#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 -6.33 -4.55 0.00 5.15 -1.26 -4.85 115.26 103.42 2kdc n ASN 2 Ca 0.00 -0.72 -0.38 0.00 -0.60 0.00 0.00 54.58 52.88 2kdc n ASN 2 Cb 0.00 -4.47 -0.03 0.00 -0.53 0.00 0.00 39.78 34.75 2kdc n ASN 2 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kdc s ASN 3 N -3.33 5.85 -0.61 1.20 4.22 -1.26 -4.91 114.94 116.10 2kdc s ASN 3 Ca 0.37 -0.51 -0.29 0.00 -2.14 0.00 0.00 52.86 50.29 2kdc s ASN 3 Cb -0.08 -2.55 -0.12 0.00 1.28 0.00 0.00 41.25 39.77 2kdc s ASN 3 CO 0.79 -2.05 2.46 0.41 -2.04 0.00 0.00 177.10 176.67 2kdc n THR 4 N 6.95 -0.01 0.00 0.54 -1.04 -1.26 -4.12 114.28 115.33 2kdc n THR 4 Ca 0.20 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2kdc n THR 4 Cb 0.50 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 2kdc n THR 4 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2kdc n THR 5 N 7.75 0.00 -0.03 12.58 -1.04 -1.26 -4.94 114.28 127.34 2kdc n THR 5 Ca 0.46 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.32 2kdc n THR 5 Cb 0.36 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.75 2kdc n THR 5 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kdc h GLY 6 N 0.00 0.14 0.77 3.41 0.00 -2.02 -3.23 103.07 102.15 2kdc h GLY 6 Ca 0.00 -0.25 0.17 0.00 0.00 0.00 0.00 47.33 47.24 2kdc h GLY 6 CO 0.00 0.22 0.45 0.74 0.00 0.00 0.00 176.54 177.96 2kdc h PHE 7 N -0.58 0.13 -0.70 5.60 -1.00 -1.93 0.13 116.94 118.58 2kdc h PHE 7 Ca -0.02 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.80 2kdc h PHE 7 Cb 0.97 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.45 2kdc h PHE 7 CO 0.19 0.05 0.46 1.15 -1.61 0.00 0.00 178.31 178.55 2kdc h THR 8 N 0.11 1.09 -0.62 -1.55 2.02 -1.92 -1.21 112.91 110.84 2kdc h THR 8 Ca 0.31 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 2kdc h THR 8 Cb 1.07 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2kdc h THR 8 CO -0.04 0.15 0.21 0.03 0.37 0.00 0.00 175.52 176.25 2kdc h ARG 9 N 0.83 0.92 -0.02 6.66 3.08 -0.85 0.10 114.38 125.12 2kdc h ARG 9 Ca 0.28 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2kdc h ARG 9 Cb 0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2kdc h ARG 9 CO -0.08 0.78 -0.01 0.82 -1.07 0.00 0.00 179.97 180.41 2kdc h ILE 10 N 0.90 1.34 -0.09 2.04 5.03 -1.27 0.50 117.51 125.97 2kdc h ILE 10 Ca 0.21 -1.02 0.01 0.00 -0.12 0.00 0.00 64.86 63.93 2kdc h ILE 10 Cb 0.23 2.00 -0.01 0.00 -3.03 0.00 0.00 36.82 36.01 2kdc h ILE 10 CO -0.01 0.27 0.03 0.40 -0.68 0.00 0.00 178.15 178.16 2kdc h ILE 11 N -0.38 0.98 -0.51 -0.67 2.04 -1.14 -0.47 117.51 117.37 2kdc h ILE 11 Ca 0.00 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 2kdc h ILE 11 Cb 0.45 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2kdc h ILE 11 CO 0.00 0.01 -0.04 0.11 0.00 0.00 0.00 178.15 178.24 2kdc h LYS 12 N 0.08 0.88 -0.32 2.37 1.57 -0.81 -2.46 116.57 117.88 2kdc h LYS 12 Ca 0.04 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2kdc h LYS 12 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2kdc h LYS 12 CO -0.04 0.90 0.13 0.00 -0.57 0.00 0.00 179.45 179.87 2kdc h ALA 13 N 1.14 1.63 0.00 3.86 0.00 0.46 -0.57 119.26 125.78 2kdc h ALA 13 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kdc h ALA 13 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kdc h ALA 13 CO 0.03 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2kdc n ALA 14 N -2.48 2.25 -0.15 0.00 0.00 -0.22 -3.83 120.51 116.08 2kdc n ALA 14 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2kdc n ALA 14 Cb 0.13 -1.47 0.03 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 4.41 0.28 -3.87 0.00 0.00 -0.65 0.31 103.07 103.54 2kdc h GLY 15 Ca 0.00 0.20 -0.54 0.00 0.00 0.00 0.00 47.33 46.99 2kdc h GLY 15 CO 0.00 -0.19 0.69 1.58 0.00 0.00 0.00 176.54 178.62 2kdc n TYR 16 N -5.37 2.89 0.21 5.60 4.11 -1.25 -4.52 117.16 118.82 2kdc n TYR 16 Ca 0.04 -2.22 0.05 0.00 -0.00 0.00 0.00 57.90 55.77 2kdc n TYR 16 Cb 0.27 -1.10 0.51 0.00 -0.00 0.00 0.00 39.34 39.02 2kdc n TYR 16 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2kdc h SER 17 N 1.35 0.05 -0.28 9.48 0.87 -1.09 -2.51 113.55 121.42 2kdc h SER 17 Ca 0.58 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.10 2kdc h SER 17 Cb 1.91 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 2kdc h SER 17 CO 1.21 0.18 0.08 -0.25 -0.53 0.00 0.00 176.83 177.52 2kdc h TRP 18 N 0.05 0.46 -0.79 2.24 7.01 -1.80 -2.88 115.95 120.24 2kdc h TRP 18 Ca 0.01 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 2kdc h TRP 18 Cb 0.26 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 2kdc h TRP 18 CO 0.00 0.50 0.37 0.87 -2.79 0.00 0.00 178.44 177.39 2kdc h LYS 19 N 0.29 1.14 -0.37 2.65 1.57 -1.82 -1.83 116.57 118.20 2kdc h LYS 19 Ca 0.09 -0.17 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2kdc h LYS 19 Cb 0.26 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2kdc h LYS 19 CO -0.00 0.88 0.32 0.78 -0.57 0.00 0.00 179.45 180.87 2kdc h GLY 20 N 1.15 0.00 0.71 3.86 0.00 -1.25 0.14 103.07 107.68 2kdc h GLY 20 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 2kdc h GLY 20 CO -0.03 0.00 -0.46 -2.00 0.00 0.00 0.00 176.54 174.04 2kdc h LEU 21 N 0.00 0.45 -1.10 3.11 5.85 -1.24 -2.68 115.31 119.71 2kdc h LEU 21 Ca 0.17 -0.73 -0.09 0.00 0.84 0.00 0.00 57.88 58.07 2kdc h LEU 21 Cb 0.82 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2kdc h LEU 21 CO -0.00 1.12 -0.45 0.03 -0.34 0.00 0.00 178.44 178.80 2kdc h ARG 22 N -0.17 0.00 0.00 1.25 3.08 -1.10 -2.65 114.38 114.79 2kdc h ARG 22 Ca -0.05 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2kdc h ARG 22 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2kdc h ARG 22 CO 0.09 0.45 -0.49 0.00 -1.07 0.00 0.00 179.97 178.95 2kdc h ALA 23 N 1.55 1.00 -0.54 0.04 0.00 -0.81 -3.05 119.26 117.45 2kdc h ALA 23 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2kdc h ALA 23 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kdc h ALA 23 CO 0.06 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.97 2kdc h ALA 24 N 1.51 1.06 0.60 0.00 0.00 -1.11 -0.22 119.26 121.09 2kdc h ALA 24 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2kdc h ALA 24 Cb 0.98 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kdc h ALA 24 CO 0.06 0.60 -0.29 -1.49 0.00 0.00 0.00 179.25 178.13 2kdc h TRP 25 N 0.84 -0.75 0.00 0.00 -0.00 -1.54 -2.39 115.95 112.10 2kdc h TRP 25 Ca 0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 2kdc h TRP 25 Cb 0.43 0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.84 2kdc h TRP 25 CO 0.03 -0.46 0.00 -0.84 -0.00 0.00 0.00 178.44 177.16 2kdc h ILE 26 N -0.85 0.00 -1.12 1.49 3.07 -1.57 -0.75 117.51 117.78 2kdc h ILE 26 Ca -0.08 -0.02 -0.64 0.00 1.55 0.00 0.00 64.86 65.66 2kdc h ILE 26 Cb 0.62 0.70 -0.34 0.00 -0.27 0.00 0.00 36.82 37.53 2kdc h ILE 26 CO 0.14 0.00 0.22 -3.20 -1.05 0.00 0.00 178.15 174.26 2kdc n ASN 27 N -2.56 6.53 0.00 2.16 4.05 -0.10 -4.44 115.26 120.90 2kdc n ASN 27 Ca -0.02 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 51.23 2kdc n ASN 27 Cb 0.06 -0.74 0.00 0.00 1.23 0.00 0.00 39.78 40.33 2kdc n ASN 27 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2kdc n GLU 28 N -0.75 0.00 0.00 1.20 2.13 -0.63 -4.84 120.64 117.75 2kdc n GLU 28 Ca 0.53 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.39 2kdc n GLU 28 Cb 0.69 0.00 0.21 0.00 0.27 0.00 0.00 31.44 32.61 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 0.00 2.00 -0.59 4.31 0.00 -0.81 -3.96 120.51 121.46 2kdc n ALA 29 Ca 0.00 -0.04 0.46 0.00 0.00 0.00 0.00 53.44 53.85 2kdc n ALA 29 Cb 0.00 -1.11 0.72 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.74 1.61 -0.06 0.00 0.00 -0.38 0.11 120.51 121.06 2kdc n ALA 30 Ca 0.05 0.67 -0.22 0.00 0.00 0.00 0.00 53.44 53.94 2kdc n ALA 30 Cb 0.02 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.02 1.09 0.25 0.00 -1.74 -1.25 -3.99 117.46 107.80 2kdc n PHE 31 Ca 0.40 0.35 0.09 0.00 -0.56 0.00 0.00 57.45 57.73 2kdc n PHE 31 Cb 1.74 -1.13 0.63 0.00 1.52 0.00 0.00 39.48 42.25 2kdc n PHE 31 CO 0.00 0.00 0.00 -0.09 -0.56 0.00 0.00 176.76 176.11 2kdc h ARG 32 N -0.50 0.00 0.88 3.97 2.43 -0.33 -2.88 114.38 117.95 2kdc h ARG 32 Ca -0.40 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 2kdc h ARG 32 Cb 1.65 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.21 2kdc h ARG 32 CO -0.08 0.14 -0.44 1.96 -1.51 0.00 0.00 179.97 180.04 2kdc h GLN 33 N 0.00 -1.17 -1.25 0.20 4.20 0.69 0.37 115.11 118.16 2kdc h GLN 33 Ca -0.00 0.08 0.36 0.00 0.06 0.00 0.00 58.65 59.15 2kdc h GLN 33 Cb 0.29 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 2kdc h GLN 33 CO 0.02 -0.78 1.26 1.49 -0.67 0.00 0.00 178.83 180.15 2kdc h GLU 34 N -1.21 0.00 0.03 1.46 4.81 -1.64 0.37 114.58 118.40 2kdc h GLU 34 Ca -0.12 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.75 2kdc h GLU 34 Cb 0.94 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 2kdc h GLU 34 CO 0.19 0.00 -2.02 0.41 -0.73 0.00 0.00 179.01 176.86 2kdc n GLY 35 N -1.77 -0.58 0.26 1.92 0.00 -0.75 -3.94 105.19 100.32 2kdc n GLY 35 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 2kdc n GLY 35 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kdc h VAL 36 N -0.58 0.93 0.00 1.61 2.07 0.38 -2.40 116.25 118.25 2kdc h VAL 36 Ca -0.51 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2kdc h VAL 36 Cb 1.67 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2kdc h VAL 36 CO -0.18 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.52 2kdc n ALA 37 N -2.37 -0.43 0.30 1.67 0.00 -0.21 -0.62 120.51 118.85 2kdc n ALA 37 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kdc n ALA 37 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.67 2kdc n ALA 37 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kdc h VAL 38 N 0.00 0.00 0.00 0.00 -1.51 -1.67 1.45 116.25 114.52 2kdc h VAL 38 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 2kdc h VAL 38 Cb 0.00 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.17 2kdc h VAL 38 CO 0.00 0.00 -0.56 0.25 -1.23 0.00 0.00 177.57 176.03 2kdc h LEU 39 N 0.00 0.00 -1.65 4.19 6.46 -1.00 -3.17 115.31 120.14 2kdc h LEU 39 Ca 0.00 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2kdc h LEU 39 Cb 1.86 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.78 2kdc h LEU 39 CO 0.00 0.95 0.25 0.25 -0.62 0.00 0.00 178.44 179.27 2kdc h LEU 40 N -1.00 0.41 -1.50 2.25 5.85 0.39 0.14 115.31 121.86 2kdc h LEU 40 Ca -0.10 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2kdc h LEU 40 Cb 0.70 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2kdc h LEU 40 CO -0.06 0.29 -0.14 0.00 -0.34 0.00 0.00 178.44 178.20 2kdc h ALA 41 N 1.77 1.08 0.11 1.25 0.00 0.65 -2.77 119.26 121.35 2kdc h ALA 41 Ca 0.14 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.56 2kdc h ALA 41 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kdc h ALA 41 CO -0.03 0.17 -2.03 0.28 0.00 0.00 0.00 179.25 177.64 2kdc n VAL 42 N -3.37 1.75 -0.04 0.00 0.31 0.27 -3.36 118.33 113.89 2kdc n VAL 42 Ca -0.00 -0.64 -0.09 0.00 -0.01 0.00 0.00 64.34 63.60 2kdc n VAL 42 Cb 0.33 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 2kdc n VAL 42 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2kdc h VAL 43 N 0.04 0.93 -0.29 2.52 2.07 -0.86 0.46 116.25 121.12 2kdc h VAL 43 Ca -0.44 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2kdc h VAL 43 Cb 2.01 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2kdc h VAL 43 CO 0.07 0.03 0.12 0.40 0.02 0.00 0.00 177.57 178.20 2kdc h ILE 44 N 0.15 1.17 -0.45 4.57 2.04 -1.68 -2.33 117.51 120.97 2kdc h ILE 44 Ca 0.09 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2kdc h ILE 44 Cb 0.07 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2kdc h ILE 44 CO -0.11 0.18 0.28 0.00 0.00 0.00 0.00 178.15 178.50 2kdc h ALA 45 N 0.96 1.64 0.18 1.87 0.00 -1.47 -2.07 119.26 120.37 2kdc h ALA 45 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2kdc h ALA 45 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kdc h ALA 45 CO -0.01 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 2kdc h TRP 47 N -0.24 0.34 -1.27 0.00 2.91 -0.93 -3.42 115.95 113.34 2kdc h TRP 47 Ca -0.02 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.16 2kdc h TRP 47 Cb 0.19 -0.11 -0.29 0.00 -0.51 0.00 0.00 29.16 28.44 2kdc h TRP 47 CO -0.07 0.17 0.49 -1.17 -1.03 0.00 0.00 178.44 176.83 2kdc s LEU 48 N -9.24 -0.35 -0.26 0.65 2.96 -0.69 -5.13 118.68 106.62 2kdc s LEU 48 Ca -0.07 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2kdc s LEU 48 Cb 0.19 1.49 0.15 0.00 0.50 0.00 0.00 46.19 48.53 2kdc s LEU 48 CO 0.74 -0.09 0.45 -0.62 -1.32 0.00 0.00 176.35 175.51 2kdc s ASP 49 N 1.38 -0.26 -0.21 3.68 2.15 -1.00 -4.02 116.67 118.39 2kdc s ASP 49 Ca -0.08 0.44 0.19 0.00 0.43 0.00 0.00 52.55 53.53 2kdc s ASP 49 Cb -0.03 1.44 0.43 0.00 -0.30 0.00 0.00 42.92 44.45 2kdc s ASP 49 CO -0.14 -0.29 1.22 0.52 -0.17 0.00 0.00 175.17 176.32 2kdc n VAL 50 N 5.38 0.62 -4.11 1.11 0.31 -1.26 -5.09 118.33 115.30 2kdc n VAL 50 Ca -0.03 -1.85 -0.24 0.00 -0.01 0.00 0.00 64.34 62.21 2kdc n VAL 50 Cb 0.50 1.11 -0.05 0.00 -0.91 0.00 0.00 33.84 34.49 2kdc n VAL 50 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2kdc s ASP 51 N -2.58 5.46 0.00 4.52 1.47 -1.26 -5.12 116.67 119.16 2kdc s ASP 51 Ca 0.21 -0.22 0.00 0.00 1.18 0.00 0.00 52.55 53.72 2kdc s ASP 51 Cb 0.34 -1.39 0.00 0.00 -0.34 0.00 0.00 42.92 41.53 2kdc s ASP 51 CO -0.08 0.01 0.00 0.00 0.68 0.00 0.00 175.17 175.78 2kdc n ALA 52 N -0.79 0.00 -0.13 2.11 0.00 -1.26 -5.03 120.51 115.41 2kdc n ALA 52 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kdc n ALA 52 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -0.30 0.00 3.06 -1.26 -5.00 119.36 115.86 2kdc n ILE 53 Ca 0.00 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.35 2kdc n ILE 53 Cb 0.00 0.00 0.23 0.00 0.54 0.00 0.00 39.64 40.41 2kdc n ILE 53 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2kdc h THR 54 N 0.00 0.18 -1.01 9.51 2.02 -2.02 0.84 112.91 122.44 2kdc h THR 54 Ca 0.00 -0.02 0.26 0.00 0.77 0.00 0.00 66.41 67.42 2kdc h THR 54 Cb 0.00 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 66.39 2kdc h THR 54 CO 0.00 0.01 0.60 0.03 0.37 0.00 0.00 175.52 176.53 2kdc h ARG 55 N 0.07 0.51 0.00 6.66 -0.00 -2.03 1.24 114.38 120.83 2kdc h ARG 55 Ca 0.52 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.96 2kdc h ARG 55 Cb 1.00 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.85 2kdc h ARG 55 CO -0.80 0.33 -0.02 0.28 0.00 0.00 0.00 179.97 179.77 2kdc h VAL 56 N 0.52 0.95 -0.86 2.04 2.07 0.32 -2.26 116.25 119.03 2kdc h VAL 56 Ca 0.66 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 68.31 2kdc h VAL 56 Cb 1.34 1.04 -0.13 0.00 -1.52 0.00 0.00 31.29 32.02 2kdc h VAL 56 CO -0.49 0.02 0.30 0.25 0.02 0.00 0.00 177.57 177.68 2kdc h LEU 57 N 0.00 0.17 -1.18 2.57 5.85 0.16 1.49 115.31 124.37 2kdc h LEU 57 Ca -0.00 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2kdc h LEU 57 Cb 0.04 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2kdc h LEU 57 CO 0.00 -0.05 0.59 -0.07 -0.34 0.00 0.00 178.44 178.57 2kdc h LEU 58 N 0.32 0.79 0.06 2.25 3.38 -1.50 -0.16 115.31 120.45 2kdc h LEU 58 Ca 0.53 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.53 2kdc h LEU 58 Cb 1.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2kdc h LEU 58 CO -0.56 0.44 -0.03 0.40 0.09 0.00 0.00 178.44 178.78 2kdc h ILE 59 N 0.86 0.86 -1.01 1.22 2.04 0.14 -3.12 117.51 118.51 2kdc h ILE 59 Ca 0.44 -1.49 0.34 0.00 1.00 0.00 0.00 64.86 65.15 2kdc h ILE 59 Cb 0.51 1.58 -0.15 0.00 -0.74 0.00 0.00 36.82 38.02 2kdc h ILE 59 CO -0.21 0.27 0.57 0.28 0.00 0.00 0.00 178.15 179.07 2kdc h SER 60 N -0.96 0.49 -0.32 1.72 0.02 0.14 1.93 113.55 116.56 2kdc h SER 60 Ca -0.01 0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2kdc h SER 60 Cb 0.51 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2kdc h SER 60 CO 0.01 -0.18 0.10 0.77 -1.14 0.00 0.00 176.83 176.40 2kdc h SER 61 N 0.28 0.47 0.63 3.07 4.64 -1.13 -2.26 113.55 119.25 2kdc h SER 61 Ca 0.75 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.80 2kdc h SER 61 Cb 1.77 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.73 2kdc h SER 61 CO -0.62 0.55 -0.34 0.58 -0.87 0.00 0.00 176.83 176.13 2kdc h VAL 62 N 0.37 0.94 -0.90 0.95 2.07 0.18 -2.84 116.25 117.02 2kdc h VAL 62 Ca 0.10 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.39 2kdc h VAL 62 Cb 0.25 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2kdc h VAL 62 CO -0.00 0.33 0.59 -0.03 0.02 0.00 0.00 177.57 178.47 2kdc h MET 63 N 0.00 0.99 -0.49 1.57 4.05 0.30 0.13 114.93 121.47 2kdc h MET 63 Ca -0.00 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 2kdc h MET 63 Cb 0.74 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 2kdc h MET 63 CO 0.04 0.65 0.17 -0.07 0.23 0.00 0.00 176.91 177.93 2kdc h LEU 64 N 1.02 0.66 -0.53 3.39 3.38 -1.35 -2.19 115.31 119.69 2kdc h LEU 64 Ca 0.39 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2kdc h LEU 64 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2kdc h LEU 64 CO -0.15 0.62 -0.03 0.58 0.09 0.00 0.00 178.44 179.55 2kdc h VAL 65 N 0.71 1.27 -0.84 1.22 2.07 -0.88 -2.60 116.25 117.20 2kdc h VAL 65 Ca 0.17 -1.15 0.14 0.00 0.82 0.00 0.00 66.70 66.68 2kdc h VAL 65 Cb 0.19 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2kdc h VAL 65 CO -0.01 0.41 0.55 0.24 0.02 0.00 0.00 177.57 178.77 2kdc h MET 66 N 0.83 0.58 -0.00 1.57 2.86 -0.58 1.09 114.93 121.27 2kdc h MET 66 Ca 0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2kdc h MET 66 Cb 0.58 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2kdc h MET 66 CO 0.03 0.39 0.01 0.82 1.06 0.00 0.00 176.91 179.21 2kdc h ILE 67 N 0.60 0.47 0.00 -1.22 2.04 -1.20 1.88 117.51 120.08 2kdc h ILE 67 Ca 0.42 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 66.03 2kdc h ILE 67 Cb 0.75 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2kdc h ILE 67 CO -0.17 0.00 -1.79 0.52 0.00 0.00 0.00 178.15 176.71 2kdc n VAL 68 N -3.76 1.31 -0.10 1.67 0.31 0.35 -3.66 118.33 114.45 2kdc n VAL 68 Ca -0.03 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.41 2kdc n VAL 68 Cb 0.09 -0.73 -0.05 0.00 -0.91 0.00 0.00 33.84 32.24 2kdc n VAL 68 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kdc n GLU 69 N -2.87 0.53 0.47 5.55 1.02 0.13 -3.85 120.64 121.62 2kdc n GLU 69 Ca -0.17 0.33 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 2kdc n GLU 69 Cb 0.97 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 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 -1.00 0.11 -0.89 -3.67 1.08 0.27 -2.53 117.51 110.87 2kdc h ILE 70 Ca -0.17 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.54 2kdc h ILE 70 Cb 1.03 0.11 -0.14 0.00 -3.07 0.00 0.00 36.82 34.75 2kdc h ILE 70 CO -0.10 0.00 0.31 0.25 -0.69 0.00 0.00 178.15 177.92 2kdc h LEU 71 N -1.19 0.13 0.00 1.44 6.46 -1.52 2.38 115.31 123.01 2kdc h LEU 71 Ca -0.12 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2kdc h LEU 71 Cb 0.92 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2kdc h LEU 71 CO 0.18 -0.12 0.14 -3.20 -0.62 0.00 0.00 178.44 174.82 2kdc n ASN 72 N -5.16 0.00 -0.09 1.25 5.15 -0.96 -0.24 115.26 115.21 2kdc n ASN 72 Ca 0.22 0.36 -0.22 0.00 -0.60 0.00 0.00 54.58 54.34 2kdc n ASN 72 Cb 0.70 -0.36 -0.12 0.00 -0.53 0.00 0.00 39.78 39.48 2kdc n ASN 72 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2kdc h SER 73 N 0.00 0.04 0.12 1.20 0.87 0.41 -3.17 113.55 113.02 2kdc h SER 73 Ca 0.00 -0.56 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 2kdc h SER 73 Cb 0.27 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2kdc h SER 73 CO 0.00 1.51 -0.06 0.00 -0.53 0.00 0.00 176.83 177.76 2kdc h ALA 74 N -0.43 -0.16 0.00 6.23 0.00 -0.46 1.66 119.26 126.11 2kdc h ALA 74 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kdc h ALA 74 Cb 1.36 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2kdc h ALA 74 CO -0.18 -0.56 0.00 -0.84 0.00 0.00 0.00 179.25 177.67 2kdc h ILE 75 N -0.21 0.00 0.00 0.00 -0.00 -1.41 0.22 117.51 116.11 2kdc h ILE 75 Ca -0.02 -0.11 -0.30 0.00 -0.00 0.00 0.00 64.86 64.44 2kdc h ILE 75 Cb 0.17 0.75 -0.05 0.00 -0.00 0.00 0.00 36.82 37.69 2kdc h ILE 75 CO 0.03 0.00 -1.90 1.21 -0.00 0.00 0.00 178.15 177.49 2kdc n GLU 76 N -2.37 0.65 0.07 0.16 2.13 -0.35 -4.00 120.64 116.92 2kdc n GLU 76 Ca -0.00 0.18 -0.13 0.00 0.66 0.00 0.00 57.16 57.87 2kdc n GLU 76 Cb 0.12 -1.70 -0.08 0.00 0.27 0.00 0.00 31.44 30.05 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 1.07 -0.12 -0.93 4.31 0.00 0.56 1.45 119.26 125.60 2kdc h ALA 77 Ca -0.35 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2kdc h ALA 77 Cb 2.02 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.78 2kdc h ALA 77 CO 0.06 -0.50 0.56 -0.39 0.00 0.00 0.00 179.25 178.98 2kdc h VAL 78 N -0.26 0.92 0.00 0.00 -1.51 -1.43 -1.00 116.25 112.97 2kdc h VAL 78 Ca -0.01 -0.31 -0.15 0.00 -1.23 0.00 0.00 66.70 64.99 2kdc h VAL 78 Cb 0.22 -0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.28 2kdc h VAL 78 CO 0.02 0.17 -1.00 -0.37 -1.23 0.00 0.00 177.57 175.15 2kdc h VAL 79 N 0.91 0.82 0.00 7.19 -1.51 -1.65 -3.44 116.25 118.58 2kdc h VAL 79 Ca 0.45 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.62 2kdc h VAL 79 Cb 0.43 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 2kdc h VAL 79 CO -0.26 0.47 0.00 0.47 -1.23 0.00 0.00 177.57 177.02 2kdc n ASP 80 N -3.09 0.00 -0.08 4.19 9.92 0.49 -5.01 116.55 122.97 2kdc n ASP 80 Ca -0.04 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.07 2kdc n ASP 80 Cb 0.82 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.25 2kdc n ASP 80 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kdc n ARG 81 N 0.00 0.43 -1.35 -1.24 1.74 -0.97 -5.01 116.66 110.26 2kdc n ARG 81 Ca 0.00 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2kdc n ARG 81 Cb 0.00 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2kdc n ARG 81 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2kdc n ILE 82 N -4.09 -4.61 0.00 0.55 0.00 -0.87 -4.90 119.36 105.44 2kdc n ILE 82 Ca -0.27 2.02 0.00 0.00 0.00 0.00 0.00 62.75 64.51 2kdc n ILE 82 Cb 0.60 -2.80 0.00 0.00 0.00 0.00 0.00 39.64 37.45 2kdc n ILE 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kdc n GLY 83 N -0.96 0.13 4.00 4.50 0.00 -1.26 -4.95 105.19 106.65 2kdc n GLY 83 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kdc n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kdc n SER 84 N 0.00 -3.36 0.00 1.61 7.64 -1.26 -4.90 113.62 113.34 2kdc n SER 84 Ca 0.00 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2kdc n SER 84 Cb 0.00 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 2kdc n SER 84 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kdc n GLU 85 N -4.51 0.00 0.08 1.43 4.07 -1.26 -3.35 120.64 117.10 2kdc n GLU 85 Ca -0.03 0.39 0.12 0.00 -0.06 0.00 0.00 57.16 57.59 2kdc n GLU 85 Cb 0.55 -1.33 0.25 0.00 -0.06 0.00 0.00 31.44 30.85 2kdc n GLU 85 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 2kdc n TYR 86 N -1.60 0.72 0.23 4.31 4.19 -1.26 -4.23 117.16 119.52 2kdc n TYR 86 Ca 0.00 0.21 -0.15 0.00 3.31 0.00 0.00 57.90 61.27 2kdc n TYR 86 Cb 0.00 -0.77 -0.08 0.00 0.49 0.00 0.00 39.34 38.98 2kdc n TYR 86 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2kdc h HIS 87 N 0.00 -1.13 -0.12 2.98 2.76 -1.95 -3.37 115.15 114.32 2kdc h HIS 87 Ca 0.00 0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 57.97 2kdc h HIS 87 Cb 0.75 0.44 -0.07 0.00 1.55 0.00 0.00 27.41 30.08 2kdc h HIS 87 CO 0.00 -0.54 1.23 -1.91 -1.30 0.00 0.00 177.93 175.41 2kdc n GLU 88 N -4.87 0.20 0.01 5.26 2.13 -1.21 -3.20 120.64 118.95 2kdc n GLU 88 Ca -0.10 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.38 2kdc n GLU 88 Cb 0.37 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.06 2kdc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2kdc n LEU 89 N 10.47 -0.17 -0.47 4.31 7.94 -1.26 -4.93 117.00 132.89 2kdc n LEU 89 Ca 0.57 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 2kdc n LEU 89 Cb 0.27 0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.59 2kdc n LEU 89 CO 0.86 -0.17 0.15 -1.20 -1.11 0.00 0.00 177.39 175.93 2kdc n SER 90 N -2.30 0.54 -1.28 1.96 7.64 -1.19 -4.94 113.62 114.04 2kdc n SER 90 Ca 0.00 -1.15 0.15 0.00 1.01 0.00 0.00 58.87 58.88 2kdc n SER 90 Cb 0.00 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.20 -2.18 0.13 0.23 0.00 -1.26 -3.74 105.19 98.57 2kdc n GLY 91 Ca 0.00 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.34 0.00 0.13 1.61 0.11 -1.99 -3.26 114.38 109.65 2kdc h ARG 92 Ca -0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2kdc h ARG 92 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2kdc h ARG 92 CO 0.04 0.08 -0.06 0.00 0.10 0.00 0.00 179.97 180.13 2kdc h ALA 93 N 1.86 -0.18 0.00 0.08 0.00 -2.01 -2.93 119.26 116.08 2kdc h ALA 93 Ca -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kdc h ALA 93 Cb 1.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kdc h ALA 93 CO 0.01 -0.48 -0.29 -0.22 0.00 0.00 0.00 179.25 178.27 2kdc h LYS 94 N -0.42 0.00 -0.98 0.00 1.63 -1.71 -3.08 116.57 112.00 2kdc h LYS 94 Ca -0.02 0.00 0.33 0.00 -0.85 0.00 0.00 60.65 60.11 2kdc h LYS 94 Cb 0.34 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 31.81 2kdc h LYS 94 CO 0.03 0.29 0.48 0.22 -3.45 0.00 0.00 179.45 177.02 2kdc h ASP 95 N 0.00 0.34 -0.02 4.20 1.82 -1.55 1.46 116.42 122.67 2kdc h ASP 95 Ca -0.00 0.22 -0.07 0.00 -0.39 0.00 0.00 57.03 56.78 2kdc h ASP 95 Cb 0.60 0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.83 2kdc h ASP 95 CO 0.04 -0.23 -0.28 0.24 -1.61 0.00 0.00 179.24 177.40 2kdc h MET 96 N 0.21 0.22 -0.49 0.28 2.86 -1.64 -3.29 114.93 113.07 2kdc h MET 96 Ca 0.73 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 58.09 2kdc h MET 96 Cb 1.72 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.41 2kdc h MET 96 CO -0.67 0.91 0.03 0.78 1.06 0.00 0.00 176.91 179.02 2kdc h GLY 97 N -0.40 0.86 -0.19 8.32 0.00 -0.81 -1.08 103.07 109.77 2kdc h GLY 97 Ca -0.03 -0.55 0.29 0.00 0.00 0.00 0.00 47.33 47.04 2kdc h GLY 97 CO 0.06 0.52 0.73 1.76 0.00 0.00 0.00 176.54 179.60 2kdc h SER 98 N 0.75 0.26 0.00 0.19 0.02 0.18 1.49 113.55 116.44 2kdc h SER 98 Ca 0.15 0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 60.94 2kdc h SER 98 Cb 0.42 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2kdc h SER 98 CO 0.02 0.05 -1.36 0.00 -1.14 0.00 0.00 176.83 174.39 2kdc n ALA 99 N -2.59 0.81 0.30 3.77 0.00 -1.00 -4.08 120.51 117.72 2kdc n ALA 99 Ca 0.25 -0.63 0.19 0.00 0.00 0.00 0.00 53.44 53.24 2kdc n ALA 99 Cb 1.01 -0.24 0.99 0.00 0.00 0.00 0.00 19.45 21.21 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 -0.75 1.37 0.56 0.00 0.00 -0.65 -2.29 119.26 117.50 2kdc h ALA 100 Ca -0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2kdc h ALA 100 Cb 1.18 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kdc h ALA 100 CO -0.20 -0.16 -0.27 0.28 0.00 0.00 0.00 179.25 178.91 2kdc h VAL 101 N 0.00 0.16 -0.55 0.00 2.07 0.19 0.80 116.25 118.91 2kdc h VAL 101 Ca 0.03 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.20 2kdc h VAL 101 Cb 0.28 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 2kdc h VAL 101 CO -0.00 0.03 0.10 -0.07 0.02 0.00 0.00 177.57 177.65 2kdc h LEU 102 N -1.13 -0.02 -0.95 2.57 -0.00 -1.57 0.11 115.31 114.32 2kdc h LEU 102 Ca -0.08 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2kdc h LEU 102 Cb 0.62 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.42 2kdc h LEU 102 CO 0.13 0.01 -0.09 0.40 -0.00 0.00 0.00 178.44 178.89 2kdc h ILE 103 N 0.24 0.19 -0.93 1.22 1.08 -1.47 -3.24 117.51 114.59 2kdc h ILE 103 Ca 0.28 -0.88 0.26 0.00 -0.39 0.00 0.00 64.86 64.14 2kdc h ILE 103 Cb 0.40 1.74 -0.17 0.00 -3.07 0.00 0.00 36.82 35.73 2kdc h ILE 103 CO -0.37 0.08 0.13 0.00 -0.69 0.00 0.00 178.15 177.30 2kdc h ALA 104 N 1.91 1.25 -0.45 1.87 0.00 0.33 1.78 119.26 125.96 2kdc h ALA 104 Ca -0.00 0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2kdc h ALA 104 Cb 0.74 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kdc h ALA 104 CO 0.01 -0.56 -0.28 0.97 0.00 0.00 0.00 179.25 179.39 2kdc h ILE 105 N 0.07 1.27 0.28 0.00 2.10 -1.65 -2.03 117.51 117.56 2kdc h ILE 105 Ca 0.59 -1.46 -0.01 0.00 1.08 0.00 0.00 64.86 65.06 2kdc h ILE 105 Cb 1.24 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2kdc h ILE 105 CO -0.81 0.50 -0.13 0.40 -1.08 0.00 0.00 178.15 177.03 2kdc h ILE 106 N 0.83 0.00 0.00 2.19 2.04 0.11 -3.15 117.51 119.52 2kdc h ILE 106 Ca 0.09 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2kdc h ILE 106 Cb 0.87 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2kdc h ILE 106 CO 0.08 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.75 2kdc n VAL 107 N -4.14 0.00 -0.37 1.67 0.31 0.51 0.19 118.33 116.51 2kdc n VAL 107 Ca -0.05 1.35 0.30 0.00 -0.01 0.00 0.00 64.34 65.94 2kdc n VAL 107 Cb 0.15 -2.09 0.49 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.02 1.03 -0.54 3.52 0.00 -0.76 0.12 120.51 121.87 2kdc n ALA 108 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kdc n ALA 108 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.90 0.00 -0.32 0.00 0.31 -0.45 -3.83 118.33 110.14 2kdc n VAL 109 Ca 0.29 0.23 0.18 0.00 -0.01 0.00 0.00 64.34 65.03 2kdc n VAL 109 Cb 1.16 -1.06 0.38 0.00 -0.91 0.00 0.00 33.84 33.40 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 0.34 -0.91 2.52 5.03 0.25 0.61 117.51 125.35 2kdc h ILE 110 Ca 0.00 -0.11 0.02 0.00 -0.12 0.00 0.00 64.86 64.65 2kdc h ILE 110 Cb 0.00 0.01 -0.05 0.00 -3.03 0.00 0.00 36.82 33.75 2kdc h ILE 110 CO 0.00 0.06 0.60 0.74 -0.68 0.00 0.00 178.15 178.87 2kdc h THR 111 N 0.31 1.20 0.00 -0.27 2.02 0.87 -0.79 112.91 116.25 2kdc h THR 111 Ca 0.64 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 67.28 2kdc h THR 111 Cb 1.35 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2kdc h THR 111 CO -0.61 0.22 -0.58 -0.25 0.37 0.00 0.00 175.52 174.67 2kdc h TRP 112 N 1.20 0.00 0.56 3.16 2.91 -0.01 -2.04 115.95 121.73 2kdc h TRP 112 Ca 0.35 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.34 2kdc h TRP 112 Cb -0.09 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 28.57 2kdc h TRP 112 CO -0.01 0.58 -0.27 0.00 -1.03 0.00 0.00 178.44 177.71 2kdc h ILE 114 N -1.05 1.26 -0.44 0.00 6.09 -1.26 -1.89 117.51 120.21 2kdc h ILE 114 Ca -0.08 -0.79 0.09 0.00 -1.37 0.00 0.00 64.86 62.71 2kdc h ILE 114 Cb 0.65 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.25 2kdc h ILE 114 CO 0.13 0.33 0.30 0.25 -3.07 0.00 0.00 178.15 176.09 2kdc h LEU 115 N 1.11 0.18 -0.26 2.19 5.85 -1.39 -0.15 115.31 122.85 2kdc h LEU 115 Ca 0.26 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.79 2kdc h LEU 115 Cb 0.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2kdc h LEU 115 CO -0.02 0.11 -0.58 0.25 -0.34 0.00 0.00 178.44 177.86 2kdc h LEU 116 N 0.20 0.96 -2.75 2.25 6.46 -0.77 -2.83 115.31 118.83 2kdc h LEU 116 Ca 0.20 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2kdc h LEU 116 Cb 0.54 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2kdc h LEU 116 CO -0.03 1.33 0.02 -0.25 -0.62 0.00 0.00 178.44 178.89 2kdc h TRP 117 N 0.62 0.00 -0.09 1.25 2.91 -0.68 -0.06 115.95 119.91 2kdc h TRP 117 Ca 0.00 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.90 2kdc h TRP 117 Cb 1.19 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 2kdc h TRP 117 CO 0.08 0.00 -0.49 0.77 -1.03 0.00 0.00 178.44 177.77 2kdc h SER 118 N 0.00 0.25 -0.64 2.65 0.02 -1.19 -3.07 113.55 111.58 2kdc h SER 118 Ca 0.00 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2kdc h SER 118 Cb 0.04 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2kdc h SER 118 CO -0.00 0.71 0.24 0.45 -1.14 0.00 0.00 176.83 177.09 2kdc h HIS 119 N 0.19 0.98 -2.46 3.45 3.86 -1.07 -3.45 115.15 116.64 2kdc h HIS 119 Ca 0.01 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 2kdc h HIS 119 Cb 0.94 -0.29 -0.22 0.00 1.06 0.00 0.00 27.41 28.90 2kdc h HIS 119 CO 0.02 0.78 -0.07 0.12 0.86 0.00 0.00 177.93 179.63 2kdc s PHE 120 N -5.53 -0.53 0.00 2.45 5.36 -1.16 -5.17 117.98 113.40 2kdc s PHE 120 Ca -0.13 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 2kdc s PHE 120 Cb 0.13 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 2kdc s PHE 120 CO 0.81 -0.36 0.00 0.41 -1.46 0.00 0.00 175.22 174.62