#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdc n ASN 2 N 0.00 3.74 0.01 0.00 6.94 -1.26 -4.42 115.26 120.27 2kdc n ASN 2 Ca 0.00 -2.11 0.01 0.00 -0.02 0.00 0.00 54.58 52.46 2kdc n ASN 2 Cb 0.00 -0.91 0.04 0.00 -2.36 0.00 0.00 39.78 36.55 2kdc n ASN 2 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kdc n ASN 3 N 2.21 0.04 -3.61 0.53 3.02 -1.26 -4.67 115.26 111.52 2kdc n ASN 3 Ca 0.17 0.44 -0.04 0.00 -0.03 0.00 0.00 54.58 55.12 2kdc n ASN 3 Cb 0.52 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2kdc n ASN 3 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2kdc s THR 4 N -2.89 0.00 0.00 3.41 -1.32 -1.26 -5.08 115.64 108.50 2kdc s THR 4 Ca -0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2kdc s THR 4 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2kdc s THR 4 CO 0.01 0.00 0.00 0.41 -2.21 0.00 0.00 174.62 172.83 2kdc n THR 5 N 0.08 0.00 0.00 5.08 -1.04 -1.26 -5.00 114.28 112.13 2kdc n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kdc n THR 5 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 2kdc n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kdc n GLY 6 N -1.38 0.00 0.24 3.41 0.00 -1.26 -5.00 105.19 101.19 2kdc n GLY 6 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2kdc n GLY 6 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2kdc h PHE 7 N 0.00 0.51 -0.86 1.61 -1.00 -1.99 -0.86 116.94 114.34 2kdc h PHE 7 Ca 0.00 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.84 2kdc h PHE 7 Cb 0.00 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 2kdc h PHE 7 CO 0.00 0.20 0.57 1.79 -1.61 0.00 0.00 178.31 179.26 2kdc h THR 8 N 0.52 1.16 -0.50 -1.55 1.35 -1.98 0.19 112.91 112.09 2kdc h THR 8 Ca 0.29 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 2kdc h THR 8 Cb 0.27 -0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 2kdc h THR 8 CO -0.23 0.20 0.22 -0.09 -0.25 0.00 0.00 175.52 175.36 2kdc h ARG 9 N 1.09 0.73 0.03 4.72 2.43 -1.59 0.61 114.38 122.40 2kdc h ARG 9 Ca 0.34 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2kdc h ARG 9 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2kdc h ARG 9 CO -0.10 0.63 -0.01 0.82 -1.51 0.00 0.00 179.97 179.80 2kdc h ILE 10 N 0.66 1.20 -0.14 1.20 2.04 -0.65 0.79 117.51 122.60 2kdc h ILE 10 Ca 0.17 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2kdc h ILE 10 Cb 0.16 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2kdc h ILE 10 CO -0.02 0.18 0.07 0.40 0.00 0.00 0.00 178.15 178.79 2kdc h ILE 11 N -0.34 1.10 -0.38 -0.67 2.04 -0.90 -1.22 117.51 117.15 2kdc h ILE 11 Ca -0.00 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 2kdc h ILE 11 Cb 0.32 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2kdc h ILE 11 CO 0.01 0.10 -0.08 0.50 0.00 0.00 0.00 178.15 178.67 2kdc h LYS 12 N 0.12 0.65 -0.79 2.37 3.64 0.24 0.23 116.57 123.03 2kdc h LYS 12 Ca 0.05 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2kdc h LYS 12 Cb 0.09 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2kdc h LYS 12 CO -0.01 0.73 0.44 0.00 -2.27 0.00 0.00 179.45 178.35 2kdc h ALA 13 N 1.31 1.01 0.17 5.00 0.00 0.99 -2.99 119.26 124.76 2kdc h ALA 13 Ca 0.11 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2kdc h ALA 13 Cb 0.50 -0.32 0.03 0.00 0.00 0.00 0.00 17.79 18.01 2kdc h ALA 13 CO 0.03 0.51 -1.20 0.00 0.00 0.00 0.00 179.25 178.59 2kdc h ALA 14 N 1.23 -0.09 0.00 0.00 0.00 -0.93 -3.47 119.26 116.01 2kdc h ALA 14 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kdc h ALA 14 Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kdc h ALA 14 CO -0.05 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2kdc n GLY 15 N 1.56 1.36 1.27 0.00 0.00 0.77 -3.99 105.19 106.17 2kdc n GLY 15 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 2kdc n GLY 15 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kdc n TYR 16 N -1.88 -0.80 0.09 1.61 4.02 -1.26 -4.68 117.16 114.26 2kdc n TYR 16 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 2kdc n TYR 16 Cb 0.00 -1.19 -0.15 0.00 -0.02 0.00 0.00 39.34 37.98 2kdc n TYR 16 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2kdc h SER 17 N 0.00 0.66 -0.76 7.72 4.64 -1.97 -3.30 113.55 120.54 2kdc h SER 17 Ca -0.04 -0.92 0.02 0.00 -0.47 0.00 0.00 61.79 60.38 2kdc h SER 17 Cb 0.14 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 2kdc h SER 17 CO 0.06 1.53 0.50 -0.50 -0.87 0.00 0.00 176.83 177.55 2kdc h TRP 18 N -0.10 0.92 -0.87 4.77 6.55 -1.83 -1.54 115.95 123.84 2kdc h TRP 18 Ca -0.19 0.02 0.14 0.00 0.95 0.00 0.00 58.89 59.81 2kdc h TRP 18 Cb 1.86 -0.31 -0.07 0.00 -0.86 0.00 0.00 29.16 29.78 2kdc h TRP 18 CO 0.16 0.55 0.56 -0.22 -1.05 0.00 0.00 178.44 178.45 2kdc h LYS 19 N 0.97 0.64 -0.80 0.49 3.64 -1.94 0.24 116.57 119.82 2kdc h LYS 19 Ca 0.29 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 2kdc h LYS 19 Cb -0.02 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2kdc h LYS 19 CO -0.08 0.42 0.31 0.78 -2.27 0.00 0.00 179.45 178.62 2kdc h GLY 20 N 0.66 1.28 2.00 5.01 0.00 -1.39 -2.49 103.07 108.14 2kdc h GLY 20 Ca 0.43 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 2kdc h GLY 20 CO -0.19 0.66 -0.77 1.41 0.00 0.00 0.00 176.54 177.65 2kdc h LEU 21 N 1.16 0.00 -0.36 3.11 -0.00 -1.01 -3.27 115.31 114.95 2kdc h LEU 21 Ca 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 58.16 2kdc h LEU 21 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2kdc h LEU 21 CO -0.02 0.77 0.20 0.03 -0.00 0.00 0.00 178.44 179.43 2kdc h ARG 22 N 0.00 0.40 -0.92 1.13 2.47 -0.18 -1.73 114.38 115.54 2kdc h ARG 22 Ca -0.01 -0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.83 2kdc h ARG 22 Cb 1.46 -0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 29.60 2kdc h ARG 22 CO 0.10 0.26 0.53 0.00 0.56 0.00 0.00 179.97 181.43 2kdc h ALA 23 N 1.16 1.41 -0.02 0.04 0.00 -1.53 0.23 119.26 120.56 2kdc h ALA 23 Ca 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2kdc h ALA 23 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kdc h ALA 23 CO -0.07 0.03 -0.38 0.00 0.00 0.00 0.00 179.25 178.83 2kdc h ALA 24 N 1.56 1.35 -6.12 0.00 0.00 -1.48 -3.47 119.26 111.09 2kdc h ALA 24 Ca 0.49 -0.35 -0.44 0.00 0.00 0.00 0.00 54.91 54.61 2kdc h ALA 24 Cb 0.63 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kdc h ALA 24 CO -0.33 0.48 -0.75 0.91 0.00 0.00 0.00 179.25 179.57 2kdc n TRP 25 N -4.09 -2.40 0.10 0.00 8.01 0.79 -4.75 117.44 115.10 2kdc n TRP 25 Ca -0.02 0.93 0.05 0.00 -1.31 0.00 0.00 57.50 57.16 2kdc n TRP 25 Cb 0.42 -4.37 0.29 0.00 -2.01 0.00 0.00 31.31 25.64 2kdc n TRP 25 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.69 177.12 2kdc n ILE 26 N -4.69 1.20 0.28 -0.99 -6.64 -1.26 -1.14 119.36 106.13 2kdc n ILE 26 Ca -0.03 0.64 -0.11 0.00 -1.77 0.00 0.00 62.75 61.48 2kdc n ILE 26 Cb 0.56 -1.64 -0.05 0.00 -1.44 0.00 0.00 39.64 37.07 2kdc n ILE 26 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2kdc h ASN 27 N 0.00 -0.61 0.00 7.28 2.35 -1.91 -3.21 115.58 119.48 2kdc h ASN 27 Ca 0.00 0.02 -0.34 0.00 -0.55 0.00 0.00 56.30 55.43 2kdc h ASN 27 Cb 0.21 0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 2kdc h ASN 27 CO 0.00 -0.41 -2.11 1.21 -1.65 0.00 0.00 177.43 174.48 2kdc n GLU 28 N -4.14 0.56 0.00 0.81 2.13 -1.01 -4.34 120.64 114.65 2kdc n GLU 28 Ca -0.09 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2kdc n GLU 28 Cb 0.29 -1.45 0.01 0.00 0.27 0.00 0.00 31.44 30.56 2kdc n GLU 28 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kdc n ALA 29 N -4.27 1.51 -0.31 4.31 0.00 -0.29 -3.68 120.51 117.79 2kdc n ALA 29 Ca -0.43 -0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.29 2kdc n ALA 29 Cb 0.78 -1.01 0.49 0.00 0.00 0.00 0.00 19.45 19.71 2kdc n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdc n ALA 30 N -0.94 0.92 -0.01 0.00 0.00 -1.21 0.11 120.51 119.39 2kdc n ALA 30 Ca 0.00 0.73 -0.21 0.00 0.00 0.00 0.00 53.44 53.97 2kdc n ALA 30 Cb 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 2kdc n ALA 30 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2kdc n PHE 31 N -4.50 1.16 -0.10 0.00 1.16 -1.24 -3.85 117.46 110.10 2kdc n PHE 31 Ca 0.30 0.25 0.01 0.00 -1.87 0.00 0.00 57.45 56.14 2kdc n PHE 31 Cb 1.10 -1.15 0.30 0.00 -1.61 0.00 0.00 39.48 38.12 2kdc n PHE 31 CO 0.00 0.00 0.00 -0.09 -1.87 0.00 0.00 176.76 174.80 2kdc h ARG 32 N 0.06 0.74 0.88 3.97 9.65 0.51 -2.80 114.38 127.40 2kdc h ARG 32 Ca -0.43 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 2kdc h ARG 32 Cb 2.03 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 30.46 2kdc h ARG 32 CO 0.08 0.56 -0.44 0.37 2.80 0.00 0.00 179.97 183.33 2kdc h GLN 33 N 0.75 -1.16 -1.48 0.20 4.15 0.46 -1.15 115.11 116.87 2kdc h GLN 33 Ca 0.19 0.08 0.47 0.00 0.77 0.00 0.00 58.65 60.16 2kdc h GLN 33 Cb 0.04 0.26 -0.10 0.00 0.21 0.00 0.00 27.48 27.89 2kdc h GLN 33 CO -0.03 -0.78 1.02 0.39 -1.93 0.00 0.00 178.83 177.50 2kdc n GLU 34 N -5.31 -0.02 0.05 1.69 1.02 -1.07 0.28 120.64 117.29 2kdc n GLU 34 Ca -0.15 1.05 -0.20 0.00 -0.02 0.00 0.00 57.16 57.84 2kdc n GLU 34 Cb 0.48 -2.22 -0.13 0.00 -0.02 0.00 0.00 31.44 29.55 2kdc n GLU 34 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kdc h GLY 35 N 0.00 0.45 -0.16 0.62 0.00 -1.29 -3.23 103.07 99.46 2kdc h GLY 35 Ca 0.81 -0.98 0.16 0.00 0.00 0.00 0.00 47.33 47.32 2kdc h GLY 35 CO -0.23 0.86 0.08 -2.08 0.00 0.00 0.00 176.54 175.17 2kdc h VAL 36 N -0.17 0.45 0.00 4.60 2.07 0.52 1.86 116.25 125.58 2kdc h VAL 36 Ca -0.13 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kdc h VAL 36 Cb 1.61 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2kdc h VAL 36 CO 0.16 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2kdc n ALA 37 N -2.78 1.44 -0.05 1.67 0.00 -0.79 0.02 120.51 120.01 2kdc n ALA 37 Ca 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2kdc n ALA 37 Cb 0.44 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 2kdc n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kdc n VAL 38 N -1.78 1.57 -0.05 0.00 0.31 0.60 -3.79 118.33 115.19 2kdc n VAL 38 Ca 0.02 -0.76 -0.03 0.00 -0.01 0.00 0.00 64.34 63.55 2kdc n VAL 38 Cb 0.13 -1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 32.00 2kdc n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kdc n LEU 39 N -3.07 1.30 -0.32 7.52 4.77 0.73 -3.40 117.00 124.53 2kdc n LEU 39 Ca -0.27 0.52 0.17 0.00 -0.03 0.00 0.00 56.01 56.40 2kdc n LEU 39 Cb 1.07 -0.76 0.42 0.00 -2.33 0.00 0.00 43.42 41.82 2kdc n LEU 39 CO 0.42 -0.48 1.21 0.25 -1.33 0.00 0.00 177.39 177.46 2kdc h LEU 40 N -0.72 0.61 -0.84 2.23 6.46 -0.64 0.95 115.31 123.35 2kdc h LEU 40 Ca 0.00 0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 2kdc h LEU 40 Cb 0.37 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2kdc h LEU 40 CO 0.00 0.20 -0.55 0.00 -0.62 0.00 0.00 178.44 177.47 2kdc h ALA 41 N 1.63 1.03 0.04 1.25 0.00 -1.66 -2.41 119.26 119.15 2kdc h ALA 41 Ca 0.56 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 2kdc h ALA 41 Cb 1.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2kdc h ALA 41 CO -0.31 0.69 -1.13 0.28 0.00 0.00 0.00 179.25 178.77 2kdc h VAL 42 N 0.07 1.08 -0.35 0.00 2.07 -0.43 -3.07 116.25 115.61 2kdc h VAL 42 Ca -0.00 -2.28 0.04 0.00 0.82 0.00 0.00 66.70 65.28 2kdc h VAL 42 Cb 0.99 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 2kdc h VAL 42 CO 0.08 0.50 0.11 0.58 0.02 0.00 0.00 177.57 178.86 2kdc h VAL 43 N -0.75 0.88 -0.42 2.57 2.07 0.61 -1.68 116.25 119.53 2kdc h VAL 43 Ca -0.28 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2kdc h VAL 43 Cb 1.42 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2kdc h VAL 43 CO -0.09 0.05 0.25 -0.29 0.02 0.00 0.00 177.57 177.51 2kdc h ILE 44 N 0.25 1.14 -0.50 4.57 6.09 -1.61 -1.60 117.51 125.86 2kdc h ILE 44 Ca 0.16 -0.33 0.14 0.00 -1.37 0.00 0.00 64.86 63.46 2kdc h ILE 44 Cb 0.15 0.60 -0.02 0.00 0.47 0.00 0.00 36.82 38.02 2kdc h ILE 44 CO -0.18 0.14 0.38 0.00 -3.07 0.00 0.00 178.15 175.43 2kdc h ALA 45 N 1.11 2.41 -0.34 0.18 0.00 -1.29 0.37 119.26 121.70 2kdc h ALA 45 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2kdc h ALA 45 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kdc h ALA 45 CO -0.03 -0.64 -0.24 0.00 0.00 0.00 0.00 179.25 178.34 2kdc h TRP 47 N 0.53 -0.13 -3.15 0.00 4.06 -0.65 -3.46 115.95 113.15 2kdc h TRP 47 Ca 0.06 -0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.56 2kdc h TRP 47 Cb 0.80 0.04 0.10 0.00 -1.00 0.00 0.00 29.16 29.10 2kdc h TRP 47 CO 0.06 0.39 0.21 -0.51 -3.56 0.00 0.00 178.44 175.03 2kdc s LEU 48 N -8.83 2.89 0.00 -4.49 1.02 0.10 -5.11 118.68 104.26 2kdc s LEU 48 Ca -0.13 0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.10 2kdc s LEU 48 Cb -0.00 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.71 2kdc s LEU 48 CO 0.50 -1.92 0.00 0.47 0.02 0.00 0.00 176.35 175.42 2kdc n ASP 49 N -3.04 0.00 -3.62 2.29 8.00 -1.26 -4.61 116.55 114.31 2kdc n ASP 49 Ca 0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.52 2kdc n ASP 49 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 2kdc n ASP 49 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kdc s VAL 50 N 1.55 0.00 0.00 2.53 -7.23 -1.26 -4.84 120.40 111.14 2kdc s VAL 50 Ca 0.00 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2kdc s VAL 50 Cb 0.00 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2kdc s VAL 50 CO 0.00 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 2kdc n ASP 51 N -0.82 0.00 -4.39 4.85 5.75 -1.26 -5.15 116.55 115.53 2kdc n ASP 51 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.38 2kdc n ASP 51 Cb 0.61 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.74 2kdc n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kdc n ALA 52 N -3.00 -1.88 -2.17 2.12 0.00 -1.26 -4.94 120.51 109.39 2kdc n ALA 52 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.37 2kdc n ALA 52 Cb 0.00 -1.70 0.05 0.00 0.00 0.00 0.00 19.45 17.79 2kdc n ALA 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2kdc n ILE 53 N -1.85 0.43 -0.10 0.00 -5.35 -1.26 -4.87 119.36 106.36 2kdc n ILE 53 Ca 0.10 -1.16 -0.09 0.00 -0.27 0.00 0.00 62.75 61.33 2kdc n ILE 53 Cb 0.48 0.63 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 2kdc n ILE 53 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2kdc h THR 54 N 5.73 1.11 -1.06 7.28 1.35 -2.02 -1.60 112.91 123.70 2kdc h THR 54 Ca -0.13 -0.25 0.28 0.00 -0.55 0.00 0.00 66.41 65.76 2kdc h THR 54 Cb 1.60 0.67 -0.10 0.00 -1.73 0.00 0.00 68.15 68.59 2kdc h THR 54 CO 0.06 0.11 0.67 0.03 -0.25 0.00 0.00 175.52 176.14 2kdc h ARG 55 N 0.43 0.38 0.00 4.72 2.47 -2.02 1.33 114.38 121.69 2kdc h ARG 55 Ca 0.12 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2kdc h ARG 55 Cb -0.00 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 2kdc h ARG 55 CO -0.02 0.25 -0.04 0.28 0.56 0.00 0.00 179.97 180.99 2kdc h VAL 56 N 0.39 0.95 -1.01 2.04 2.07 -1.67 -1.91 116.25 117.11 2kdc h VAL 56 Ca 0.62 -0.16 0.24 0.00 0.82 0.00 0.00 66.70 68.23 2kdc h VAL 56 Cb 1.56 1.09 -0.12 0.00 -1.52 0.00 0.00 31.29 32.30 2kdc h VAL 56 CO -0.34 0.04 0.61 0.25 0.02 0.00 0.00 177.57 178.16 2kdc h LEU 57 N 0.00 0.66 -1.26 2.57 5.85 0.18 1.41 115.31 124.72 2kdc h LEU 57 Ca -0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2kdc h LEU 57 Cb 0.08 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2kdc h LEU 57 CO 0.01 0.13 0.51 0.25 -0.34 0.00 0.00 178.44 178.99 2kdc h LEU 58 N 0.58 0.86 0.11 2.25 6.46 -1.44 0.14 115.31 124.26 2kdc h LEU 58 Ca 0.63 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.36 2kdc h LEU 58 Cb 1.22 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 2kdc h LEU 58 CO -0.43 0.61 -0.05 0.40 -0.62 0.00 0.00 178.44 178.35 2kdc h ILE 59 N 1.01 0.43 -1.25 4.05 2.04 0.13 -3.06 117.51 120.86 2kdc h ILE 59 Ca 0.29 -1.16 0.36 0.00 1.00 0.00 0.00 64.86 65.35 2kdc h ILE 59 Cb -0.08 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 2kdc h ILE 59 CO -0.07 0.13 0.85 -1.28 0.00 0.00 0.00 178.15 177.79 2kdc h SER 60 N -1.00 0.20 0.61 1.72 0.87 0.92 1.51 113.55 118.39 2kdc h SER 60 Ca -0.01 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2kdc h SER 60 Cb 0.33 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2kdc h SER 60 CO 0.02 -0.02 -0.29 0.77 -0.53 0.00 0.00 176.83 176.78 2kdc h SER 61 N 0.15 -0.70 0.18 6.23 4.64 -0.77 -2.47 113.55 120.80 2kdc h SER 61 Ca 0.67 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 62.00 2kdc h SER 61 Cb 2.25 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 64.52 2kdc h SER 61 CO -0.20 -0.41 -0.10 0.58 -0.87 0.00 0.00 176.83 175.82 2kdc h VAL 62 N -1.00 0.80 -0.89 0.95 2.07 -0.88 -1.56 116.25 115.74 2kdc h VAL 62 Ca -0.08 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.12 2kdc h VAL 62 Cb 0.63 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 2kdc h VAL 62 CO 0.14 0.10 0.58 -0.03 0.02 0.00 0.00 177.57 178.38 2kdc h MET 63 N 0.00 0.97 -0.79 1.57 4.05 0.22 0.12 114.93 121.06 2kdc h MET 63 Ca -0.00 -0.06 0.16 0.00 -0.28 0.00 0.00 59.70 59.52 2kdc h MET 63 Cb 0.22 -0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 2kdc h MET 63 CO 0.01 0.64 0.53 -0.07 0.23 0.00 0.00 176.91 178.25 2kdc h LEU 64 N 0.99 0.42 -1.91 3.39 3.38 -0.81 0.56 115.31 121.34 2kdc h LEU 64 Ca 0.38 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.56 2kdc h LEU 64 Cb 0.22 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2kdc h LEU 64 CO -0.14 0.21 0.47 1.62 0.09 0.00 0.00 178.44 180.69 2kdc h VAL 65 N 0.45 0.70 -0.20 1.22 3.04 -0.86 -1.50 116.25 119.09 2kdc h VAL 65 Ca 0.39 -0.03 0.04 0.00 -1.01 0.00 0.00 66.70 66.09 2kdc h VAL 65 Cb 0.88 0.61 -0.04 0.00 -2.01 0.00 0.00 31.29 30.73 2kdc h VAL 65 CO -0.14 0.02 -0.05 0.24 -1.01 0.00 0.00 177.57 176.63 2kdc h MET 66 N 0.09 0.00 -0.54 4.17 2.86 0.05 0.78 114.93 122.34 2kdc h MET 66 Ca 0.32 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.12 2kdc h MET 66 Cb 1.15 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 2kdc h MET 66 CO -0.03 0.00 0.77 -0.84 1.06 0.00 0.00 176.91 177.87 2kdc h ILE 67 N 0.00 0.15 0.00 -1.22 3.07 -1.38 2.70 117.51 120.83 2kdc h ILE 67 Ca 0.10 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 66.29 2kdc h ILE 67 Cb 0.14 0.35 -0.04 0.00 -0.27 0.00 0.00 36.82 37.01 2kdc h ILE 67 CO -0.20 0.00 -1.45 0.58 -1.05 0.00 0.00 178.15 176.03 2kdc h VAL 68 N 0.00 0.71 0.00 0.16 2.07 -0.98 -3.25 116.25 114.96 2kdc h VAL 68 Ca 0.26 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2kdc h VAL 68 Cb 1.79 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2kdc h VAL 68 CO -0.00 0.40 -0.74 -0.62 0.02 0.00 0.00 177.57 176.63 2kdc n GLU 69 N -2.99 0.43 0.25 1.57 1.02 0.77 -3.72 120.64 117.97 2kdc n GLU 69 Ca -0.11 0.24 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 2kdc n GLU 69 Cb 0.92 -1.33 -0.08 0.00 -0.02 0.00 0.00 31.44 30.93 2kdc n GLU 69 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2kdc h ILE 70 N -0.83 0.00 -0.98 -3.67 2.04 0.22 0.73 117.51 115.03 2kdc h ILE 70 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 2kdc h ILE 70 Cb 0.74 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 2kdc h ILE 70 CO 0.00 0.00 0.63 0.25 0.00 0.00 0.00 178.15 179.03 2kdc h LEU 71 N -0.86 0.50 -0.15 1.44 6.46 -1.57 2.41 115.31 123.54 2kdc h LEU 71 Ca -0.05 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2kdc h LEU 71 Cb 0.74 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2kdc h LEU 71 CO -0.05 0.16 0.00 -3.20 -0.62 0.00 0.00 178.44 174.74 2kdc n ASN 72 N -4.60 0.39 -0.08 1.25 5.15 -0.46 -1.69 115.26 115.22 2kdc n ASN 72 Ca 0.22 0.56 -0.15 0.00 -0.60 0.00 0.00 54.58 54.61 2kdc n ASN 72 Cb 0.74 -0.66 -0.10 0.00 -0.53 0.00 0.00 39.78 39.23 2kdc n ASN 72 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2kdc h SER 73 N 0.00 0.00 -0.15 1.20 0.02 1.04 -3.01 113.55 112.65 2kdc h SER 73 Ca 0.00 -0.64 0.02 0.00 -0.84 0.00 0.00 61.79 60.33 2kdc h SER 73 Cb 0.49 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2kdc h SER 73 CO 0.00 1.13 0.02 0.00 -1.14 0.00 0.00 176.83 176.84 2kdc h ALA 74 N -0.36 0.14 -0.02 3.77 0.00 -0.75 1.89 119.26 123.93 2kdc h ALA 74 Ca -0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kdc h ALA 74 Cb 1.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kdc h ALA 74 CO -0.08 -0.43 0.13 0.82 0.00 0.00 0.00 179.25 179.69 2kdc h ILE 75 N 0.07 0.05 0.01 0.00 1.08 -1.48 0.12 117.51 117.36 2kdc h ILE 75 Ca 0.07 0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 64.19 2kdc h ILE 75 Cb 0.07 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 2kdc h ILE 75 CO -0.10 0.00 -2.18 1.21 -0.69 0.00 0.00 178.15 176.39 2kdc n GLU 76 N -3.09 0.67 0.16 2.37 2.13 0.67 -3.94 120.64 119.61 2kdc n GLU 76 Ca -0.02 0.12 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 2kdc n GLU 76 Cb 0.20 -1.61 -0.08 0.00 0.27 0.00 0.00 31.44 30.22 2kdc n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kdc h ALA 77 N 0.78 -0.34 -0.88 4.31 0.00 0.53 1.79 119.26 125.45 2kdc h ALA 77 Ca -0.47 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.46 2kdc h ALA 77 Cb 2.12 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 2kdc h ALA 77 CO 0.03 -0.68 0.57 -0.24 0.00 0.00 0.00 179.25 178.93 2kdc h VAL 78 N -0.34 0.97 0.00 0.00 3.04 -1.40 0.56 116.25 119.07 2kdc h VAL 78 Ca -0.03 -0.30 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 2kdc h VAL 78 Cb 0.26 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.54 2kdc h VAL 78 CO 0.06 0.16 -0.63 0.58 -1.01 0.00 0.00 177.57 176.73 2kdc h VAL 79 N 0.87 0.94 0.00 1.51 2.07 -1.53 -3.44 116.25 116.68 2kdc h VAL 79 Ca 0.41 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2kdc h VAL 79 Cb 0.41 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2kdc h VAL 79 CO -0.17 0.54 0.00 -0.67 0.02 0.00 0.00 177.57 177.28 2kdc n ASP 80 N -3.22 0.00 -0.08 0.57 2.03 0.60 -5.02 116.55 111.43 2kdc n ASP 80 Ca 0.01 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.17 2kdc n ASP 80 Cb 0.77 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.12 2kdc n ASP 80 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kdc n ARG 81 N 0.00 0.42 -0.74 -0.67 0.63 -1.02 -5.02 116.66 110.26 2kdc n ARG 81 Ca 0.00 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 2kdc n ARG 81 Cb 0.00 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.68 2kdc n ARG 81 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2kdc n ILE 82 N -4.09 -3.01 0.00 5.15 3.06 -1.12 -4.93 119.36 114.42 2kdc n ILE 82 Ca -0.26 1.12 0.00 0.00 -2.50 0.00 0.00 62.75 61.11 2kdc n ILE 82 Cb 0.59 -1.59 0.00 0.00 0.54 0.00 0.00 39.64 39.18 2kdc n ILE 82 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kdc n GLY 83 N -0.86 -0.09 3.15 4.50 0.00 -1.26 -5.06 105.19 105.57 2kdc n GLY 83 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2kdc n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kdc s SER 84 N -1.47 -0.58 -0.81 1.61 0.15 -1.26 -5.08 113.70 106.26 2kdc s SER 84 Ca 0.00 0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.63 2kdc s SER 84 Cb 0.00 1.43 -0.16 0.00 -1.71 0.00 0.00 66.02 65.58 2kdc s SER 84 CO 0.00 -0.11 2.40 -1.84 1.20 0.00 0.00 173.24 174.89 2kdc n GLU 85 N 5.34 0.52 -0.07 5.44 0.28 -1.26 -4.71 120.64 126.17 2kdc n GLU 85 Ca 0.00 -0.78 -0.13 0.00 -0.16 0.00 0.00 57.16 56.10 2kdc n GLU 85 Cb 0.55 -3.47 -0.10 0.00 1.43 0.00 0.00 31.44 29.84 2kdc n GLU 85 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 2kdc h TYR 86 N 12.61 0.00 0.01 -1.84 5.03 -2.04 -3.42 116.97 127.32 2kdc h TYR 86 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2kdc h TYR 86 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.29 2kdc h TYR 86 CO 1.18 0.88 -0.00 0.45 -1.32 0.00 0.00 178.16 179.35 2kdc h HIS 87 N -1.00 -0.01 -0.33 -3.82 3.86 -2.08 -3.42 115.15 108.35 2kdc h HIS 87 Ca -0.05 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.05 2kdc h HIS 87 Cb 0.87 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 2kdc h HIS 87 CO 0.20 -0.01 0.57 0.39 0.86 0.00 0.00 177.93 179.94 2kdc n GLU 88 N -4.14 0.45 0.00 2.45 -0.58 -1.26 -4.17 120.64 113.39 2kdc n GLU 88 Ca -0.00 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 2kdc n GLU 88 Cb 0.01 -3.05 0.00 0.00 -0.57 0.00 0.00 31.44 27.82 2kdc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2kdc n LEU 89 N 15.55 0.00 -2.74 -4.62 0.00 -1.26 -4.83 117.00 119.10 2kdc n LEU 89 Ca 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.42 2kdc n LEU 89 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.75 2kdc n LEU 89 CO 0.68 0.00 1.47 -1.54 0.00 0.00 0.00 177.39 178.00 2kdc n SER 90 N -0.06 2.76 -0.98 1.96 3.41 -1.26 -4.80 113.62 114.65 2kdc n SER 90 Ca 0.00 -2.06 0.12 0.00 -0.26 0.00 0.00 58.87 56.67 2kdc n SER 90 Cb 0.00 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.14 2kdc n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kdc n GLY 91 N 3.36 -3.10 0.16 5.00 0.00 -1.26 -3.78 105.19 105.56 2kdc n GLY 91 Ca 0.24 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 45.13 2kdc n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kdc h ARG 92 N -0.97 0.00 0.11 1.61 0.11 -1.98 -3.25 114.38 110.01 2kdc h ARG 92 Ca -0.13 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.94 2kdc h ARG 92 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2kdc h ARG 92 CO 0.05 0.37 -0.05 0.00 0.10 0.00 0.00 179.97 180.44 2kdc h ALA 93 N 1.63 -0.15 -0.48 0.08 0.00 -2.00 -2.87 119.26 115.47 2kdc h ALA 93 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kdc h ALA 93 Cb 1.28 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2kdc h ALA 93 CO 0.05 -0.50 0.29 0.87 0.00 0.00 0.00 179.25 179.97 2kdc h LYS 94 N -0.32 0.65 -1.00 0.00 1.79 -1.65 -2.58 116.57 113.45 2kdc h LYS 94 Ca -0.02 -0.05 0.32 0.00 -2.18 0.00 0.00 60.65 58.73 2kdc h LYS 94 Cb 0.26 -0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 30.62 2kdc h LYS 94 CO 0.02 0.45 0.57 0.22 -1.08 0.00 0.00 179.45 179.63 2kdc h ASP 95 N 0.66 0.51 -0.10 0.86 1.82 -1.54 1.23 116.42 119.87 2kdc h ASP 95 Ca 0.17 0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.89 2kdc h ASP 95 Cb -0.03 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2kdc h ASP 95 CO -0.03 -0.14 -0.38 0.24 -1.61 0.00 0.00 179.24 177.32 2kdc h MET 96 N 0.32 0.44 -0.37 0.28 2.86 -1.54 -3.16 114.93 113.76 2kdc h MET 96 Ca 0.73 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.98 2kdc h MET 96 Cb 1.67 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.38 2kdc h MET 96 CO -0.61 0.96 -0.03 0.78 1.06 0.00 0.00 176.91 179.08 2kdc h GLY 97 N 0.00 0.64 -0.25 8.32 0.00 -0.46 -2.10 103.07 109.23 2kdc h GLY 97 Ca -0.02 -0.41 0.32 0.00 0.00 0.00 0.00 47.33 47.23 2kdc h GLY 97 CO 0.08 0.38 0.80 1.48 0.00 0.00 0.00 176.54 179.28 2kdc h SER 98 N 0.57 0.03 0.00 0.19 4.64 0.14 0.89 113.55 120.01 2kdc h SER 98 Ca 0.12 0.01 -0.35 0.00 -0.47 0.00 0.00 61.79 61.09 2kdc h SER 98 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 2kdc h SER 98 CO 0.02 0.01 -1.90 0.00 -0.87 0.00 0.00 176.83 174.09 2kdc n ALA 99 N -2.74 0.99 0.22 5.18 0.00 -0.97 -4.08 120.51 119.11 2kdc n ALA 99 Ca 0.24 -0.79 0.17 0.00 0.00 0.00 0.00 53.44 53.06 2kdc n ALA 99 Cb 1.17 -0.23 0.84 0.00 0.00 0.00 0.00 19.45 21.23 2kdc n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdc h ALA 100 N -0.72 1.77 0.29 0.00 0.00 -0.64 -0.92 119.26 119.04 2kdc h ALA 100 Ca -0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2kdc h ALA 100 Cb 1.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kdc h ALA 100 CO -0.31 -0.26 -0.14 -0.39 0.00 0.00 0.00 179.25 178.16 2kdc h VAL 101 N 0.00 0.60 -0.13 0.00 -1.51 0.60 1.58 116.25 117.38 2kdc h VAL 101 Ca 0.07 -0.81 0.02 0.00 -1.23 0.00 0.00 66.70 64.76 2kdc h VAL 101 Cb 0.43 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2kdc h VAL 101 CO -0.00 0.13 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.39 2kdc h LEU 102 N -0.90 -0.08 -0.74 4.19 4.07 -1.58 -2.38 115.31 117.90 2kdc h LEU 102 Ca -0.04 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2kdc h LEU 102 Cb 0.51 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2kdc h LEU 102 CO 0.06 -0.02 -0.41 0.40 -1.08 0.00 0.00 178.44 177.40 2kdc h ILE 103 N 0.03 0.88 -0.88 1.22 5.03 -1.25 -3.21 117.51 119.33 2kdc h ILE 103 Ca 0.06 -1.69 0.22 0.00 -0.12 0.00 0.00 64.86 63.33 2kdc h ILE 103 Cb 0.08 2.04 -0.13 0.00 -3.03 0.00 0.00 36.82 35.79 2kdc h ILE 103 CO -0.12 0.40 0.34 0.00 -0.68 0.00 0.00 178.15 178.09 2kdc h ALA 104 N 1.59 1.36 -0.77 1.87 0.00 0.28 0.69 119.26 124.29 2kdc h ALA 104 Ca -0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2kdc h ALA 104 Cb 1.01 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2kdc h ALA 104 CO 0.05 -0.38 0.37 0.82 0.00 0.00 0.00 179.25 180.12 2kdc h ILE 105 N 0.34 1.24 0.19 0.00 2.04 -1.58 -2.18 117.51 117.56 2kdc h ILE 105 Ca 0.55 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2kdc h ILE 105 Cb 1.06 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2kdc h ILE 105 CO -0.56 0.29 -0.09 0.40 0.00 0.00 0.00 178.15 178.19 2kdc h ILE 106 N 1.09 0.00 -0.06 -0.67 2.04 0.11 -3.27 117.51 116.75 2kdc h ILE 106 Ca 0.27 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2kdc h ILE 106 Cb 0.10 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2kdc h ILE 106 CO -0.03 0.00 -0.16 -0.37 0.00 0.00 0.00 178.15 177.59 2kdc h VAL 107 N -0.58 0.00 -1.38 1.67 -1.51 -0.86 0.40 116.25 113.99 2kdc h VAL 107 Ca -0.03 0.00 0.41 0.00 -1.23 0.00 0.00 66.70 65.85 2kdc h VAL 107 Cb 0.19 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.29 2kdc h VAL 107 CO 0.04 0.00 0.98 0.00 -1.23 0.00 0.00 177.57 177.37 2kdc n ALA 108 N -2.73 1.33 -1.01 5.19 0.00 -0.82 0.19 120.51 122.66 2kdc n ALA 108 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kdc n ALA 108 Cb 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2kdc n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kdc n VAL 109 N -3.50 0.00 -0.37 0.00 0.31 0.36 -3.97 118.33 111.16 2kdc n VAL 109 Ca 0.32 0.00 0.29 0.00 -0.01 0.00 0.00 64.34 64.94 2kdc n VAL 109 Cb 1.43 -0.66 0.58 0.00 -0.91 0.00 0.00 33.84 34.28 2kdc n VAL 109 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2kdc h ILE 110 N 0.00 0.36 0.17 2.52 2.04 0.09 0.90 117.51 123.59 2kdc h ILE 110 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kdc h ILE 110 Cb 0.00 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2kdc h ILE 110 CO 0.00 0.05 -0.15 0.74 0.00 0.00 0.00 178.15 178.79 2kdc h THR 111 N 0.25 0.67 0.00 -0.27 2.02 0.19 0.78 112.91 116.54 2kdc h THR 111 Ca 0.68 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.78 2kdc h THR 111 Cb 1.97 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2kdc h THR 111 CO -0.32 0.00 -0.36 -0.50 0.37 0.00 0.00 175.52 174.71 2kdc h TRP 112 N -0.34 0.00 0.67 3.16 4.06 -1.00 -1.82 115.95 120.68 2kdc h TRP 112 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 2kdc h TRP 112 Cb 0.31 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2kdc h TRP 112 CO -0.12 0.36 -0.32 0.00 -3.56 0.00 0.00 178.44 174.79 2kdc h ILE 114 N -1.18 1.24 -0.82 0.00 3.07 -0.88 -1.58 117.51 117.36 2kdc h ILE 114 Ca -0.09 -0.47 0.07 0.00 1.55 0.00 0.00 64.86 65.92 2kdc h ILE 114 Cb 0.72 -0.10 -0.06 0.00 -0.27 0.00 0.00 36.82 37.11 2kdc h ILE 114 CO 0.15 0.24 0.49 0.25 -1.05 0.00 0.00 178.15 178.24 2kdc h LEU 115 N 1.26 0.75 -0.27 0.16 5.85 -1.32 -1.80 115.31 119.94 2kdc h LEU 115 Ca 0.34 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 2kdc h LEU 115 Cb -0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2kdc h LEU 115 CO -0.07 0.47 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.39 2kdc h LEU 116 N 0.88 0.50 -2.41 2.25 3.38 -0.50 -2.38 115.31 117.02 2kdc h LEU 116 Ca 0.37 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kdc h LEU 116 Cb 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kdc h LEU 116 CO -0.20 0.72 0.19 -0.50 0.09 0.00 0.00 178.44 178.74 2kdc h TRP 117 N 0.26 0.00 0.00 1.13 4.06 -0.60 0.30 115.95 121.11 2kdc h TRP 117 Ca 0.07 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 2kdc h TRP 117 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 2kdc h TRP 117 CO 0.05 0.00 -0.20 0.77 -3.56 0.00 0.00 178.44 175.50 2kdc h SER 118 N 0.00 0.00 -0.25 -3.49 0.02 -0.80 -2.87 113.55 106.16 2kdc h SER 118 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kdc h SER 118 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2kdc h SER 118 CO -0.00 0.20 0.12 0.45 -1.14 0.00 0.00 176.83 176.46 2kdc h HIS 119 N 0.00 0.37 -3.59 3.45 3.86 -0.49 -3.39 115.15 115.36 2kdc h HIS 119 Ca -0.00 -0.02 -0.64 0.00 -1.16 0.00 0.00 60.37 58.55 2kdc h HIS 119 Cb 0.44 -0.11 -0.15 0.00 1.06 0.00 0.00 27.41 28.65 2kdc h HIS 119 CO 0.00 0.35 0.05 0.12 0.86 0.00 0.00 177.93 179.31 2kdc s PHE 120 N -5.70 3.15 0.00 2.45 5.36 -1.08 -5.18 117.98 116.97 2kdc s PHE 120 Ca -0.13 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 2kdc s PHE 120 Cb 0.08 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 2kdc s PHE 120 CO 0.72 -0.62 0.00 0.41 -1.46 0.00 0.00 175.22 174.26