#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 -0.67 -2.42 0.00 2.85 -1.26 -5.14 115.26 108.62 2kdc n ASN 2 Ca 0.00 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2kdc n ASN 2 Cb 0.00 1.01 0.00 0.00 1.24 0.00 0.00 39.78 42.03 2kdc n ASN 2 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2kdc n ASN 3 N -2.62 -0.19 -2.73 1.20 4.13 -1.26 -5.07 115.26 108.71 2kdc n ASN 3 Ca 0.00 -0.62 -0.08 0.00 1.68 0.00 0.00 54.58 55.56 2kdc n ASN 3 Cb 0.00 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 2kdc n ASN 3 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2kdc n THR 4 N -1.57 0.00 0.10 3.41 5.66 -1.26 -4.94 114.28 115.67 2kdc n THR 4 Ca 0.00 -1.42 -0.21 0.00 -3.05 0.00 0.00 64.05 59.37 2kdc n THR 4 Cb 0.00 1.46 -0.12 0.00 -1.55 0.00 0.00 70.33 70.11 2kdc n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kdc h THR 5 N 2.80 1.32 0.00 1.09 1.03 -2.05 -3.44 112.91 113.65 2kdc h THR 5 Ca -0.14 -2.55 0.00 0.00 -0.01 0.00 0.00 66.41 63.71 2kdc h THR 5 Cb 1.08 2.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.88 2kdc h THR 5 CO 0.20 0.77 0.00 0.61 -0.01 0.00 0.00 175.52 177.09 2kdc n GLY 6 N 1.38 0.49 0.25 2.99 0.00 -1.26 -4.97 105.19 104.08 2kdc n GLY 6 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.38 -0.79 1.61 0.04 -1.92 -2.41 116.94 113.85 2kdc h PHE 7 Ca 0.00 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.76 2kdc h PHE 7 Cb 0.49 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 2kdc h PHE 7 CO -0.06 0.46 0.52 1.79 -0.60 0.00 0.00 178.31 180.42 2kdc h THR 8 N 0.34 1.13 -0.94 -1.55 1.35 -1.93 -1.28 112.91 110.03 2kdc h THR 8 Ca 0.07 -0.33 0.06 0.00 -0.55 0.00 0.00 66.41 65.66 2kdc h THR 8 Cb 0.39 0.07 -0.06 0.00 -1.73 0.00 0.00 68.15 66.81 2kdc h THR 8 CO 0.02 0.18 0.61 0.03 -0.25 0.00 0.00 175.52 176.11 2kdc h ARG 9 N 0.97 1.06 -0.09 4.72 2.47 -1.84 0.51 114.38 122.20 2kdc h ARG 9 Ca 0.32 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 2kdc h ARG 9 Cb 0.04 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.12 2kdc h ARG 9 CO -0.09 0.70 -0.04 0.82 0.56 0.00 0.00 179.97 181.92 2kdc h ILE 10 N 1.10 1.32 -0.08 2.04 2.04 -1.31 0.57 117.51 123.18 2kdc h ILE 10 Ca 0.40 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 2kdc h ILE 10 Cb 0.17 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2kdc h ILE 10 CO -0.15 0.29 0.04 0.40 0.00 0.00 0.00 178.15 178.73 2kdc h ILE 11 N -0.19 1.10 -0.52 -0.67 2.04 -0.85 -1.47 117.51 116.95 2kdc h ILE 11 Ca 0.02 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 2kdc h ILE 11 Cb 0.48 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2kdc h ILE 11 CO 0.01 0.08 -0.02 0.50 0.00 0.00 0.00 178.15 178.73 2kdc h LYS 12 N 0.03 0.89 -0.07 2.37 3.64 -0.01 -2.40 116.57 121.02 2kdc h LYS 12 Ca 0.03 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2kdc h LYS 12 Cb 0.09 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kdc h LYS 12 CO -0.00 0.89 0.01 0.00 -2.27 0.00 0.00 179.45 178.08 2kdc h ALA 13 N 1.16 1.89 0.00 5.00 0.00 0.46 0.18 119.26 127.95 2kdc h ALA 13 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kdc h ALA 13 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kdc h ALA 13 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2kdc n ALA 14 N -2.52 2.26 1.81 0.00 0.00 -0.58 -3.12 120.51 118.35 2kdc n ALA 14 Ca -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2kdc n ALA 14 Cb 0.12 -1.47 0.70 0.00 0.00 0.00 0.00 19.45 18.80 2kdc n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kdc n GLY 15 N 1.26 -0.90 0.16 0.00 0.00 0.05 -2.99 105.19 102.76 2kdc n GLY 15 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2kdc n GLY 15 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2kdc h TYR 16 N 0.00 0.00 -0.45 1.61 -1.99 -1.64 -3.27 116.97 111.23 2kdc h TYR 16 Ca 0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 2kdc h TYR 16 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 2kdc h TYR 16 CO 0.00 0.23 0.33 1.03 -0.00 0.00 0.00 178.16 179.75 2kdc h SER 17 N 0.00 0.00 -0.99 3.88 0.87 -1.78 -0.62 113.55 114.91 2kdc h SER 17 Ca -0.02 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.72 2kdc h SER 17 Cb 1.19 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.06 2kdc h SER 17 CO 0.03 0.00 0.61 -0.50 -0.53 0.00 0.00 176.83 176.44 2kdc h TRP 18 N 0.00 0.98 -0.84 2.24 4.06 -1.81 0.11 115.95 120.68 2kdc h TRP 18 Ca 0.21 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.25 2kdc h TRP 18 Cb 0.87 -0.30 -0.06 0.00 -1.00 0.00 0.00 29.16 28.68 2kdc h TRP 18 CO 0.00 0.26 0.53 0.87 -3.56 0.00 0.00 178.44 176.53 2kdc h LYS 19 N 0.74 0.96 0.00 0.49 1.57 -1.36 -0.82 116.57 118.15 2kdc h LYS 19 Ca 0.54 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.18 2kdc h LYS 19 Cb 0.88 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2kdc h LYS 19 CO -0.32 0.64 -0.43 0.78 -0.57 0.00 0.00 179.45 179.55 2kdc h GLY 20 N 0.99 0.00 0.95 3.86 0.00 -0.95 -3.17 103.07 104.74 2kdc h GLY 20 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2kdc h GLY 20 CO -0.15 0.00 0.02 -2.00 0.00 0.00 0.00 176.54 174.41 2kdc h LEU 21 N 0.00 0.05 -1.27 3.11 7.12 -0.00 -0.59 115.31 123.72 2kdc h LEU 21 Ca -0.00 -0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.04 2kdc h LEU 21 Cb 0.93 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.00 2kdc h LEU 21 CO 0.06 0.09 0.54 0.03 -0.13 0.00 0.00 178.44 179.03 2kdc h ARG 22 N -0.00 0.80 0.00 1.25 3.08 -1.44 0.48 114.38 118.55 2kdc h ARG 22 Ca 0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2kdc h ARG 22 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2kdc h ARG 22 CO -0.00 0.53 -0.47 0.00 -1.07 0.00 0.00 179.97 178.96 2kdc h ALA 23 N 1.57 1.00 -0.84 0.04 0.00 -1.45 -3.05 119.26 116.53 2kdc h ALA 23 Ca 0.38 -0.43 0.24 0.00 0.00 0.00 0.00 54.91 55.10 2kdc h ALA 23 Cb 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2kdc h ALA 23 CO -0.15 0.59 0.60 0.00 0.00 0.00 0.00 179.25 180.28 2kdc h ALA 24 N 1.53 2.71 -0.78 0.00 0.00 0.71 -0.47 119.26 122.96 2kdc h ALA 24 Ca -0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2kdc h ALA 24 Cb 0.97 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 2kdc h ALA 24 CO 0.06 -0.95 0.17 2.35 0.00 0.00 0.00 179.25 180.88 2kdc h TRP 25 N 0.06 0.25 0.00 0.00 7.01 -1.59 1.40 115.95 123.07 2kdc h TRP 25 Ca 0.41 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.45 2kdc h TRP 25 Cb 1.53 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.60 2kdc h TRP 25 CO -0.00 -0.14 0.00 0.82 -2.79 0.00 0.00 178.44 176.33 2kdc h ILE 26 N 0.23 0.00 -1.23 2.65 2.04 -1.32 0.13 117.51 120.01 2kdc h ILE 26 Ca 0.45 -0.02 -0.66 0.00 1.00 0.00 0.00 64.86 65.63 2kdc h ILE 26 Cb 0.81 0.70 -0.33 0.00 -0.74 0.00 0.00 36.82 37.25 2kdc h ILE 26 CO -0.57 0.00 0.36 0.59 0.00 0.00 0.00 178.15 178.54 2kdc n ASN 27 N -2.55 6.72 0.00 1.72 4.13 0.48 -4.50 115.26 121.26 2kdc n ASN 27 Ca -0.02 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.46 2kdc n ASN 27 Cb 0.06 -0.80 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 2kdc n ASN 27 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2kdc n GLU 28 N -0.74 0.00 0.00 3.52 0.28 -0.66 -4.93 120.64 118.12 2kdc n GLU 28 Ca 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 2kdc n GLU 28 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 2kdc n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kdc n ALA 29 N 0.00 1.50 -0.59 -1.84 0.00 -0.89 -3.55 120.51 115.14 2kdc n ALA 29 Ca 0.00 -0.00 0.48 0.00 0.00 0.00 0.00 53.44 53.92 2kdc n ALA 29 Cb 0.00 -1.00 0.75 0.00 0.00 0.00 0.00 19.45 19.20 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 1.73 3.67 0.06 0.00 0.00 -1.01 1.54 119.26 125.24 2kdc h ALA 30 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 2kdc h ALA 30 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kdc h ALA 30 CO 0.00 -2.27 -1.50 0.35 0.00 0.00 0.00 179.25 175.84 2kdc h PHE 31 N 0.00 0.22 0.00 0.00 3.04 -1.86 -3.35 116.94 114.99 2kdc h PHE 31 Ca 0.83 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 62.61 2kdc h PHE 31 Cb 3.55 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 42.05 2kdc h PHE 31 CO 0.00 1.59 -0.07 -0.09 -2.02 0.00 0.00 178.31 177.72 2kdc h ARG 32 N -0.56 0.00 0.81 1.11 2.43 0.06 -3.05 114.38 115.18 2kdc h ARG 32 Ca -0.36 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 2kdc h ARG 32 Cb 1.60 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.16 2kdc h ARG 32 CO -0.07 0.07 -0.39 0.37 -1.51 0.00 0.00 179.97 178.44 2kdc h GLN 33 N 0.00 -1.05 -0.32 0.20 5.75 0.17 0.90 115.11 120.77 2kdc h GLN 33 Ca -0.00 0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.66 2kdc h GLN 33 Cb 0.35 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 2kdc h GLN 33 CO 0.01 -0.70 0.72 1.05 -2.65 0.00 0.00 178.83 177.26 2kdc h GLU 34 N -1.08 0.00 0.00 1.69 4.11 -1.67 -1.45 114.58 116.17 2kdc h GLU 34 Ca -0.11 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.17 2kdc h GLU 34 Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2kdc h GLU 34 CO 0.18 0.00 -1.18 0.41 0.07 0.00 0.00 179.01 178.49 2kdc n GLY 35 N -1.46 -0.76 0.43 1.06 0.00 -0.72 -4.05 105.19 99.69 2kdc n GLY 35 Ca 0.06 -0.11 0.24 0.00 0.00 0.00 0.00 46.02 46.22 2kdc n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kdc h VAL 36 N -1.00 0.54 0.52 1.61 3.04 0.17 -1.87 116.25 119.26 2kdc h VAL 36 Ca -0.23 -0.10 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 2kdc h VAL 36 Cb 1.03 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2kdc h VAL 36 CO -0.14 0.05 -0.26 0.00 -1.01 0.00 0.00 177.57 176.22 2kdc h ALA 37 N 1.58 -1.18 0.00 3.17 0.00 -1.50 -2.22 119.26 119.11 2kdc h ALA 37 Ca 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2kdc h ALA 37 Cb 1.57 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2kdc h ALA 37 CO -0.19 -1.13 0.87 1.55 0.00 0.00 0.00 179.25 180.34 2kdc n VAL 38 N -3.94 0.00 -0.08 0.00 3.14 -0.71 0.18 118.33 116.91 2kdc n VAL 38 Ca -0.09 0.87 -0.13 0.00 -2.96 0.00 0.00 64.34 62.03 2kdc n VAL 38 Cb 0.28 -1.82 -0.07 0.00 -1.06 0.00 0.00 33.84 31.17 2kdc n VAL 38 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2kdc h LEU 39 N 0.00 0.00 -0.88 6.55 6.46 -1.39 -3.16 115.31 122.89 2kdc h LEU 39 Ca 0.00 -0.34 -0.08 0.00 -0.12 0.00 0.00 57.88 57.33 2kdc h LEU 39 Cb 1.74 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.65 2kdc h LEU 39 CO 0.00 1.08 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.75 2kdc h LEU 40 N -1.00 0.73 -1.54 2.25 -0.00 0.24 -0.23 115.31 115.75 2kdc h LEU 40 Ca -0.15 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.49 2kdc h LEU 40 Cb 0.86 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 2kdc h LEU 40 CO -0.09 0.85 -0.17 0.00 -0.00 0.00 0.00 178.44 179.02 2kdc h ALA 41 N 1.23 1.14 0.10 1.53 0.00 0.55 -2.96 119.26 120.85 2kdc h ALA 41 Ca 0.12 -0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 2kdc h ALA 41 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2kdc h ALA 41 CO 0.03 0.21 -1.89 0.28 0.00 0.00 0.00 179.25 177.89 2kdc h VAL 42 N 0.00 0.73 -0.33 0.00 2.07 -1.38 -2.99 116.25 114.35 2kdc h VAL 42 Ca -0.00 -2.46 0.04 0.00 0.82 0.00 0.00 66.70 65.10 2kdc h VAL 42 Cb 0.54 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 2kdc h VAL 42 CO 0.02 0.81 0.09 0.58 0.02 0.00 0.00 177.57 179.09 2kdc h VAL 43 N 0.06 0.88 -0.05 2.57 2.07 -0.95 1.08 116.25 121.91 2kdc h VAL 43 Ca -0.38 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 2kdc h VAL 43 Cb 2.04 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2kdc h VAL 43 CO 0.10 0.04 -0.22 -0.29 0.02 0.00 0.00 177.57 177.22 2kdc h ILE 44 N 0.22 1.45 -0.92 4.57 6.09 -1.70 -2.21 117.51 125.02 2kdc h ILE 44 Ca 0.15 -1.66 0.00 0.00 -1.37 0.00 0.00 64.86 61.98 2kdc h ILE 44 Cb 0.14 2.39 -0.04 0.00 0.47 0.00 0.00 36.82 39.78 2kdc h ILE 44 CO -0.17 0.46 0.58 0.00 -3.07 0.00 0.00 178.15 175.95 2kdc h ALA 45 N 0.41 1.28 0.12 0.18 0.00 -1.36 0.13 119.26 120.02 2kdc h ALA 45 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kdc h ALA 45 Cb 0.87 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kdc h ALA 45 CO 0.04 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.87 2kdc h TRP 47 N -0.37 -0.61 -2.43 0.00 2.91 -1.11 -3.43 115.95 110.91 2kdc h TRP 47 Ca -0.02 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 2kdc h TRP 47 Cb 0.31 0.24 0.01 0.00 -0.51 0.00 0.00 29.16 29.21 2kdc h TRP 47 CO -0.00 -0.33 0.02 1.28 -1.03 0.00 0.00 178.44 178.38 2kdc n LEU 48 N -5.35 0.00 0.00 0.65 4.32 0.01 -5.09 117.00 111.53 2kdc n LEU 48 Ca -0.08 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2kdc n LEU 48 Cb 0.26 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 2kdc n LEU 48 CO 0.28 -0.56 0.00 -0.90 -1.22 0.00 0.00 177.39 174.99 2kdc n ASP 49 N -3.04 0.00 -3.57 -1.43 5.75 -1.26 -4.81 116.55 108.19 2kdc n ASP 49 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.62 2kdc n ASP 49 Cb 0.04 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.06 2kdc n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kdc s VAL 50 N 0.00 0.01 0.82 2.12 0.11 -1.26 -4.58 120.40 117.61 2kdc s VAL 50 Ca 0.00 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2kdc s VAL 50 Cb 0.00 -0.93 0.15 0.00 -1.53 0.00 0.00 36.38 34.07 2kdc s VAL 50 CO 0.00 -0.04 1.13 1.51 -3.33 0.00 0.00 175.10 174.37 2kdc s ASP 51 N -1.09 3.88 0.00 3.54 1.47 -1.26 -5.11 116.67 118.10 2kdc s ASP 51 Ca -0.11 -0.02 0.00 0.00 1.18 0.00 0.00 52.55 53.61 2kdc s ASP 51 Cb -0.01 -0.25 0.00 0.00 -0.34 0.00 0.00 42.92 42.32 2kdc s ASP 51 CO 0.08 -2.20 0.00 0.00 0.68 0.00 0.00 175.17 173.73 2kdc n ALA 52 N -3.23 0.00 -0.07 2.11 0.00 -1.26 -5.01 120.51 113.06 2kdc n ALA 52 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 2kdc n ALA 52 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 2kdc n ALA 52 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2kdc n ILE 53 N 0.00 1.24 -0.29 0.00 0.00 -1.26 -4.32 119.36 114.72 2kdc n ILE 53 Ca 0.00 -0.79 0.29 0.00 0.00 0.00 0.00 62.75 62.24 2kdc n ILE 53 Cb 0.00 -0.51 0.53 0.00 0.00 0.00 0.00 39.64 39.66 2kdc n ILE 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2kdc n THR 54 N -2.74 -0.38 0.12 9.51 -2.24 -1.26 0.20 114.28 117.48 2kdc n THR 54 Ca -0.25 1.85 -0.23 0.00 -2.27 0.00 0.00 64.05 63.15 2kdc n THR 54 Cb 1.05 -3.01 -0.15 0.00 -2.10 0.00 0.00 70.33 66.13 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 0.56 -0.64 -0.78 2.43 -1.97 -3.29 114.38 110.69 2kdc h ARG 55 Ca 0.77 -0.85 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2kdc h ARG 55 Cb 2.03 0.30 -0.03 0.00 -0.42 0.00 0.00 29.97 31.85 2kdc h ARG 55 CO -0.71 1.40 0.31 0.28 -1.51 0.00 0.00 179.97 179.75 2kdc h VAL 56 N 0.15 1.20 -0.47 0.20 2.07 0.20 -2.79 116.25 116.82 2kdc h VAL 56 Ca -0.22 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 66.83 2kdc h VAL 56 Cb 2.01 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 32.06 2kdc h VAL 56 CO 0.25 0.24 -0.27 0.25 0.02 0.00 0.00 177.57 178.06 2kdc h LEU 57 N 0.90 -0.91 -0.40 2.57 7.12 0.26 1.06 115.31 125.90 2kdc h LEU 57 Ca 0.22 0.19 0.09 0.00 0.13 0.00 0.00 57.88 58.51 2kdc h LEU 57 Cb 0.08 0.46 -0.09 0.00 -0.53 0.00 0.00 40.66 40.59 2kdc h LEU 57 CO -0.03 -0.28 -0.21 0.25 -0.13 0.00 0.00 178.44 178.04 2kdc h LEU 58 N -0.17 -0.72 -2.22 2.25 5.85 -1.62 0.96 115.31 119.65 2kdc h LEU 58 Ca 0.21 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2kdc h LEU 58 Cb 0.50 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2kdc h LEU 58 CO -0.57 -0.24 -0.05 0.40 -0.34 0.00 0.00 178.44 177.64 2kdc h ILE 59 N -0.14 0.61 0.04 4.05 1.08 -0.67 0.80 117.51 123.28 2kdc h ILE 59 Ca 0.20 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2kdc h ILE 59 Cb 0.44 1.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2kdc h ILE 59 CO -0.49 0.05 -0.02 -1.28 -0.69 0.00 0.00 178.15 175.72 2kdc h SER 60 N 0.00 -0.05 0.78 1.72 0.87 0.78 -2.73 113.55 114.92 2kdc h SER 60 Ca -0.00 -0.63 -0.04 0.00 -1.23 0.00 0.00 61.79 59.89 2kdc h SER 60 Cb 0.13 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2kdc h SER 60 CO 0.01 0.69 -0.37 0.28 -0.53 0.00 0.00 176.83 176.90 2kdc h SER 61 N -0.87 -0.88 -0.98 6.23 0.02 0.78 -2.98 113.55 114.87 2kdc h SER 61 Ca -0.01 0.02 0.24 0.00 -0.84 0.00 0.00 61.79 61.20 2kdc h SER 61 Cb 0.68 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.37 2kdc h SER 61 CO 0.01 -0.52 0.64 1.62 -1.14 0.00 0.00 176.83 177.44 2kdc h VAL 62 N -1.25 0.60 -0.94 2.27 3.04 -1.02 0.32 116.25 119.26 2kdc h VAL 62 Ca -0.11 -0.14 0.04 0.00 -1.01 0.00 0.00 66.70 65.49 2kdc h VAL 62 Cb 0.81 0.16 -0.06 0.00 -2.01 0.00 0.00 31.29 30.20 2kdc h VAL 62 CO 0.18 0.07 0.62 0.24 -1.01 0.00 0.00 177.57 177.67 2kdc h MET 63 N 0.40 1.13 -0.43 4.17 2.86 -1.34 0.46 114.93 122.19 2kdc h MET 63 Ca 0.53 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 58.00 2kdc h MET 63 Cb 1.35 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2kdc h MET 63 CO -0.23 0.75 -0.17 -0.07 1.06 0.00 0.00 176.91 178.25 2kdc h LEU 64 N 1.17 0.82 -0.67 1.22 4.07 -0.24 -2.13 115.31 119.55 2kdc h LEU 64 Ca 0.38 -0.28 -0.12 0.00 0.08 0.00 0.00 57.88 57.94 2kdc h LEU 64 Cb 0.04 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 2kdc h LEU 64 CO -0.12 0.99 -0.29 0.58 -1.08 0.00 0.00 178.44 178.51 2kdc h VAL 65 N 0.72 1.28 0.20 1.22 2.07 -0.62 -3.28 116.25 117.84 2kdc h VAL 65 Ca 0.11 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2kdc h VAL 65 Cb 0.68 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2kdc h VAL 65 CO 0.05 0.46 -0.10 0.24 0.02 0.00 0.00 177.57 178.25 2kdc h MET 66 N 0.61 -0.26 -0.59 1.57 2.86 0.12 -1.54 114.93 117.70 2kdc h MET 66 Ca 0.07 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.90 2kdc h MET 66 Cb 0.80 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 2kdc h MET 66 CO 0.07 0.06 0.89 -0.84 1.06 0.00 0.00 176.91 178.15 2kdc h ILE 67 N -0.60 0.09 0.04 -1.22 3.07 -1.45 2.58 117.51 120.02 2kdc h ILE 67 Ca -0.03 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.06 2kdc h ILE 67 Cb 0.44 0.24 -0.04 0.00 -0.27 0.00 0.00 36.82 37.18 2kdc h ILE 67 CO 0.05 0.00 -1.84 0.52 -1.05 0.00 0.00 178.15 175.82 2kdc n VAL 68 N -3.19 1.65 -0.11 0.16 0.31 -1.03 -3.60 118.33 112.52 2kdc n VAL 68 Ca 0.13 -0.75 -0.22 0.00 -0.01 0.00 0.00 64.34 63.48 2kdc n VAL 68 Cb 1.09 -1.24 -0.09 0.00 -0.91 0.00 0.00 33.84 32.69 2kdc n VAL 68 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kdc n GLU 69 N -3.17 0.56 0.10 5.55 4.07 0.71 -3.78 120.64 124.69 2kdc n GLU 69 Ca -0.23 0.42 -0.13 0.00 -0.06 0.00 0.00 57.16 57.16 2kdc n GLU 69 Cb 1.05 -1.62 -0.08 0.00 -0.06 0.00 0.00 31.44 30.73 2kdc n GLU 69 CO 0.00 0.00 0.00 0.97 -0.06 0.00 0.00 177.13 178.04 2kdc h ILE 70 N -1.00 0.87 -0.82 6.31 2.10 0.29 -2.42 117.51 122.84 2kdc h ILE 70 Ca -0.43 -0.72 0.15 0.00 1.08 0.00 0.00 64.86 64.94 2kdc h ILE 70 Cb 1.32 1.28 -0.06 0.00 -1.09 0.00 0.00 36.82 38.27 2kdc h ILE 70 CO -0.26 0.16 0.54 0.25 -1.08 0.00 0.00 178.15 177.76 2kdc h LEU 71 N -0.66 0.52 -0.28 2.19 5.85 -1.59 1.30 115.31 122.63 2kdc h LEU 71 Ca -0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kdc h LEU 71 Cb 0.47 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2kdc h LEU 71 CO 0.05 0.26 0.00 -3.20 -0.34 0.00 0.00 178.44 175.21 2kdc n ASN 72 N -4.52 0.39 -0.10 1.25 5.15 -1.15 -1.64 115.26 114.65 2kdc n ASN 72 Ca 0.16 0.58 -0.19 0.00 -0.60 0.00 0.00 54.58 54.52 2kdc n ASN 72 Cb 0.50 -0.67 -0.09 0.00 -0.53 0.00 0.00 39.78 38.99 2kdc n ASN 72 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2kdc n SER 73 N -1.91 1.86 0.10 1.20 3.41 0.42 -3.68 113.62 115.03 2kdc n SER 73 Ca 0.04 0.45 -0.13 0.00 -0.26 0.00 0.00 58.87 58.96 2kdc n SER 73 Cb 0.25 -0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 63.20 2kdc n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kdc h ALA 74 N -0.67 -0.21 -1.00 7.33 0.00 -0.65 1.65 119.26 125.70 2kdc h ALA 74 Ca -0.32 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.66 2kdc h ALA 74 Cb 1.19 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2kdc h ALA 74 CO -0.19 -0.57 0.62 -0.84 0.00 0.00 0.00 179.25 178.27 2kdc h ILE 75 N -0.30 0.80 0.00 0.00 -0.00 -1.53 0.26 117.51 116.74 2kdc h ILE 75 Ca -0.02 -0.30 -0.09 0.00 -0.00 0.00 0.00 64.86 64.45 2kdc h ILE 75 Cb 0.24 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 36.90 2kdc h ILE 75 CO 0.03 0.16 -0.60 -0.08 -0.00 0.00 0.00 178.15 177.66 2kdc h GLU 76 N 0.87 0.00 0.04 0.16 4.81 -1.53 -3.32 114.58 115.61 2kdc h GLU 76 Ca 0.54 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.78 2kdc h GLU 76 Cb 0.71 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2kdc h GLU 76 CO -0.33 0.34 -0.10 0.00 -0.73 0.00 0.00 179.01 178.20 2kdc h ALA 77 N 1.61 -0.14 -0.78 2.92 0.00 0.59 1.32 119.26 124.78 2kdc h ALA 77 Ca -0.03 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.07 2kdc h ALA 77 Cb 1.32 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2kdc h ALA 77 CO 0.05 -0.60 0.54 0.28 0.00 0.00 0.00 179.25 179.51 2kdc h VAL 78 N -0.18 0.69 0.00 0.00 2.07 -1.44 0.47 116.25 117.86 2kdc h VAL 78 Ca 0.02 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 2kdc h VAL 78 Cb 0.21 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2kdc h VAL 78 CO -0.07 0.04 -0.92 0.58 0.02 0.00 0.00 177.57 177.22 2kdc h VAL 79 N 0.23 0.53 0.00 2.57 2.07 -1.16 -3.39 116.25 117.10 2kdc h VAL 79 Ca 0.39 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2kdc h VAL 79 Cb 1.17 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2kdc h VAL 79 CO -0.09 0.30 0.00 0.47 0.02 0.00 0.00 177.57 178.27 2kdc n ASP 80 N -3.00 0.00 -0.00 0.57 8.00 0.44 -4.85 116.55 117.71 2kdc n ASP 80 Ca -0.03 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.57 2kdc n ASP 80 Cb 0.74 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.72 2kdc n ASP 80 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2kdc n ARG 81 N 0.00 0.25 -2.34 -1.24 0.63 -1.14 -5.05 116.66 107.76 2kdc n ARG 81 Ca 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kdc n ARG 81 Cb 0.00 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.45 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 -1.49 -0.89 -4.50 5.15 3.06 -0.75 -5.00 119.36 114.94 2kdc n ILE 82 Ca 0.04 0.07 -0.25 0.00 -2.50 0.00 0.00 62.75 60.11 2kdc n ILE 82 Cb 0.32 -1.94 -0.07 0.00 0.54 0.00 0.00 39.64 38.50 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 1.95 3.36 3.50 4.50 0.00 -1.26 -4.83 105.19 112.40 2kdc n GLY 83 Ca 0.00 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.62 2kdc n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kdc n SER 84 N -1.51 -5.90 0.00 1.61 3.41 -1.26 -4.94 113.62 105.03 2kdc n SER 84 Ca -0.08 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 2kdc n SER 84 Cb 0.57 -4.70 0.00 0.00 -0.26 0.00 0.00 64.21 59.82 2kdc n SER 84 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kdc n GLU 85 N -4.64 0.00 0.21 4.33 1.02 -1.26 -3.68 120.64 116.62 2kdc n GLU 85 Ca -0.02 0.43 0.08 0.00 -0.02 0.00 0.00 57.16 57.63 2kdc n GLU 85 Cb 0.57 -1.00 0.43 0.00 -0.02 0.00 0.00 31.44 31.42 2kdc n GLU 85 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2kdc h TYR 86 N 0.00 0.00 0.00 -0.32 -1.99 -2.00 -0.18 116.97 112.48 2kdc h TYR 86 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2kdc h TYR 86 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2kdc h TYR 86 CO 0.03 0.00 0.09 1.58 -0.00 0.00 0.00 178.16 179.85 2kdc n HIS 87 N -2.24 0.04 -3.81 4.88 -0.00 -1.24 -3.48 115.22 109.36 2kdc n HIS 87 Ca -0.01 0.02 -0.29 0.00 0.46 0.00 0.00 57.72 57.90 2kdc n HIS 87 Cb 0.37 -0.45 -0.13 0.00 -0.12 0.00 0.00 29.99 29.67 2kdc n HIS 87 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2kdc s GLU 88 N -2.87 1.72 -0.08 1.57 2.02 -0.08 -4.88 118.70 116.11 2kdc s GLU 88 Ca -0.00 -2.48 0.19 0.00 0.02 0.00 0.00 54.97 52.70 2kdc s GLU 88 Cb 0.00 -2.83 -0.28 0.00 0.10 0.00 0.00 34.13 31.12 2kdc s GLU 88 CO 0.01 -1.18 0.32 1.28 0.02 0.00 0.00 175.26 175.71 2kdc n LEU 89 N 3.06 0.00 -1.45 1.80 4.77 -1.23 -4.43 117.00 119.52 2kdc n LEU 89 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2kdc n LEU 89 Cb 0.34 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2kdc n LEU 89 CO 0.27 0.14 0.60 -1.20 -1.33 0.00 0.00 177.39 175.88 2kdc n SER 90 N -2.35 3.29 -1.33 -1.43 7.64 -1.26 -4.92 113.62 113.26 2kdc n SER 90 Ca -0.12 -1.82 0.16 0.00 1.01 0.00 0.00 58.87 58.10 2kdc n SER 90 Cb 0.70 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 2kdc n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kdc n GLY 91 N 1.34 -2.42 0.13 0.23 0.00 -1.26 -3.73 105.19 99.48 2kdc n GLY 91 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.37 0.00 0.04 1.61 -0.00 -1.91 -3.26 114.38 109.49 2kdc h ARG 92 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.88 2kdc h ARG 92 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.27 2kdc h ARG 92 CO 0.05 0.16 -0.02 0.00 -0.00 0.00 0.00 179.97 180.16 2kdc h ALA 93 N 1.76 -0.05 0.00 0.08 0.00 -2.02 -2.69 119.26 116.35 2kdc h ALA 93 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2kdc h ALA 93 Cb 1.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2kdc h ALA 93 CO 0.02 -0.46 -0.31 0.87 0.00 0.00 0.00 179.25 179.37 2kdc h LYS 94 N -0.18 0.00 -1.00 0.00 1.57 -1.69 -3.03 116.57 112.24 2kdc h LYS 94 Ca -0.00 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 59.15 2kdc h LYS 94 Cb 0.16 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.31 2kdc h LYS 94 CO 0.01 0.31 0.54 0.22 -0.57 0.00 0.00 179.45 179.96 2kdc h ASP 95 N 0.00 0.39 -0.21 0.86 1.82 -1.52 1.27 116.42 119.03 2kdc h ASP 95 Ca -0.00 0.23 -0.11 0.00 -0.39 0.00 0.00 57.03 56.76 2kdc h ASP 95 Cb 0.58 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.80 2kdc h ASP 95 CO 0.04 -0.30 -0.30 0.24 -1.61 0.00 0.00 179.24 177.31 2kdc h MET 96 N 0.15 0.58 -0.53 0.28 2.86 -1.63 -3.09 114.93 113.54 2kdc h MET 96 Ca 0.79 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 58.05 2kdc h MET 96 Cb 1.96 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.63 2kdc h MET 96 CO -0.70 0.94 0.16 0.78 1.06 0.00 0.00 176.91 179.16 2kdc h GLY 97 N 0.26 0.85 -0.27 8.32 0.00 0.11 -0.32 103.07 112.02 2kdc h GLY 97 Ca 0.02 -0.46 0.31 0.00 0.00 0.00 0.00 47.33 47.21 2kdc h GLY 97 CO 0.07 0.43 0.76 0.23 0.00 0.00 0.00 176.54 178.03 2kdc h SER 98 N 0.77 0.21 0.00 0.19 0.87 0.54 1.17 113.55 117.30 2kdc h SER 98 Ca 0.18 0.04 -0.37 0.00 -1.23 0.00 0.00 61.79 60.41 2kdc h SER 98 Cb 0.23 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 2kdc h SER 98 CO -0.01 0.03 -2.05 0.00 -0.53 0.00 0.00 176.83 174.28 2kdc n ALA 99 N -2.62 1.04 0.15 6.23 0.00 -0.92 -4.08 120.51 120.31 2kdc n ALA 99 Ca 0.25 -0.87 0.18 0.00 0.00 0.00 0.00 53.44 53.00 2kdc n ALA 99 Cb 1.07 -0.11 0.79 0.00 0.00 0.00 0.00 19.45 21.20 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 -0.82 1.96 0.49 0.00 0.00 -0.43 -2.45 119.26 118.02 2kdc h ALA 100 Ca -0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2kdc h ALA 100 Cb 1.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kdc h ALA 100 CO -0.34 -0.44 -0.24 0.28 0.00 0.00 0.00 179.25 178.52 2kdc h VAL 101 N 0.00 0.12 -0.79 0.00 2.07 0.12 0.68 116.25 118.45 2kdc h VAL 101 Ca 0.13 -0.53 0.16 0.00 0.82 0.00 0.00 66.70 67.28 2kdc h VAL 101 Cb 0.72 0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 2kdc h VAL 101 CO -0.00 0.02 0.30 -0.07 0.02 0.00 0.00 177.57 177.85 2kdc h LEU 102 N -1.13 0.26 -0.17 2.57 3.38 -1.59 0.12 115.31 118.74 2kdc h LEU 102 Ca -0.07 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2kdc h LEU 102 Cb 0.55 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2kdc h LEU 102 CO 0.11 0.07 -0.62 0.16 0.09 0.00 0.00 178.44 178.25 2kdc h ILE 103 N 0.42 1.12 -0.83 1.22 3.07 -1.54 -3.33 117.51 117.63 2kdc h ILE 103 Ca 0.44 -2.44 0.19 0.00 1.55 0.00 0.00 64.86 64.61 2kdc h ILE 103 Cb 0.72 2.46 -0.16 0.00 -0.27 0.00 0.00 36.82 39.57 2kdc h ILE 103 CO -0.44 0.61 -0.13 0.00 -1.05 0.00 0.00 178.15 177.14 2kdc n ALA 104 N -2.28 0.28 -0.09 0.16 0.00 0.24 0.28 120.51 119.10 2kdc n ALA 104 Ca 0.01 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.25 2kdc n ALA 104 Cb 0.75 -0.59 0.03 0.00 0.00 0.00 0.00 19.45 19.64 2kdc n ALA 104 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2kdc h ILE 105 N 0.00 1.28 0.21 0.00 2.04 -1.67 -2.93 117.51 116.45 2kdc h ILE 105 Ca 0.44 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2kdc h ILE 105 Cb 0.77 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2kdc h ILE 105 CO -0.83 0.51 -0.10 0.40 0.00 0.00 0.00 178.15 178.12 2kdc h ILE 106 N 0.67 0.00 0.00 -0.67 2.04 0.39 -3.26 117.51 116.68 2kdc h ILE 106 Ca 0.06 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2kdc h ILE 106 Cb 0.92 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2kdc h ILE 106 CO 0.09 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.79 2kdc n VAL 107 N -4.55 0.00 -0.33 1.67 3.14 0.67 0.78 118.33 119.71 2kdc n VAL 107 Ca -0.04 1.40 0.34 0.00 -2.96 0.00 0.00 64.34 63.08 2kdc n VAL 107 Cb 0.11 -2.09 0.52 0.00 -1.06 0.00 0.00 33.84 31.32 2kdc n VAL 107 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kdc n ALA 108 N -2.26 1.20 -1.09 1.55 0.00 -1.10 0.51 120.51 119.30 2kdc n ALA 108 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2kdc n ALA 108 Cb 0.00 -0.72 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 -3.37 0.00 -0.36 0.00 0.31 0.26 -3.90 118.33 111.27 2kdc n VAL 109 Ca 0.28 0.00 0.27 0.00 -0.01 0.00 0.00 64.34 64.88 2kdc n VAL 109 Cb 1.62 -0.60 0.53 0.00 -0.91 0.00 0.00 33.84 34.49 2kdc n VAL 109 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 2kdc h ILE 110 N 0.00 0.37 -0.06 2.52 2.10 0.57 0.17 117.51 123.17 2kdc h ILE 110 Ca 0.00 -0.11 0.01 0.00 1.08 0.00 0.00 64.86 65.84 2kdc h ILE 110 Cb 0.00 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 35.75 2kdc h ILE 110 CO 0.00 0.06 -0.00 0.74 -1.08 0.00 0.00 178.15 177.86 2kdc h THR 111 N 0.31 0.96 -0.05 2.19 2.02 -0.06 -0.63 112.91 117.65 2kdc h THR 111 Ca 0.69 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.75 2kdc h THR 111 Cb 1.82 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2kdc h THR 111 CO -0.41 0.00 -0.47 -0.25 0.37 0.00 0.00 175.52 174.76 2kdc h TRP 112 N 0.02 0.16 0.63 3.16 2.91 -0.88 -0.26 115.95 121.69 2kdc h TRP 112 Ca 0.03 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 59.97 2kdc h TRP 112 Cb 0.03 -0.03 0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2kdc h TRP 112 CO -0.11 0.58 -0.30 0.00 -1.03 0.00 0.00 178.44 177.58 2kdc h ILE 114 N -1.14 1.27 -0.50 0.00 5.03 -1.19 -2.66 117.51 118.33 2kdc h ILE 114 Ca -0.09 -1.30 0.12 0.00 -0.12 0.00 0.00 64.86 63.48 2kdc h ILE 114 Cb 0.69 0.99 -0.02 0.00 -3.03 0.00 0.00 36.82 35.45 2kdc h ILE 114 CO 0.14 0.46 0.35 0.25 -0.68 0.00 0.00 178.15 178.67 2kdc h LEU 115 N 0.91 0.10 -1.16 1.44 5.85 -1.09 0.43 115.31 121.79 2kdc h LEU 115 Ca 0.14 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2kdc h LEU 115 Cb 0.71 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2kdc h LEU 115 CO 0.05 0.06 -0.36 0.25 -0.34 0.00 0.00 178.44 178.10 2kdc h LEU 116 N 0.11 0.10 -2.51 2.25 6.46 -1.06 -2.20 115.31 118.47 2kdc h LEU 116 Ca 0.24 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2kdc h LEU 116 Cb 0.79 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2kdc h LEU 116 CO -0.03 0.46 0.16 -0.25 -0.62 0.00 0.00 178.44 178.16 2kdc h TRP 117 N 0.09 0.00 -0.02 1.25 7.01 -0.13 0.91 115.95 125.05 2kdc h TRP 117 Ca 0.01 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2kdc h TRP 117 Cb 0.69 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 2kdc h TRP 117 CO 0.00 0.00 0.01 1.03 -2.79 0.00 0.00 178.44 176.70 2kdc h SER 118 N 0.00 0.00 0.01 2.65 0.87 -1.44 -0.25 113.55 115.40 2kdc h SER 118 Ca 0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kdc h SER 118 Cb 0.32 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2kdc h SER 118 CO -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2kdc n HIS 119 N -4.53 0.00 0.00 2.24 1.44 0.31 -3.87 115.22 110.81 2kdc n HIS 119 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 2kdc n HIS 119 Cb 0.11 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.19 2kdc n HIS 119 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2kdc n PHE 120 N -1.03 0.00 0.00 -1.40 7.35 -0.10 -5.20 117.46 117.08 2kdc n PHE 120 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2kdc n PHE 120 Cb 0.02 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.85 2kdc n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41