.30 2kmg h ALA 140 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kmg h ALA 140 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kmg h ALA 140 CO 0.08 0.67 -0.56 0.44 0.00 0.00 0.00 179.25 179.87 2kmg n ILE 141 N -3.95 0.00 1.38 0.00 -6.64 -0.67 -4.71 119.36 104.77 2kmg n ILE 141 Ca -0.02 -0.09 0.11 0.00 -1.77 0.00 0.00 62.75 60.98 2kmg n ILE 141 Cb 0.56 0.70 0.65 0.00 -1.44 0.00 0.00 39.64 40.11 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11