#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdc h ASN 2 N 0.00 0.00 0.21 0.00 7.08 -2.10 -0.81 115.58 119.95 2kdc h ASN 2 Ca 0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 2kdc h ASN 2 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2kdc h ASN 2 CO 0.00 0.00 -0.19 0.78 -2.08 0.00 0.00 177.43 175.94 2kdc h ASN 3 N 0.00 0.00 0.00 6.14 4.21 -2.07 -3.45 115.58 120.41 2kdc h ASN 3 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kdc h ASN 3 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2kdc h ASN 3 CO 0.00 0.19 0.00 0.35 -1.29 0.00 0.00 177.43 176.68 2kdc n THR 4 N -4.24 0.00 0.00 2.81 -2.24 -0.31 -3.17 114.28 107.12 2kdc n THR 4 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2kdc n THR 4 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2kdc n THR 4 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2kdc n THR 5 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -5.03 114.28 110.03 2kdc n THR 5 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kdc n THR 5 Cb 0.00 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2kdc n THR 5 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kdc n GLY 6 N -0.35 0.00 0.34 3.38 0.00 -1.19 -5.02 105.19 102.36 2kdc n GLY 6 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.58 -0.70 1.61 0.04 -1.96 -0.86 116.94 115.65 2kdc h PHE 7 Ca 0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2kdc h PHE 7 Cb 0.00 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 2kdc h PHE 7 CO 0.00 0.31 0.42 1.79 -0.60 0.00 0.00 178.31 180.23 2kdc h THR 8 N 0.58 1.20 -0.56 -1.55 1.35 -1.93 -1.45 112.91 110.54 2kdc h THR 8 Ca 0.25 -0.44 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 2kdc h THR 8 Cb 0.26 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.88 2kdc h THR 8 CO -0.07 0.21 0.05 0.03 -0.25 0.00 0.00 175.52 175.48 2kdc h ARG 9 N 0.96 0.91 0.01 4.72 3.08 -1.57 -0.29 114.38 122.21 2kdc h ARG 9 Ca 0.25 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kdc h ARG 9 Cb -0.03 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2kdc h ARG 9 CO -0.05 0.88 -0.01 0.82 -1.07 0.00 0.00 179.97 180.54 2kdc h ILE 10 N 0.86 1.23 -0.13 2.04 2.04 -1.17 1.01 117.51 123.39 2kdc h ILE 10 Ca 0.17 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2kdc h ILE 10 Cb 0.44 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2kdc h ILE 10 CO 0.02 0.19 0.03 0.40 0.00 0.00 0.00 178.15 178.78 2kdc h ILE 11 N -0.33 0.95 -0.40 -0.67 2.04 -1.19 0.25 117.51 118.17 2kdc h ILE 11 Ca -0.00 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2kdc h ILE 11 Cb 0.32 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2kdc h ILE 11 CO 0.00 0.02 0.01 0.11 0.00 0.00 0.00 178.15 178.29 2kdc h LYS 12 N 0.09 0.70 -0.12 2.37 1.57 -1.02 -2.61 116.57 117.55 2kdc h LYS 12 Ca 0.06 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2kdc h LYS 12 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2kdc h LYS 12 CO -0.07 0.78 0.04 0.00 -0.57 0.00 0.00 179.45 179.63 2kdc h ALA 13 N 0.89 1.85 0.00 3.86 0.00 0.14 0.56 119.26 126.57 2kdc h ALA 13 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kdc h ALA 13 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kdc h ALA 13 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2kdc n ALA 14 N -2.52 1.94 -0.18 0.00 0.00 0.86 -3.21 120.51 117.41 2kdc n ALA 14 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 2kdc n ALA 14 Cb 0.11 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.15 2kdc n ALA 14 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kdc h GLY 15 N 3.26 0.87 -1.27 0.00 0.00 -0.67 -2.16 103.07 103.10 2kdc h GLY 15 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2kdc h GLY 15 CO 0.00 0.51 0.00 -1.72 0.00 0.00 0.00 176.54 175.33 2kdc n TYR 16 N -4.45 0.01 -0.27 5.60 4.02 -1.20 -4.20 117.16 116.68 2kdc n TYR 16 Ca 0.02 -0.13 0.04 0.00 -0.01 0.00 0.00 57.90 57.81 2kdc n TYR 16 Cb 0.22 -0.14 0.17 0.00 -0.02 0.00 0.00 39.34 39.57 2kdc n TYR 16 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2kdc h SER 17 N 0.02 0.53 -0.47 7.72 0.87 -1.55 0.27 113.55 120.93 2kdc h SER 17 Ca 0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2kdc h SER 17 Cb 0.64 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2kdc h SER 17 CO 0.00 0.28 0.28 -0.50 -0.53 0.00 0.00 176.83 176.36 2kdc h TRP 18 N 0.65 0.62 -0.40 2.24 6.55 -1.85 -2.25 115.95 121.52 2kdc h TRP 18 Ca 0.40 -0.00 -0.11 0.00 0.95 0.00 0.00 58.89 60.13 2kdc h TRP 18 Cb 0.46 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.54 2kdc h TRP 18 CO -0.09 0.44 -0.18 -0.22 -1.05 0.00 0.00 178.44 177.33 2kdc h LYS 19 N 0.62 0.76 0.00 0.49 1.63 -1.58 -2.11 116.57 116.38 2kdc h LYS 19 Ca 0.17 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2kdc h LYS 19 Cb 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2kdc h LYS 19 CO -0.03 0.89 0.00 0.41 -3.45 0.00 0.00 179.45 177.26 2kdc n GLY 20 N -0.32 -0.84 0.07 5.01 0.00 0.83 -2.44 105.19 107.49 2kdc n GLY 20 Ca 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2kdc n GLY 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kdc h LEU 21 N 0.00 0.01 -0.44 0.99 6.46 -0.81 -2.86 115.31 118.66 2kdc h LEU 21 Ca 0.00 -0.86 -0.17 0.00 -0.12 0.00 0.00 57.88 56.73 2kdc h LEU 21 Cb 0.18 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2kdc h LEU 21 CO 0.00 0.87 -0.50 -0.09 -0.62 0.00 0.00 178.44 178.10 2kdc h ARG 22 N -0.86 0.74 0.00 1.25 9.65 -1.60 -2.87 114.38 120.69 2kdc h ARG 22 Ca -0.00 -0.44 -0.02 0.00 -1.10 0.00 0.00 59.98 58.42 2kdc h ARG 22 Cb 0.87 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.49 2kdc h ARG 22 CO 0.00 1.07 -0.09 0.00 2.80 0.00 0.00 179.97 183.75 2kdc h ALA 23 N 0.85 1.66 -0.17 2.80 0.00 -1.60 -1.65 119.26 121.16 2kdc h ALA 23 Ca 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2kdc h ALA 23 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kdc h ALA 23 CO 0.11 0.11 -0.43 0.00 0.00 0.00 0.00 179.25 179.03 2kdc h ALA 24 N 1.91 0.94 0.55 0.00 0.00 -1.27 -2.62 119.26 118.78 2kdc h ALA 24 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2kdc h ALA 24 Cb 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kdc h ALA 24 CO 0.01 0.63 -0.27 -1.49 0.00 0.00 0.00 179.25 178.14 2kdc h TRP 25 N 0.34 -0.69 0.00 0.00 4.06 -1.29 -2.92 115.95 115.45 2kdc h TRP 25 Ca 0.03 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2kdc h TRP 25 Cb 0.90 0.23 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2kdc h TRP 25 CO 0.03 -0.43 0.09 0.44 -3.56 0.00 0.00 178.44 175.01 2kdc n ILE 26 N -4.89 1.16 0.33 1.49 -6.64 -1.11 -0.56 119.36 109.15 2kdc n ILE 26 Ca -0.09 0.66 -0.13 0.00 -1.77 0.00 0.00 62.75 61.42 2kdc n ILE 26 Cb 0.29 -1.66 -0.06 0.00 -1.44 0.00 0.00 39.64 36.77 2kdc n ILE 26 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 2kdc h ASN 27 N 0.00 -0.73 0.00 7.28 -1.24 -1.26 -3.42 115.58 116.22 2kdc h ASN 27 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2kdc h ASN 27 Cb 0.18 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2kdc h ASN 27 CO 0.00 -0.49 -0.05 -0.62 -1.29 0.00 0.00 177.43 174.98 2kdc n GLU 28 N -4.48 0.00 0.00 6.67 1.02 -1.06 -4.78 120.64 118.00 2kdc n GLU 28 Ca -0.11 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.05 2kdc n GLU 28 Cb 0.34 -0.46 0.09 0.00 -0.02 0.00 0.00 31.44 31.40 2kdc n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kdc n ALA 29 N -1.69 1.63 0.22 0.62 0.00 -0.93 -3.28 120.51 117.08 2kdc n ALA 29 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2kdc n ALA 29 Cb 0.02 -1.05 0.32 0.00 0.00 0.00 0.00 19.45 18.74 2kdc n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kdc h ALA 30 N 2.09 2.03 -0.00 0.00 0.00 -1.08 1.06 119.26 123.36 2kdc h ALA 30 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kdc h ALA 30 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kdc h ALA 30 CO 0.00 -0.96 -0.00 0.74 0.00 0.00 0.00 179.25 179.03 2kdc h PHE 31 N 0.00 0.01 -0.17 0.00 0.04 -1.85 -2.75 116.94 112.21 2kdc h PHE 31 Ca 0.10 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 2kdc h PHE 31 Cb 1.79 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.93 2kdc h PHE 31 CO 0.00 0.61 -0.07 0.00 -0.60 0.00 0.00 178.31 178.26 2kdc h ARG 32 N -0.60 0.25 0.42 1.51 2.47 0.82 -3.00 114.38 116.25 2kdc h ARG 32 Ca -0.00 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2kdc h ARG 32 Cb 0.61 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2kdc h ARG 32 CO 0.00 0.34 -0.22 0.37 0.56 0.00 0.00 179.97 181.02 2kdc h GLN 33 N 0.25 -0.57 -1.67 0.04 4.15 -1.22 -1.16 115.11 114.92 2kdc h GLN 33 Ca 0.05 0.04 0.52 0.00 0.77 0.00 0.00 58.65 60.03 2kdc h GLN 33 Cb 0.29 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.00 2kdc h GLN 33 CO 0.01 -0.38 1.15 0.93 -1.93 0.00 0.00 178.83 178.61 2kdc h GLU 34 N -0.60 0.01 0.26 1.69 5.08 -1.36 0.59 114.58 120.26 2kdc h GLU 34 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2kdc h GLU 34 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2kdc h GLU 34 CO 0.08 0.01 -0.12 0.78 -1.00 0.00 0.00 179.01 178.76 2kdc h GLY 35 N 0.01 -0.36 -0.06 -3.84 0.00 -1.30 -3.15 103.07 94.38 2kdc h GLY 35 Ca 0.89 0.13 0.25 0.00 0.00 0.00 0.00 47.33 48.60 2kdc h GLY 35 CO -0.22 -0.13 0.64 -2.08 0.00 0.00 0.00 176.54 174.76 2kdc h VAL 36 N -0.90 0.56 0.00 4.60 2.07 0.14 1.27 116.25 123.99 2kdc h VAL 36 Ca -0.04 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2kdc h VAL 36 Cb 0.51 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2kdc h VAL 36 CO 0.06 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.73 2kdc n ALA 37 N -2.43 1.46 0.02 1.67 0.00 -0.41 -1.37 120.51 119.45 2kdc n ALA 37 Ca 0.25 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.70 2kdc n ALA 37 Cb 0.80 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.45 0.70 -0.05 0.00 0.31 0.44 -3.90 118.33 114.38 2kdc n VAL 38 Ca 0.03 -0.62 -0.03 0.00 -0.01 0.00 0.00 64.34 63.71 2kdc n VAL 38 Cb 0.10 -0.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.65 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 -2.62 1.35 -0.31 7.52 4.32 -0.47 -3.78 117.00 123.00 2kdc n LEU 39 Ca -0.08 0.54 0.13 0.00 -0.02 0.00 0.00 56.01 56.57 2kdc n LEU 39 Cb 0.72 -0.78 0.31 0.00 -1.62 0.00 0.00 43.42 42.05 2kdc n LEU 39 CO 0.43 -0.48 1.09 -0.07 -1.22 0.00 0.00 177.39 177.14 2kdc h LEU 40 N -0.75 0.48 -1.38 2.23 4.07 -1.62 0.42 115.31 118.76 2kdc h LEU 40 Ca 0.00 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 2kdc h LEU 40 Cb 0.38 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 2kdc h LEU 40 CO 0.00 0.09 0.33 0.00 -1.08 0.00 0.00 178.44 177.77 2kdc h ALA 41 N 1.68 1.53 0.03 1.53 0.00 -1.77 -2.46 119.26 119.80 2kdc h ALA 41 Ca 0.56 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 55.14 2kdc h ALA 41 Cb 0.99 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kdc h ALA 41 CO -0.47 0.40 -1.06 0.28 0.00 0.00 0.00 179.25 178.40 2kdc h VAL 42 N 0.76 1.32 -0.89 0.00 2.07 -0.38 -3.27 116.25 115.87 2kdc h VAL 42 Ca 0.20 -2.37 0.23 0.00 0.82 0.00 0.00 66.70 65.58 2kdc h VAL 42 Cb -0.02 2.46 -0.13 0.00 -1.52 0.00 0.00 31.29 32.09 2kdc h VAL 42 CO -0.04 0.72 0.34 0.58 0.02 0.00 0.00 177.57 179.19 2kdc h VAL 43 N 0.32 0.41 -0.38 2.57 2.07 -0.40 0.63 116.25 121.48 2kdc h VAL 43 Ca -0.13 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2kdc h VAL 43 Cb 1.71 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2kdc h VAL 43 CO 0.20 0.06 0.16 0.40 0.02 0.00 0.00 177.57 178.41 2kdc h ILE 44 N 0.32 1.18 0.32 4.57 1.08 -1.58 0.69 117.51 124.09 2kdc h ILE 44 Ca 0.56 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 2kdc h ILE 44 Cb 1.10 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 2kdc h ILE 44 CO -0.57 0.20 -0.15 0.00 -0.69 0.00 0.00 178.15 176.93 2kdc h ALA 45 N 1.01 -0.43 0.60 1.87 0.00 -0.55 0.24 119.26 122.01 2kdc h ALA 45 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kdc h ALA 45 Cb 0.17 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kdc h ALA 45 CO -0.01 -0.62 -0.29 0.00 0.00 0.00 0.00 179.25 178.33 2kdc h TRP 47 N -0.92 -0.63 -0.65 0.00 2.91 0.32 -3.44 115.95 113.55 2kdc h TRP 47 Ca -0.08 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2kdc h TRP 47 Cb 0.66 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 2kdc h TRP 47 CO -0.01 -0.33 0.00 1.28 -1.03 0.00 0.00 178.44 178.35 2kdc n LEU 48 N -5.36 0.00 0.00 0.65 4.77 0.85 -5.06 117.00 112.85 2kdc n LEU 48 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2kdc n LEU 48 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2kdc n LEU 48 CO 0.23 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.76 2kdc n ASP 49 N 0.00 0.03 -4.93 -1.43 8.00 -1.24 -4.69 116.55 112.29 2kdc n ASP 49 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2kdc n ASP 49 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.18 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 2.21 2.01 0.00 2.53 -7.23 -1.26 -4.37 120.40 114.28 2kdc s VAL 50 Ca 0.00 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2kdc s VAL 50 Cb 0.00 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2kdc s VAL 50 CO 0.00 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.12 2kdc n ASP 51 N -2.46 1.25 -2.97 4.85 2.03 -1.26 -5.13 116.55 112.86 2kdc n ASP 51 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2kdc n ASP 51 Cb 0.62 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.10 2kdc n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kdc n ALA 52 N -3.00 -0.51 0.23 -1.67 0.00 -1.26 -4.95 120.51 109.35 2kdc n ALA 52 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 53.44 52.67 2kdc n ALA 52 Cb 0.00 0.01 0.53 0.00 0.00 0.00 0.00 19.45 19.99 2kdc n ALA 52 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2kdc h ILE 53 N -1.13 1.02 -1.34 0.00 3.07 -2.02 -3.02 117.51 114.08 2kdc h ILE 53 Ca -0.19 -0.71 0.39 0.00 1.55 0.00 0.00 64.86 65.90 2kdc h ILE 53 Cb 0.56 1.39 -0.05 0.00 -0.27 0.00 0.00 36.82 38.45 2kdc h ILE 53 CO 0.15 0.19 1.07 0.35 -1.05 0.00 0.00 178.15 178.86 2kdc n THR 54 N -4.12 0.00 -0.05 0.16 -2.24 -1.26 0.27 114.28 107.03 2kdc n THR 54 Ca -0.02 1.11 -0.15 0.00 -2.27 0.00 0.00 64.05 62.72 2kdc n THR 54 Cb 0.27 -1.89 -0.13 0.00 -2.10 0.00 0.00 70.33 66.48 2kdc n THR 54 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2kdc h ARG 55 N 0.00 0.04 -0.15 -0.78 2.43 -1.91 -3.31 114.38 110.70 2kdc h ARG 55 Ca 0.64 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.57 2kdc h ARG 55 Cb 2.77 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 32.34 2kdc h ARG 55 CO -0.01 1.01 -0.62 0.28 -1.51 0.00 0.00 179.97 179.12 2kdc h VAL 56 N -0.89 1.34 -0.69 0.20 2.07 0.37 -3.19 116.25 115.45 2kdc h VAL 56 Ca -0.02 -1.91 0.15 0.00 0.82 0.00 0.00 66.70 65.74 2kdc h VAL 56 Cb 1.06 1.89 -0.12 0.00 -1.52 0.00 0.00 31.29 32.60 2kdc h VAL 56 CO 0.02 0.59 0.01 0.25 0.02 0.00 0.00 177.57 178.46 2kdc h LEU 57 N 0.38 -0.30 -0.81 2.57 5.85 0.10 0.93 115.31 124.04 2kdc h LEU 57 Ca -0.01 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.07 2kdc h LEU 57 Cb 1.17 0.31 -0.12 0.00 0.37 0.00 0.00 40.66 42.39 2kdc h LEU 57 CO 0.11 -0.14 0.24 0.25 -0.34 0.00 0.00 178.44 178.56 2kdc h LEU 58 N 0.12 0.08 0.02 2.25 5.85 -1.64 0.11 115.31 122.10 2kdc h LEU 58 Ca 0.37 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 59.17 2kdc h LEU 58 Cb 0.63 0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.86 2kdc h LEU 58 CO -0.60 -0.05 -0.33 0.40 -0.34 0.00 0.00 178.44 177.53 2kdc h ILE 59 N 0.29 1.56 -0.46 4.05 2.04 -0.35 -2.51 117.51 122.14 2kdc h ILE 59 Ca 0.48 -2.09 0.08 0.00 1.00 0.00 0.00 64.86 64.32 2kdc h ILE 59 Cb 0.86 2.90 -0.10 0.00 -0.74 0.00 0.00 36.82 39.74 2kdc h ILE 59 CO -0.54 0.58 -0.39 0.77 0.00 0.00 0.00 178.15 178.56 2kdc h SER 60 N -0.51 -1.31 0.55 1.72 4.64 0.18 1.52 113.55 120.33 2kdc h SER 60 Ca -0.05 0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 2kdc h SER 60 Cb 1.12 0.60 0.01 0.00 -0.31 0.00 0.00 62.40 63.81 2kdc h SER 60 CO 0.06 -0.34 -0.26 0.77 -0.87 0.00 0.00 176.83 176.19 2kdc h SER 61 N -0.27 -0.62 -0.99 4.97 4.64 -0.95 -0.20 113.55 120.14 2kdc h SER 61 Ca 0.17 -0.04 0.22 0.00 -0.47 0.00 0.00 61.79 61.67 2kdc h SER 61 Cb 0.57 0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 62.72 2kdc h SER 61 CO -0.60 -0.33 0.62 0.58 -0.87 0.00 0.00 176.83 176.24 2kdc h VAL 62 N -0.91 0.64 -0.25 0.95 2.07 -0.96 0.41 116.25 118.21 2kdc h VAL 62 Ca -0.07 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2kdc h VAL 62 Cb 0.62 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2kdc h VAL 62 CO 0.12 0.10 -0.15 -0.03 0.02 0.00 0.00 177.57 177.63 2kdc h MET 63 N 0.56 0.54 -0.05 1.57 -1.53 0.24 -2.22 114.93 114.04 2kdc h MET 63 Ca 0.56 -0.25 0.03 0.00 -3.44 0.00 0.00 59.70 56.59 2kdc h MET 63 Cb 1.15 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 32.16 2kdc h MET 63 CO -0.31 0.82 -0.14 -0.07 0.14 0.00 0.00 176.91 177.36 2kdc h LEU 64 N 0.26 -0.41 -1.61 3.39 3.38 0.94 -1.03 115.31 120.23 2kdc h LEU 64 Ca 0.05 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2kdc h LEU 64 Cb 0.67 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2kdc h LEU 64 CO 0.04 -0.19 -0.11 1.62 0.09 0.00 0.00 178.44 179.90 2kdc h VAL 65 N -0.20 1.13 -0.79 1.22 3.04 -1.39 -2.09 116.25 117.16 2kdc h VAL 65 Ca 0.07 -0.56 -0.04 0.00 -1.01 0.00 0.00 66.70 65.16 2kdc h VAL 65 Cb 0.29 1.19 -0.04 0.00 -2.01 0.00 0.00 31.29 30.73 2kdc h VAL 65 CO -0.17 0.17 0.34 0.00 -1.01 0.00 0.00 177.57 176.90 2kdc h MET 66 N 0.11 1.16 -1.00 4.17 -0.00 -0.57 0.35 114.93 119.14 2kdc h MET 66 Ca 0.02 -0.19 0.12 0.00 -0.00 0.00 0.00 59.70 59.66 2kdc h MET 66 Cb 0.27 -0.20 -0.08 0.00 -0.00 0.00 0.00 31.60 31.58 2kdc h MET 66 CO 0.02 0.92 0.63 0.82 -0.00 0.00 0.00 176.91 179.29 2kdc h ILE 67 N 1.14 0.91 0.06 -0.10 2.04 -0.56 0.19 117.51 121.19 2kdc h ILE 67 Ca 0.27 -0.33 -0.30 0.00 1.00 0.00 0.00 64.86 65.49 2kdc h ILE 67 Cb 0.17 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 2kdc h ILE 67 CO -0.03 0.18 -1.65 0.58 0.00 0.00 0.00 178.15 177.23 2kdc h VAL 68 N 0.97 0.97 0.00 1.67 2.07 -1.44 -3.32 116.25 117.17 2kdc h VAL 68 Ca 0.50 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2kdc h VAL 68 Cb 0.52 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2kdc h VAL 68 CO -0.26 0.71 0.00 -0.62 0.02 0.00 0.00 177.57 177.41 2kdc n GLU 69 N -3.28 0.00 -0.34 1.57 1.02 0.12 -3.79 120.64 115.93 2kdc n GLU 69 Ca -0.18 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.99 2kdc n GLU 69 Cb 1.04 -0.24 0.10 0.00 -0.02 0.00 0.00 31.44 32.31 2kdc n GLU 69 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2kdc n ILE 70 N -0.80 -0.42 -0.31 -3.67 5.41 0.55 0.26 119.36 120.38 2kdc n ILE 70 Ca 0.00 2.15 0.19 0.00 1.00 0.00 0.00 62.75 66.09 2kdc n ILE 70 Cb 0.00 -2.93 0.46 0.00 -0.71 0.00 0.00 39.64 36.46 2kdc n ILE 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2kdc h LEU 71 N 0.00 0.54 -0.03 1.39 5.85 -1.30 2.08 115.31 123.84 2kdc h LEU 71 Ca 0.41 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.20 2kdc h LEU 71 Cb 0.64 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2kdc h LEU 71 CO -0.95 0.16 0.00 -3.20 -0.34 0.00 0.00 178.44 174.11 2kdc n ASN 72 N -4.64 0.67 -0.08 1.25 2.85 0.73 -2.18 115.26 113.85 2kdc n ASN 72 Ca 0.23 0.57 -0.11 0.00 -0.11 0.00 0.00 54.58 55.16 2kdc n ASN 72 Cb 0.75 -0.75 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2kdc n ASN 72 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2kdc n SER 73 N -2.13 1.83 0.12 1.20 2.88 0.64 -3.55 113.62 114.59 2kdc n SER 73 Ca 0.06 0.56 -0.13 0.00 -1.33 0.00 0.00 58.87 58.02 2kdc n SER 73 Cb 0.41 -0.91 -0.08 0.00 -0.75 0.00 0.00 64.21 62.88 2kdc n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kdc h ALA 74 N -0.81 -0.22 -0.98 -1.46 0.00 0.39 1.44 119.26 117.63 2kdc h ALA 74 Ca -0.14 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 54.92 2kdc h ALA 74 Cb 0.82 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2kdc h ALA 74 CO -0.08 -0.60 0.62 0.97 0.00 0.00 0.00 179.25 180.15 2kdc h ILE 75 N -0.26 0.65 0.00 0.00 2.10 -1.61 0.43 117.51 118.82 2kdc h ILE 75 Ca -0.02 -0.18 -0.10 0.00 1.08 0.00 0.00 64.86 65.63 2kdc h ILE 75 Cb 0.20 0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 35.99 2kdc h ILE 75 CO 0.04 0.10 -0.94 -0.08 -1.08 0.00 0.00 178.15 176.18 2kdc h GLU 76 N 0.52 0.00 0.19 2.19 4.81 -1.41 -3.34 114.58 117.54 2kdc h GLU 76 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2kdc h GLU 76 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2kdc h GLU 76 CO -0.28 0.28 -0.17 0.00 -0.73 0.00 0.00 179.01 178.11 2kdc h ALA 77 N 1.60 -0.36 -0.73 2.92 0.00 0.66 0.96 119.26 124.31 2kdc h ALA 77 Ca -0.07 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2kdc h ALA 77 Cb 1.37 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 2kdc h ALA 77 CO 0.04 -0.72 0.50 -0.24 0.00 0.00 0.00 179.25 178.82 2kdc h VAL 78 N -0.39 0.76 0.00 0.00 3.04 -1.54 0.96 116.25 119.09 2kdc h VAL 78 Ca -0.00 -0.11 -0.08 0.00 -1.01 0.00 0.00 66.70 65.50 2kdc h VAL 78 Cb 0.36 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.04 2kdc h VAL 78 CO -0.03 0.06 -0.39 0.58 -1.01 0.00 0.00 177.57 176.77 2kdc h VAL 79 N 0.32 0.71 0.00 1.51 2.07 -1.22 -3.43 116.25 116.21 2kdc h VAL 79 Ca 0.36 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 66.00 2kdc h VAL 79 Cb 0.95 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2kdc h VAL 79 CO -0.10 0.38 0.00 0.47 0.02 0.00 0.00 177.57 178.35 2kdc n ASP 80 N -3.24 0.00 -0.07 0.57 8.00 0.33 -5.02 116.55 117.12 2kdc n ASP 80 Ca 0.02 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 2kdc n ASP 80 Cb 0.66 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2kdc n ASP 80 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kdc n ARG 81 N 0.00 0.43 0.00 -1.24 1.74 -1.08 -5.04 116.66 111.46 2kdc n ARG 81 Ca 0.00 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2kdc n ARG 81 Cb 0.00 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2kdc n ARG 81 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2kdc n ILE 82 N -4.24 0.00 0.00 0.55 -5.35 -1.24 -4.93 119.36 104.15 2kdc n ILE 82 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2kdc n ILE 82 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2kdc n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kdc n GLY 83 N 0.00 1.09 2.93 3.28 0.00 -1.26 -4.65 105.19 106.58 2kdc n GLY 83 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.77 0.15 -0.18 1.61 0.15 -1.26 -5.02 113.70 107.37 2kdc s SER 84 Ca 0.00 -1.13 -0.10 0.00 0.70 0.00 0.00 55.95 55.42 2kdc s SER 84 Cb 0.00 1.11 -0.21 0.00 -1.71 0.00 0.00 66.02 65.21 2kdc s SER 84 CO 0.00 -0.25 0.15 -1.84 1.20 0.00 0.00 173.24 172.50 2kdc n GLU 85 N 4.48 0.67 0.08 5.44 0.28 -1.26 -4.32 120.64 126.01 2kdc n GLU 85 Ca 0.09 0.33 0.01 0.00 -0.16 0.00 0.00 57.16 57.44 2kdc n GLU 85 Cb 0.50 -1.67 -0.04 0.00 1.43 0.00 0.00 31.44 31.66 2kdc n GLU 85 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2kdc h TYR 86 N -0.36 0.00 0.47 -1.84 0.05 -2.07 -3.38 116.97 109.85 2kdc h TYR 86 Ca -0.46 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.30 2kdc h TYR 86 Cb 1.76 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.49 2kdc h TYR 86 CO 0.06 0.53 -0.40 0.45 -1.05 0.00 0.00 178.16 177.75 2kdc h HIS 87 N 0.00 -1.10 0.00 4.88 3.86 -1.96 -3.40 115.15 117.43 2kdc h HIS 87 Ca -0.09 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.74 2kdc h HIS 87 Cb 1.49 0.42 -0.11 0.00 1.06 0.00 0.00 27.41 30.26 2kdc h HIS 87 CO 0.00 -0.55 1.96 0.39 0.86 0.00 0.00 177.93 180.58 2kdc n GLU 88 N -4.86 0.00 0.03 2.45 1.02 -1.26 -3.49 120.64 114.53 2kdc n GLU 88 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2kdc n GLU 88 Cb 0.38 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2kdc n GLU 88 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2kdc n LEU 89 N 6.41 -0.62 -0.66 -4.62 -0.00 -1.26 -4.94 117.00 111.31 2kdc n LEU 89 Ca 0.67 0.24 0.00 0.00 -0.00 0.00 0.00 56.01 56.91 2kdc n LEU 89 Cb 0.12 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.34 2kdc n LEU 89 CO 1.05 -0.08 0.15 -0.24 -0.00 0.00 0.00 177.39 178.27 2kdc n SER 90 N -2.55 0.77 -1.10 1.96 2.88 -1.23 -4.93 113.62 109.43 2kdc n SER 90 Ca 0.00 -0.93 0.12 0.00 -1.33 0.00 0.00 58.87 56.73 2kdc n SER 90 Cb 0.00 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.18 2kdc n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kdc n GLY 91 N 0.43 -1.65 0.12 0.46 0.00 -1.26 -3.74 105.19 99.55 2kdc n GLY 91 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.21 0.00 0.12 1.61 0.11 -2.00 -3.28 114.38 109.72 2kdc h ARG 92 Ca -0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2kdc h ARG 92 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2kdc h ARG 92 CO 0.03 0.00 -0.06 0.00 0.10 0.00 0.00 179.97 180.04 2kdc h ALA 93 N 2.03 -0.16 0.00 0.08 0.00 -2.01 -3.07 119.26 116.13 2kdc h ALA 93 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2kdc h ALA 93 Cb 0.98 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kdc h ALA 93 CO 0.00 -0.45 -0.39 -0.22 0.00 0.00 0.00 179.25 178.19 2kdc h LYS 94 N -0.44 0.00 -1.13 0.00 3.64 -1.72 -3.06 116.57 113.86 2kdc h LYS 94 Ca -0.02 0.00 0.32 0.00 -1.27 0.00 0.00 60.65 59.68 2kdc h LYS 94 Cb 0.36 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 2kdc h LYS 94 CO 0.03 0.39 0.75 -0.44 -2.27 0.00 0.00 179.45 177.91 2kdc h ASP 95 N 0.00 0.32 0.06 4.20 5.19 -1.59 1.20 116.42 125.80 2kdc h ASP 95 Ca -0.00 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 2kdc h ASP 95 Cb 0.70 0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.25 2kdc h ASP 95 CO 0.05 0.02 -0.45 0.24 -3.12 0.00 0.00 179.24 175.97 2kdc h MET 96 N 0.26 0.20 -0.43 3.56 2.86 -1.63 -3.29 114.93 116.46 2kdc h MET 96 Ca 0.64 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2kdc h MET 96 Cb 1.88 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.62 2kdc h MET 96 CO -0.27 1.10 0.04 0.78 1.06 0.00 0.00 176.91 179.63 2kdc h GLY 97 N -0.55 0.72 1.08 8.32 0.00 -1.07 -1.96 103.07 109.61 2kdc h GLY 97 Ca -0.07 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 46.94 2kdc h GLY 97 CO 0.09 0.40 0.36 1.48 0.00 0.00 0.00 176.54 178.86 2kdc h SER 98 N 0.64 0.00 0.00 0.19 4.64 0.13 1.55 113.55 120.70 2kdc h SER 98 Ca 0.14 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 2kdc h SER 98 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 2kdc h SER 98 CO 0.01 0.00 -1.19 0.00 -0.87 0.00 0.00 176.83 174.78 2kdc h ALA 99 N 1.64 0.24 0.00 5.18 0.00 -1.45 -3.36 119.26 121.51 2kdc h ALA 99 Ca 0.18 -1.14 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 2kdc h ALA 99 Cb 0.89 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2kdc h ALA 99 CO -0.00 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 2kdc h ALA 100 N -0.56 1.08 0.26 0.00 0.00 -0.83 -2.78 119.26 116.44 2kdc h ALA 100 Ca -0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2kdc h ALA 100 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kdc h ALA 100 CO -0.19 0.09 -0.12 0.28 0.00 0.00 0.00 179.25 179.30 2kdc h VAL 101 N 0.00 0.00 -0.55 0.00 2.07 0.20 0.65 116.25 118.63 2kdc h VAL 101 Ca -0.00 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2kdc h VAL 101 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2kdc h VAL 101 CO 0.01 0.00 0.18 0.25 0.02 0.00 0.00 177.57 178.03 2kdc h LEU 102 N -0.50 0.16 -1.87 2.57 5.85 -1.70 0.38 115.31 120.20 2kdc h LEU 102 Ca -0.04 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kdc h LEU 102 Cb 0.27 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2kdc h LEU 102 CO 0.06 0.11 -0.01 0.40 -0.34 0.00 0.00 178.44 178.66 2kdc h ILE 103 N 0.35 0.03 -0.74 4.05 5.03 -1.56 -3.13 117.51 121.54 2kdc h ILE 103 Ca 0.27 -0.39 0.15 0.00 -0.12 0.00 0.00 64.86 64.77 2kdc h ILE 103 Cb 0.33 1.38 -0.14 0.00 -3.03 0.00 0.00 36.82 35.36 2kdc h ILE 103 CO -0.29 0.01 -0.16 0.00 -0.68 0.00 0.00 178.15 177.03 2kdc h ALA 104 N 1.99 0.53 -0.68 1.87 0.00 0.48 0.44 119.26 123.90 2kdc h ALA 104 Ca -0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2kdc h ALA 104 Cb 0.38 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2kdc h ALA 104 CO 0.00 -0.42 0.35 0.82 0.00 0.00 0.00 179.25 180.00 2kdc h ILE 105 N 0.01 1.22 0.00 0.00 2.04 -1.64 -1.83 117.51 117.31 2kdc h ILE 105 Ca 0.36 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2kdc h ILE 105 Cb 0.57 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2kdc h ILE 105 CO -0.75 0.25 -0.16 0.40 0.00 0.00 0.00 178.15 177.89 2kdc h ILE 106 N 0.93 1.11 0.00 -0.67 1.08 -0.48 -3.06 117.51 116.43 2kdc h ILE 106 Ca 0.24 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2kdc h ILE 106 Cb 0.08 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2kdc h ILE 106 CO -0.03 0.16 0.00 0.52 -0.69 0.00 0.00 178.15 178.11 2kdc n VAL 107 N -4.34 0.00 -0.09 1.67 0.31 0.10 -1.21 118.33 114.77 2kdc n VAL 107 Ca -0.02 0.98 0.19 0.00 -0.01 0.00 0.00 64.34 65.47 2kdc n VAL 107 Cb 0.23 -1.86 0.29 0.00 -0.91 0.00 0.00 33.84 31.59 2kdc n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kdc n ALA 108 N -1.55 0.67 -1.50 3.52 0.00 -0.99 0.68 120.51 121.34 2kdc n ALA 108 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2kdc n ALA 108 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.77 0.00 -0.40 0.00 0.31 -1.16 -3.90 118.33 110.41 2kdc n VAL 109 Ca 0.16 0.00 0.32 0.00 -0.01 0.00 0.00 64.34 64.81 2kdc n VAL 109 Cb 1.20 -0.40 0.61 0.00 -0.91 0.00 0.00 33.84 34.34 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 0.29 0.34 2.52 2.04 -0.92 0.15 117.51 121.93 2kdc h ILE 110 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2kdc h ILE 110 Cb 0.00 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2kdc h ILE 110 CO 0.00 0.03 -0.18 0.74 0.00 0.00 0.00 178.15 178.75 2kdc h THR 111 N 0.19 0.64 -0.20 -0.27 2.02 0.13 -1.74 112.91 113.67 2kdc h THR 111 Ca 0.72 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.96 2kdc h THR 111 Cb 2.19 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2kdc h THR 111 CO -0.33 0.00 0.17 -0.25 0.37 0.00 0.00 175.52 175.48 2kdc h TRP 112 N -0.48 0.00 0.62 3.16 2.91 -0.82 -0.61 115.95 120.75 2kdc h TRP 112 Ca -0.04 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2kdc h TRP 112 Cb 0.37 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.03 2kdc h TRP 112 CO -0.06 0.00 -0.30 0.00 -1.03 0.00 0.00 178.44 177.05 2kdc h ILE 114 N -1.03 1.24 -0.78 0.00 6.09 -1.06 0.36 117.51 122.33 2kdc h ILE 114 Ca -0.09 -0.82 0.08 0.00 -1.37 0.00 0.00 64.86 62.66 2kdc h ILE 114 Cb 0.69 1.38 -0.05 0.00 0.47 0.00 0.00 36.82 39.30 2kdc h ILE 114 CO 0.14 0.25 0.51 -0.07 -3.07 0.00 0.00 178.15 175.92 2kdc h LEU 115 N 0.14 0.70 -0.02 2.19 4.07 -1.17 0.92 115.31 122.13 2kdc h LEU 115 Ca 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 2kdc h LEU 115 Cb 0.36 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2kdc h LEU 115 CO 0.01 0.43 -0.06 0.25 -1.08 0.00 0.00 178.44 177.99 2kdc h LEU 116 N 0.78 0.09 -1.25 1.67 5.85 -0.30 -3.07 115.31 119.09 2kdc h LEU 116 Ca 0.35 -0.60 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 2kdc h LEU 116 Cb 0.34 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2kdc h LEU 116 CO -0.13 0.67 -0.00 -0.50 -0.34 0.00 0.00 178.44 178.14 2kdc h TRP 117 N -0.49 0.52 -0.77 1.25 4.06 0.46 -2.37 115.95 118.62 2kdc h TRP 117 Ca -0.00 -0.05 0.03 0.00 2.06 0.00 0.00 58.89 60.92 2kdc h TRP 117 Cb 0.66 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 2kdc h TRP 117 CO 0.13 0.52 0.51 1.03 -3.56 0.00 0.00 178.44 177.07 2kdc h SER 118 N 0.49 0.84 -0.40 -3.49 0.87 0.84 -2.26 113.55 110.43 2kdc h SER 118 Ca 0.10 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2kdc h SER 118 Cb 0.32 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kdc h SER 118 CO 0.01 0.59 0.08 0.45 -0.53 0.00 0.00 176.83 177.43 2kdc h HIS 119 N 0.98 0.69 0.00 2.24 3.86 -1.32 -3.44 115.15 118.15 2kdc h HIS 119 Ca 0.30 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2kdc h HIS 119 Cb -0.01 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2kdc h HIS 119 CO -0.00 0.67 0.00 0.34 0.86 0.00 0.00 177.93 179.80 2kdc n PHE 120 N -4.54 0.00 1.68 2.45 7.35 -0.85 -5.15 117.46 118.41 2kdc n PHE 120 Ca -0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 2kdc n PHE 120 Cb 0.22 0.00 0.80 0.00 0.35 0.00 0.00 39.48 40.85 2kdc n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41