#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 -0.11 -3.63 0.00 2.35 -2.11 -3.44 115.58 108.64 2kdc h ASN 2 Ca 0.00 -0.46 -0.51 0.00 -0.55 0.00 0.00 56.30 54.78 2kdc h ASN 2 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2kdc h ASN 2 CO 0.00 0.54 0.46 0.20 -1.65 0.00 0.00 177.43 176.98 2kdc s ASN 3 N -5.67 7.32 -0.28 5.81 -0.87 -1.26 -5.03 114.94 114.96 2kdc s ASN 3 Ca -0.13 2.09 -0.16 0.00 -1.57 0.00 0.00 52.86 53.10 2kdc s ASN 3 Cb -0.00 -2.61 0.09 0.00 -0.02 0.00 0.00 41.25 38.71 2kdc s ASN 3 CO 0.47 -0.16 0.73 -0.89 -2.57 0.00 0.00 177.10 174.69 2kdc s THR 4 N -0.50 -0.02 0.00 1.60 2.01 -1.26 -5.00 115.64 112.48 2kdc s THR 4 Ca 0.47 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2kdc s THR 4 Cb -0.29 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2kdc s THR 4 CO 0.35 0.00 0.00 1.07 -0.69 0.00 0.00 174.62 175.35 2kdc n THR 5 N 4.25 0.00 0.00 -0.82 5.66 -1.26 -5.01 114.28 117.10 2kdc n THR 5 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2kdc n THR 5 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 2kdc n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kdc n GLY 6 N -0.24 0.00 0.29 1.09 0.00 -1.26 -5.02 105.19 100.05 2kdc n GLY 6 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2kdc n GLY 6 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2kdc h PHE 7 N 0.00 0.59 -0.37 1.61 -0.00 -1.95 -2.05 116.94 114.78 2kdc h PHE 7 Ca 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.85 2kdc h PHE 7 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 35.75 2kdc h PHE 7 CO 0.00 0.47 -0.17 1.15 -0.00 0.00 0.00 178.31 179.77 2kdc h THR 8 N 0.59 1.26 -0.81 0.88 2.02 -1.99 -2.20 112.91 112.66 2kdc h THR 8 Ca 0.14 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.12 2kdc h THR 8 Cb 0.14 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2kdc h THR 8 CO -0.01 0.40 0.53 -0.09 0.37 0.00 0.00 175.52 176.73 2kdc h ARG 9 N 0.61 1.06 0.01 6.66 2.43 -1.78 0.67 114.38 124.05 2kdc h ARG 9 Ca 0.10 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2kdc h ARG 9 Cb 0.63 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2kdc h ARG 9 CO 0.04 0.70 -0.01 0.82 -1.51 0.00 0.00 179.97 180.02 2kdc h ILE 10 N 1.09 1.26 -0.13 1.20 2.04 -1.33 0.54 117.51 122.18 2kdc h ILE 10 Ca 0.30 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2kdc h ILE 10 Cb -0.12 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2kdc h ILE 10 CO -0.07 0.21 0.07 0.40 0.00 0.00 0.00 178.15 178.77 2kdc h ILE 11 N -0.37 1.11 -0.23 -0.67 2.04 -1.17 -1.93 117.51 116.28 2kdc h ILE 11 Ca -0.00 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2kdc h ILE 11 Cb 0.36 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2kdc h ILE 11 CO 0.00 0.10 -0.16 0.50 0.00 0.00 0.00 178.15 178.59 2kdc h LYS 12 N 0.11 0.39 -0.83 2.37 3.64 0.34 0.38 116.57 122.97 2kdc h LYS 12 Ca 0.05 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2kdc h LYS 12 Cb 0.09 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 2kdc h LYS 12 CO -0.01 0.54 0.49 0.00 -2.27 0.00 0.00 179.45 178.20 2kdc h ALA 13 N 1.48 1.06 0.15 5.00 0.00 0.55 -2.94 119.26 124.55 2kdc h ALA 13 Ca 0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 2kdc h ALA 13 Cb 0.49 -0.33 0.03 0.00 0.00 0.00 0.00 17.79 17.98 2kdc h ALA 13 CO 0.03 0.53 -1.15 0.00 0.00 0.00 0.00 179.25 178.67 2kdc h ALA 14 N 1.26 -0.06 -5.20 0.00 0.00 -1.01 -3.49 119.26 110.75 2kdc h ALA 14 Ca 0.29 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 2kdc h ALA 14 Cb -0.02 0.12 0.12 0.00 0.00 0.00 0.00 17.79 18.00 2kdc h ALA 14 CO -0.05 0.58 -0.50 0.41 0.00 0.00 0.00 179.25 179.69 2kdc n GLY 15 N 1.49 -1.04 0.02 0.00 0.00 0.09 -4.96 105.19 100.80 2kdc n GLY 15 Ca -0.14 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.36 2kdc n GLY 15 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kdc n TYR 16 N -2.58 0.00 -0.07 1.61 4.11 -1.26 -4.77 117.16 114.20 2kdc n TYR 16 Ca -0.04 -0.32 0.16 0.00 -0.00 0.00 0.00 57.90 57.71 2kdc n TYR 16 Cb 0.57 -0.04 0.58 0.00 -0.00 0.00 0.00 39.34 40.45 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 0.00 0.22 -0.58 9.48 0.87 -1.93 -0.72 113.55 120.90 2kdc h SER 17 Ca 0.00 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2kdc h SER 17 Cb 0.75 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 2kdc h SER 17 CO 0.00 0.12 0.34 -0.50 -0.53 0.00 0.00 176.83 176.27 2kdc h TRP 18 N 0.24 0.64 -0.42 2.24 4.06 -2.00 0.69 115.95 121.40 2kdc h TRP 18 Ca 0.30 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 61.16 2kdc h TRP 18 Cb 0.83 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 2kdc h TRP 18 CO -0.00 0.36 -0.17 -0.22 -3.56 0.00 0.00 178.44 174.84 2kdc h LYS 19 N 0.67 0.80 0.00 0.49 3.64 -1.51 -2.18 116.57 118.48 2kdc h LYS 19 Ca 0.24 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2kdc h LYS 19 Cb 0.05 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kdc h LYS 19 CO -0.11 0.92 0.00 0.41 -2.27 0.00 0.00 179.45 178.40 2kdc n GLY 20 N -0.31 -1.13 0.07 5.01 0.00 -0.83 -3.49 105.19 104.51 2kdc n GLY 20 Ca 0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 0.07 -1.10 0.99 5.85 -0.20 -2.57 115.31 118.34 2kdc h LEU 21 Ca 0.00 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.11 2kdc h LEU 21 Cb 0.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2kdc h LEU 21 CO 0.00 0.59 -0.37 0.03 -0.34 0.00 0.00 178.44 178.35 2kdc h ARG 22 N -0.45 0.00 0.00 1.25 3.08 -1.66 -2.70 114.38 113.90 2kdc h ARG 22 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2kdc h ARG 22 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2kdc h ARG 22 CO 0.01 0.37 -0.40 0.00 -1.07 0.00 0.00 179.97 178.87 2kdc h ALA 23 N 1.63 1.15 -0.06 0.04 0.00 -1.60 -3.15 119.26 117.27 2kdc h ALA 23 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2kdc h ALA 23 Cb 0.80 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kdc h ALA 23 CO 0.05 0.51 -0.08 0.00 0.00 0.00 0.00 179.25 179.73 2kdc h ALA 24 N 1.60 0.09 -0.99 0.00 0.00 -1.11 -1.83 119.26 117.01 2kdc h ALA 24 Ca -0.00 -0.30 0.33 0.00 0.00 0.00 0.00 54.91 54.93 2kdc h ALA 24 Cb 0.81 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.40 2kdc h ALA 24 CO 0.05 -0.09 0.23 2.35 0.00 0.00 0.00 179.25 181.79 2kdc h TRP 25 N -0.31 0.30 0.00 0.00 2.91 -1.52 1.50 115.95 118.83 2kdc h TRP 25 Ca 0.01 0.06 -0.20 0.00 1.13 0.00 0.00 58.89 59.88 2kdc h TRP 25 Cb 0.61 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.26 2kdc h TRP 25 CO 0.10 -0.44 -1.11 -0.84 -1.03 0.00 0.00 178.44 175.12 2kdc h ILE 26 N 0.02 1.23 -1.16 2.65 3.07 -1.65 0.38 117.51 122.05 2kdc h ILE 26 Ca 0.69 -2.88 -0.65 0.00 1.55 0.00 0.00 64.86 63.57 2kdc h ILE 26 Cb 1.61 2.58 -0.34 0.00 -0.27 0.00 0.00 36.82 40.40 2kdc h ILE 26 CO -0.86 0.70 0.28 -3.20 -1.05 0.00 0.00 178.15 174.02 2kdc n ASN 27 N -3.21 6.61 0.00 2.16 5.15 0.44 -4.41 115.26 122.00 2kdc n ASN 27 Ca -0.05 -3.78 0.00 0.00 -0.60 0.00 0.00 54.58 50.15 2kdc n ASN 27 Cb 0.92 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 2kdc n ASN 27 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kdc n GLU 28 N -0.75 0.00 0.00 1.20 2.13 0.30 -4.79 120.64 118.74 2kdc n GLU 28 Ca 0.54 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.37 2kdc n GLU 28 Cb 0.67 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.47 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 -2.03 1.69 -0.31 4.31 0.00 -1.14 -3.81 120.51 119.21 2kdc n ALA 29 Ca 0.00 -0.02 0.29 0.00 0.00 0.00 0.00 53.44 53.71 2kdc n ALA 29 Cb 0.00 -1.05 0.52 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.78 0.96 0.08 0.00 0.00 0.13 0.17 120.51 121.07 2kdc n ALA 30 Ca 0.02 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 2kdc n ALA 30 Cb 0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 2kdc n ALA 30 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2kdc h PHE 31 N 0.00 -0.16 -0.85 0.00 -1.00 -1.85 -2.92 116.94 110.16 2kdc h PHE 31 Ca 0.73 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.55 2kdc h PHE 31 Cb 2.06 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 41.63 2kdc h PHE 31 CO -0.01 0.10 0.56 0.00 -1.61 0.00 0.00 178.31 177.35 2kdc h ARG 32 N -0.41 1.01 0.00 1.51 3.08 0.15 0.14 114.38 119.85 2kdc h ARG 32 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2kdc h ARG 32 Cb 0.33 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2kdc h ARG 32 CO 0.03 0.67 0.00 0.94 -1.07 0.00 0.00 179.97 180.54 2kdc n GLN 33 N -4.45 0.00 -0.08 0.04 7.27 0.33 0.17 117.38 120.65 2kdc n GLN 33 Ca 0.11 0.44 -0.15 0.00 0.07 0.00 0.00 57.00 57.48 2kdc n GLN 33 Cb 0.12 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.20 2kdc n GLN 33 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2kdc n GLU 34 N -1.44 0.37 0.11 3.69 -0.58 0.34 -3.80 120.64 119.33 2kdc n GLU 34 Ca 0.00 0.13 -0.13 0.00 -0.42 0.00 0.00 57.16 56.74 2kdc n GLU 34 Cb 0.00 -1.20 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 2kdc n GLU 34 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2kdc h GLY 35 N 0.25 -0.32 0.73 0.62 0.00 -0.48 -3.04 103.07 100.83 2kdc h GLY 35 Ca -0.39 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.13 2kdc h GLY 35 CO -0.16 -0.12 0.62 -2.08 0.00 0.00 0.00 176.54 174.81 2kdc h VAL 36 N -0.71 1.05 0.00 4.60 2.07 0.14 0.22 116.25 123.62 2kdc h VAL 36 Ca -0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2kdc h VAL 36 Cb 0.49 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2kdc h VAL 36 CO 0.05 0.20 0.05 0.00 0.02 0.00 0.00 177.57 177.89 2kdc n ALA 37 N -2.38 0.99 0.33 1.67 0.00 -1.15 0.12 120.51 120.10 2kdc n ALA 37 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.70 2kdc n ALA 37 Cb 0.22 -0.87 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.28 0.00 -0.08 0.00 0.31 0.79 -3.95 118.33 114.12 2kdc n VAL 38 Ca 0.00 -0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 63.91 2kdc n VAL 38 Cb 0.05 0.36 -0.05 0.00 -0.91 0.00 0.00 33.84 33.28 2kdc n VAL 38 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2kdc h LEU 39 N 0.00 0.00 -0.73 7.52 4.07 0.90 -3.26 115.31 123.82 2kdc h LEU 39 Ca 0.00 -0.21 0.03 0.00 0.08 0.00 0.00 57.88 57.78 2kdc h LEU 39 Cb 0.81 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.50 2kdc h LEU 39 CO 0.00 0.96 0.46 -0.07 -1.08 0.00 0.00 178.44 178.71 2kdc h LEU 40 N -1.00 0.77 -1.11 1.67 4.07 -1.68 1.08 115.31 119.11 2kdc h LEU 40 Ca -0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2kdc h LEU 40 Cb 0.71 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.25 2kdc h LEU 40 CO -0.06 0.54 0.40 0.00 -1.08 0.00 0.00 178.44 178.23 2kdc h ALA 41 N 1.30 1.32 0.06 1.53 0.00 -1.76 -2.32 119.26 119.39 2kdc h ALA 41 Ca 0.29 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.72 2kdc h ALA 41 Cb -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2kdc h ALA 41 CO -0.10 0.56 -2.16 1.33 0.00 0.00 0.00 179.25 178.88 2kdc n VAL 42 N -4.36 1.64 -0.12 0.00 0.24 -0.97 -3.89 118.33 110.87 2kdc n VAL 42 Ca 0.07 -0.66 -0.08 0.00 -2.04 0.00 0.00 64.34 61.63 2kdc n VAL 42 Cb 0.10 -1.46 -0.00 0.00 -1.47 0.00 0.00 33.84 31.01 2kdc n VAL 42 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2kdc h VAL 43 N 0.04 1.09 -0.35 3.34 2.07 0.12 0.97 116.25 123.52 2kdc h VAL 43 Ca -0.47 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2kdc h VAL 43 Cb 2.00 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2kdc h VAL 43 CO 0.02 0.09 0.20 0.40 0.02 0.00 0.00 177.57 178.31 2kdc h ILE 44 N 0.50 1.12 -0.25 4.57 2.04 -1.58 0.26 117.51 124.16 2kdc h ILE 44 Ca 0.14 -0.30 -0.19 0.00 1.00 0.00 0.00 64.86 65.51 2kdc h ILE 44 Cb -0.05 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2kdc h ILE 44 CO -0.04 0.13 -0.60 0.00 0.00 0.00 0.00 178.15 177.64 2kdc h ALA 45 N 1.08 0.45 0.56 1.87 0.00 -1.61 -1.38 119.26 120.22 2kdc h ALA 45 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2kdc h ALA 45 Cb 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kdc h ALA 45 CO -0.02 0.68 -0.27 0.00 0.00 0.00 0.00 179.25 179.64 2kdc h TRP 47 N -0.91 -0.99 -0.93 0.00 4.06 -0.56 -3.43 115.95 113.20 2kdc h TRP 47 Ca -0.08 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2kdc h TRP 47 Cb 0.63 0.39 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2kdc h TRP 47 CO -0.01 -0.51 0.00 1.28 -3.56 0.00 0.00 178.44 175.64 2kdc n LEU 48 N -5.47 0.00 0.00 -4.49 4.77 -0.52 -5.09 117.00 106.20 2kdc n LEU 48 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2kdc n LEU 48 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2kdc n LEU 48 CO 0.28 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.81 2kdc n ASP 49 N 0.00 0.00 -3.54 -1.43 8.00 -1.25 -4.78 116.55 113.55 2kdc n ASP 49 Ca 0.00 -0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 2kdc n ASP 49 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2kdc n ASP 49 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kdc s VAL 50 N 0.84 0.02 0.00 2.53 0.11 -1.26 -4.47 120.40 118.18 2kdc s VAL 50 Ca 0.00 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2kdc s VAL 50 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2kdc s VAL 50 CO 0.00 -0.11 0.00 0.47 -3.33 0.00 0.00 175.10 172.13 2kdc n ASP 51 N 0.20 3.85 -4.08 3.54 8.00 -1.26 -5.15 116.55 121.65 2kdc n ASP 51 Ca -0.18 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.96 2kdc n ASP 51 Cb 0.61 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.78 2kdc n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdc n ALA 52 N -3.00 -5.21 -2.24 2.24 0.00 -1.26 -4.95 120.51 106.10 2kdc n ALA 52 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 53.44 52.33 2kdc n ALA 52 Cb 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.37 2kdc n ALA 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2kdc n ILE 53 N -3.41 0.00 -0.33 0.00 -0.00 -1.26 -4.87 119.36 109.49 2kdc n ILE 53 Ca -0.01 -0.48 0.36 0.00 -0.00 0.00 0.00 62.75 62.62 2kdc n ILE 53 Cb 0.67 0.74 0.67 0.00 -0.00 0.00 0.00 39.64 41.71 2kdc n ILE 53 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 2kdc h THR 54 N 6.97 0.15 -0.93 7.28 1.35 -2.03 1.55 112.91 127.25 2kdc h THR 54 Ca -0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 2kdc h THR 54 Cb 1.64 0.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.21 2kdc h THR 54 CO 0.05 0.00 0.55 0.08 -0.25 0.00 0.00 175.52 175.95 2kdc h ARG 55 N 0.00 1.27 -0.98 4.72 0.11 -2.01 -2.23 114.38 115.26 2kdc h ARG 55 Ca 0.59 -0.12 0.24 0.00 0.10 0.00 0.00 59.98 60.79 2kdc h ARG 55 Cb 2.73 -0.26 -0.13 0.00 1.11 0.00 0.00 29.97 33.43 2kdc h ARG 55 CO -0.01 0.90 0.55 0.28 0.10 0.00 0.00 179.97 181.80 2kdc h VAL 56 N 1.29 0.51 -0.63 0.08 2.07 0.18 0.17 116.25 119.92 2kdc h VAL 56 Ca 0.33 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.80 2kdc h VAL 56 Cb -0.04 -0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 29.56 2kdc h VAL 56 CO -0.06 0.10 0.02 0.25 0.02 0.00 0.00 177.57 177.89 2kdc h LEU 57 N 0.54 -0.25 -0.92 2.57 5.85 -1.50 1.70 115.31 123.30 2kdc h LEU 57 Ca 0.63 0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.60 2kdc h LEU 57 Cb 1.21 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.43 2kdc h LEU 57 CO -0.49 -0.11 0.56 -0.07 -0.34 0.00 0.00 178.44 177.99 2kdc h LEU 58 N 0.13 0.85 0.09 2.25 4.07 -0.78 0.31 115.31 122.22 2kdc h LEU 58 Ca 0.33 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.32 2kdc h LEU 58 Cb 0.54 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2kdc h LEU 58 CO -0.53 0.49 -0.04 0.40 -1.08 0.00 0.00 178.44 177.68 2kdc h ILE 59 N 0.95 0.75 -0.68 1.22 5.03 -0.41 -2.91 117.51 121.46 2kdc h ILE 59 Ca 0.43 -1.35 0.15 0.00 -0.12 0.00 0.00 64.86 63.97 2kdc h ILE 59 Cb 0.34 1.35 -0.11 0.00 -3.03 0.00 0.00 36.82 35.36 2kdc h ILE 59 CO -0.23 0.23 0.01 -1.28 -0.68 0.00 0.00 178.15 176.20 2kdc h SER 60 N -0.96 -0.29 0.46 1.72 0.87 0.26 0.64 113.55 116.24 2kdc h SER 60 Ca -0.01 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2kdc h SER 60 Cb 0.47 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2kdc h SER 60 CO 0.02 -0.13 -0.22 0.77 -0.53 0.00 0.00 176.83 176.74 2kdc h SER 61 N 0.12 -0.52 -0.20 6.23 4.64 -0.52 -2.99 113.55 120.31 2kdc h SER 61 Ca 0.36 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.76 2kdc h SER 61 Cb 0.60 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2kdc h SER 61 CO -0.58 -0.30 0.27 -0.37 -0.87 0.00 0.00 176.83 174.98 2kdc h VAL 62 N -0.75 0.34 -0.52 0.95 -1.51 -1.31 0.15 116.25 113.60 2kdc h VAL 62 Ca -0.06 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.53 2kdc h VAL 62 Cb 0.47 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 2kdc h VAL 62 CO 0.10 0.00 0.36 -0.03 -1.23 0.00 0.00 177.57 176.77 2kdc h MET 63 N 0.00 0.13 -0.76 5.19 4.05 0.46 0.43 114.93 124.43 2kdc h MET 63 Ca 0.09 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2kdc h MET 63 Cb 0.63 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 2kdc h MET 63 CO -0.00 0.09 0.39 -0.07 0.23 0.00 0.00 176.91 177.54 2kdc h LEU 64 N 0.14 0.98 -0.92 3.39 -0.00 -0.76 0.29 115.31 118.43 2kdc h LEU 64 Ca 0.25 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 2kdc h LEU 64 Cb 0.79 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2kdc h LEU 64 CO -0.03 0.83 -0.10 0.58 -0.00 0.00 0.00 178.44 179.72 2kdc h VAL 65 N 1.07 1.25 -0.29 1.22 2.07 -0.34 -2.32 116.25 118.92 2kdc h VAL 65 Ca 0.26 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 2kdc h VAL 65 Cb 0.09 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2kdc h VAL 65 CO -0.04 0.37 -0.21 0.24 0.02 0.00 0.00 177.57 177.95 2kdc h MET 66 N 0.63 0.54 -0.46 1.57 2.86 0.10 0.88 114.93 121.05 2kdc h MET 66 Ca 0.11 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2kdc h MET 66 Cb 0.54 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2kdc h MET 66 CO 0.03 0.72 0.30 0.82 1.06 0.00 0.00 176.91 179.85 2kdc h ILE 67 N 0.48 1.12 0.00 -1.22 2.04 0.09 1.74 117.51 121.77 2kdc h ILE 67 Ca 0.08 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 2kdc h ILE 67 Cb 0.64 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2kdc h ILE 67 CO 0.05 0.12 -1.16 0.55 0.00 0.00 0.00 178.15 177.71 2kdc n VAL 68 N -4.46 0.71 -0.07 1.67 3.14 -0.98 -3.40 118.33 114.94 2kdc n VAL 68 Ca 0.04 -0.58 -0.06 0.00 -2.96 0.00 0.00 64.34 60.78 2kdc n VAL 68 Cb 0.06 -0.41 -0.02 0.00 -1.06 0.00 0.00 33.84 32.41 2kdc n VAL 68 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2kdc n GLU 69 N -2.70 0.43 0.33 1.45 2.13 0.27 -3.81 120.64 118.75 2kdc n GLU 69 Ca -0.03 0.40 -0.15 0.00 0.66 0.00 0.00 57.16 58.04 2kdc n GLU 69 Cb 0.62 -1.52 -0.08 0.00 0.27 0.00 0.00 31.44 30.73 2kdc n GLU 69 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kdc h ILE 70 N -0.91 0.18 -0.88 6.31 2.04 0.24 -2.77 117.51 121.72 2kdc h ILE 70 Ca 0.00 -0.32 0.20 0.00 1.00 0.00 0.00 64.86 65.75 2kdc h ILE 70 Cb 0.61 0.24 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 2kdc h ILE 70 CO 0.00 0.02 0.39 0.25 0.00 0.00 0.00 178.15 178.81 2kdc h LEU 71 N -1.13 0.35 0.00 1.44 6.46 -1.48 2.59 115.31 123.55 2kdc h LEU 71 Ca -0.09 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2kdc h LEU 71 Cb 0.70 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2kdc h LEU 71 CO 0.14 0.03 0.00 0.59 -0.62 0.00 0.00 178.44 178.59 2kdc n ASN 72 N -5.02 0.00 -0.10 1.25 4.13 -1.16 -1.84 115.26 112.51 2kdc n ASN 72 Ca 0.21 0.36 -0.21 0.00 1.68 0.00 0.00 54.58 56.62 2kdc n ASN 72 Cb 0.61 -0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 38.34 2kdc n ASN 72 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kdc n SER 73 N -1.40 1.87 0.13 6.41 2.88 0.86 -3.76 113.62 120.61 2kdc n SER 73 Ca 0.02 0.44 -0.13 0.00 -1.33 0.00 0.00 58.87 57.87 2kdc n SER 73 Cb 0.07 -0.94 -0.07 0.00 -0.75 0.00 0.00 64.21 62.52 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 -0.62 -0.31 -1.00 -1.46 0.00 -0.64 1.66 119.26 116.90 2kdc h ALA 74 Ca -0.35 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 54.76 2kdc h ALA 74 Cb 1.25 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.15 2kdc h ALA 74 CO -0.21 -0.69 0.65 -0.84 0.00 0.00 0.00 179.25 178.16 2kdc h ILE 75 N -0.33 0.59 0.00 0.00 3.07 -1.58 0.26 117.51 119.52 2kdc h ILE 75 Ca -0.00 -0.15 -0.24 0.00 1.55 0.00 0.00 64.86 66.02 2kdc h ILE 75 Cb 0.31 0.12 -0.04 0.00 -0.27 0.00 0.00 36.82 36.93 2kdc h ILE 75 CO -0.02 0.08 -1.32 -0.08 -1.05 0.00 0.00 178.15 175.75 2kdc h GLU 76 N 0.43 0.00 0.42 0.16 4.22 -1.30 -3.32 114.58 115.20 2kdc h GLU 76 Ca 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.98 2kdc h GLU 76 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2kdc h GLU 76 CO -0.27 0.68 -0.26 0.00 -2.18 0.00 0.00 179.01 176.99 2kdc h ALA 77 N 1.06 -0.64 -0.62 2.92 0.00 0.60 1.33 119.26 123.90 2kdc h ALA 77 Ca -0.15 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.81 2kdc h ALA 77 Cb 1.84 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 2kdc h ALA 77 CO 0.10 -0.87 0.44 -0.24 0.00 0.00 0.00 179.25 178.68 2kdc h VAL 78 N -0.65 0.70 0.00 0.00 3.04 -1.51 1.21 116.25 119.04 2kdc h VAL 78 Ca -0.05 -0.01 -0.09 0.00 -1.01 0.00 0.00 66.70 65.54 2kdc h VAL 78 Cb 0.53 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 2kdc h VAL 78 CO 0.05 0.00 -0.62 0.58 -1.01 0.00 0.00 177.57 176.58 2kdc h VAL 79 N 0.03 0.63 0.00 1.51 2.07 -1.31 -3.44 116.25 115.74 2kdc h VAL 79 Ca 0.30 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2kdc h VAL 79 Cb 1.15 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2kdc h VAL 79 CO -0.01 0.36 0.00 -0.67 0.02 0.00 0.00 177.57 177.27 2kdc n ASP 80 N -3.12 0.00 -0.10 0.57 2.03 0.44 -5.01 116.55 111.37 2kdc n ASP 80 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.11 2kdc n ASP 80 Cb 0.71 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.03 2kdc n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kdc n ARG 81 N 0.00 0.46 -0.97 -0.67 1.74 -1.05 -5.03 116.66 111.14 2kdc n ARG 81 Ca 0.00 0.18 -0.36 0.00 -0.77 0.00 0.00 57.85 56.90 2kdc n ARG 81 Cb 0.00 -1.29 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 2kdc n ARG 81 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2kdc n ILE 82 N -3.73 0.00 0.00 0.55 -0.00 -1.18 -4.75 119.36 110.25 2kdc n ILE 82 Ca -0.40 -0.38 0.00 0.00 -0.00 0.00 0.00 62.75 61.96 2kdc n ILE 82 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.46 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 3.41 0.81 2.42 7.39 0.00 -1.26 -4.39 105.19 113.57 2kdc n GLY 83 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2kdc n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kdc s SER 84 N -1.49 1.35 -0.32 1.61 1.04 -1.26 -5.10 113.70 109.53 2kdc s SER 84 Ca 0.00 -2.90 -0.20 0.00 0.48 0.00 0.00 55.95 53.32 2kdc s SER 84 Cb 0.00 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 2kdc s SER 84 CO 0.00 -0.18 0.64 -1.61 0.98 0.00 0.00 173.24 173.07 2kdc s GLU 85 N 0.21 3.82 0.17 4.02 8.01 -1.26 -4.92 118.70 128.75 2kdc s GLU 85 Ca 0.31 0.22 0.14 0.00 0.01 0.00 0.00 54.97 55.65 2kdc s GLU 85 Cb 0.01 -3.76 -0.06 0.00 -4.31 0.00 0.00 34.13 26.02 2kdc s GLU 85 CO -0.17 -0.64 1.18 -0.92 0.01 0.00 0.00 175.26 174.72 2kdc h TYR 86 N 8.29 0.00 0.00 1.61 5.03 -2.08 -3.36 116.97 126.45 2kdc h TYR 86 Ca -0.26 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 60.96 2kdc h TYR 86 Cb 1.11 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 2kdc h TYR 86 CO 0.76 0.63 -0.49 1.12 -1.32 0.00 0.00 178.16 178.85 2kdc h HIS 87 N 0.00 0.00 -1.31 -3.82 2.07 -2.07 -3.47 115.15 106.55 2kdc h HIS 87 Ca -0.07 0.00 -0.68 0.00 -2.85 0.00 0.00 60.37 56.77 2kdc h HIS 87 Cb 1.54 0.00 0.09 0.00 2.57 0.00 0.00 27.41 31.62 2kdc h HIS 87 CO 0.00 1.03 -0.23 -1.91 -3.07 0.00 0.00 177.93 173.75 2kdc n GLU 88 N -4.56 0.32 0.00 5.12 2.13 -1.26 -4.68 120.64 117.71 2kdc n GLU 88 Ca -0.17 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2kdc n GLU 88 Cb 0.50 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 1.81 0.00 -2.13 4.31 7.94 -1.26 -4.99 117.00 122.68 2kdc n LEU 89 Ca 0.17 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.89 2kdc n LEU 89 Cb 0.23 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.12 2kdc n LEU 89 CO 0.58 0.00 1.46 -1.20 -1.11 0.00 0.00 177.39 177.12 2kdc n SER 90 N -0.18 6.03 -1.38 1.96 7.64 -1.26 -4.97 113.62 121.47 2kdc n SER 90 Ca 0.00 -2.90 0.17 0.00 1.01 0.00 0.00 58.87 57.15 2kdc n SER 90 Cb 0.00 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 61.89 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 1.26 -2.86 0.15 0.23 0.00 -1.26 -3.79 105.19 98.92 2kdc n GLY 91 Ca 0.38 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.03 1.61 0.11 -2.00 -3.26 114.38 109.48 2kdc h ARG 92 Ca -0.12 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 2kdc h ARG 92 Cb 1.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.39 2kdc h ARG 92 CO 0.06 0.10 0.01 0.00 0.10 0.00 0.00 179.97 180.24 2kdc h ALA 93 N 1.85 0.04 -0.11 0.08 0.00 -2.03 -2.72 119.26 116.37 2kdc h ALA 93 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2kdc h ALA 93 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kdc h ALA 93 CO 0.01 -0.39 -0.29 -0.22 0.00 0.00 0.00 179.25 178.37 2kdc h LYS 94 N -0.10 0.19 -1.36 0.00 3.64 -1.68 -2.92 116.57 114.34 2kdc h LYS 94 Ca 0.01 -0.07 0.44 0.00 -1.27 0.00 0.00 60.65 59.76 2kdc h LYS 94 Cb 0.15 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.83 2kdc h LYS 94 CO -0.00 0.47 0.88 0.22 -2.27 0.00 0.00 179.45 178.75 2kdc h ASP 95 N 0.17 0.22 -0.07 4.20 3.58 -1.52 1.34 116.42 124.35 2kdc h ASP 95 Ca 0.03 0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 2kdc h ASP 95 Cb 0.61 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kdc h ASP 95 CO 0.04 -0.17 -0.34 0.24 -2.88 0.00 0.00 179.24 176.13 2kdc h MET 96 N 0.08 0.35 -0.57 0.28 2.86 -1.59 -3.25 114.93 113.09 2kdc h MET 96 Ca 0.82 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 58.09 2kdc h MET 96 Cb 2.64 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 34.34 2kdc h MET 96 CO -0.39 0.93 -0.01 0.78 1.06 0.00 0.00 176.91 179.28 2kdc h GLY 97 N -0.14 1.07 -0.31 8.32 0.00 0.11 -2.52 103.07 109.59 2kdc h GLY 97 Ca -0.02 -0.77 0.32 0.00 0.00 0.00 0.00 47.33 46.86 2kdc h GLY 97 CO 0.07 0.71 0.85 1.76 0.00 0.00 0.00 176.54 179.93 2kdc h SER 98 N 0.91 0.00 0.04 0.19 0.02 0.11 0.37 113.55 115.19 2kdc h SER 98 Ca 0.16 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.85 2kdc h SER 98 Cb 0.54 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2kdc h SER 98 CO 0.03 0.00 -1.40 0.00 -1.14 0.00 0.00 176.83 174.31 2kdc h ALA 99 N 1.34 0.29 0.00 3.77 0.00 -1.56 -3.34 119.26 119.76 2kdc h ALA 99 Ca 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2kdc h ALA 99 Cb 2.21 0.69 0.00 0.00 0.00 0.00 0.00 17.79 20.69 2kdc h ALA 99 CO -0.01 0.83 0.16 0.00 0.00 0.00 0.00 179.25 180.24 2kdc h ALA 100 N -0.31 1.16 0.32 0.00 0.00 -0.39 0.20 119.26 120.25 2kdc h ALA 100 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2kdc h ALA 100 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kdc h ALA 100 CO -0.11 -0.16 -0.16 0.28 0.00 0.00 0.00 179.25 179.10 2kdc h VAL 101 N 0.00 0.30 0.00 0.00 2.07 -0.52 0.28 116.25 118.38 2kdc h VAL 101 Ca 0.00 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 2kdc h VAL 101 Cb 0.33 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2kdc h VAL 101 CO 0.00 0.07 -0.53 -0.07 0.02 0.00 0.00 177.57 177.07 2kdc h LEU 102 N -1.04 0.00 -0.02 2.57 -0.00 -1.57 -2.97 115.31 112.29 2kdc h LEU 102 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.65 2kdc h LEU 102 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.09 2kdc h LEU 102 CO 0.07 0.53 -0.89 0.40 -0.00 0.00 0.00 178.44 178.55 2kdc h ILE 103 N 0.00 1.53 -0.90 1.22 5.03 -0.70 -3.31 117.51 120.38 2kdc h ILE 103 Ca -0.01 -3.15 0.08 0.00 -0.12 0.00 0.00 64.86 61.66 2kdc h ILE 103 Cb 0.97 2.75 -0.07 0.00 -3.03 0.00 0.00 36.82 37.44 2kdc h ILE 103 CO 0.07 0.87 0.56 0.00 -0.68 0.00 0.00 178.15 178.97 2kdc h ALA 104 N 1.11 1.26 -0.18 1.87 0.00 -0.27 0.71 119.26 123.77 2kdc h ALA 104 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kdc h ALA 104 Cb 1.67 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2kdc h ALA 104 CO 0.12 0.27 0.10 -0.84 0.00 0.00 0.00 179.25 178.90 2kdc h ILE 105 N 0.98 1.08 -0.00 0.00 3.07 -1.64 0.71 117.51 121.71 2kdc h ILE 105 Ca 0.41 -0.21 -0.17 0.00 1.55 0.00 0.00 64.86 66.44 2kdc h ILE 105 Cb 0.24 0.90 -0.02 0.00 -0.27 0.00 0.00 36.82 37.68 2kdc h ILE 105 CO -0.20 0.08 -0.79 0.16 -1.05 0.00 0.00 178.15 176.35 2kdc h ILE 106 N 0.20 1.54 0.00 0.16 3.07 -1.59 -3.11 117.51 117.78 2kdc h ILE 106 Ca 0.06 -2.63 0.00 0.00 1.55 0.00 0.00 64.86 63.84 2kdc h ILE 106 Cb 0.04 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2kdc h ILE 106 CO -0.01 0.76 0.00 0.52 -1.05 0.00 0.00 178.15 178.36 2kdc n VAL 107 N -3.63 0.00 -0.39 0.16 0.31 0.24 -1.76 118.33 113.26 2kdc n VAL 107 Ca -0.01 0.29 0.35 0.00 -0.01 0.00 0.00 64.34 64.95 2kdc n VAL 107 Cb 0.76 -0.88 0.54 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.40 1.25 -1.22 3.52 0.00 0.25 0.31 120.51 123.21 2kdc n ALA 108 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 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 -3.33 0.00 -0.40 0.00 0.31 -1.18 -3.94 118.33 109.79 2kdc n VAL 109 Ca 0.29 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.98 2kdc n VAL 109 Cb 1.57 -0.63 0.69 0.00 -0.91 0.00 0.00 33.84 34.56 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 0.33 0.33 2.52 1.08 -1.18 0.95 117.51 121.55 2kdc h ILE 110 Ca 0.00 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2kdc h ILE 110 Cb 0.00 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 2kdc h ILE 110 CO 0.00 0.02 -0.16 0.74 -0.69 0.00 0.00 178.15 178.06 2kdc h THR 111 N 0.10 0.69 -0.22 -0.27 2.02 -0.23 -1.92 112.91 113.08 2kdc h THR 111 Ca 0.67 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 67.55 2kdc h THR 111 Cb 2.36 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 2kdc h THR 111 CO -0.14 0.07 0.28 -0.50 0.37 0.00 0.00 175.52 175.60 2kdc h TRP 112 N -0.65 0.00 0.56 3.16 4.06 -0.94 -0.48 115.95 121.67 2kdc h TRP 112 Ca -0.05 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 2kdc h TRP 112 Cb 0.46 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.63 2kdc h TRP 112 CO -0.00 0.00 -0.27 0.00 -3.56 0.00 0.00 178.44 174.61 2kdc h ILE 114 N -1.02 1.22 -0.91 0.00 1.08 -0.90 -2.70 117.51 114.28 2kdc h ILE 114 Ca -0.08 -0.74 0.07 0.00 -0.39 0.00 0.00 64.86 63.72 2kdc h ILE 114 Cb 0.64 1.17 -0.06 0.00 -3.07 0.00 0.00 36.82 35.50 2kdc h ILE 114 CO 0.13 0.24 0.59 -0.07 -0.69 0.00 0.00 178.15 178.35 2kdc h LEU 115 N 0.29 0.91 -1.57 1.44 4.07 -1.19 0.85 115.31 120.12 2kdc h LEU 115 Ca 0.09 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.06 2kdc h LEU 115 Cb 0.30 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2kdc h LEU 115 CO 0.00 0.58 0.30 0.25 -1.08 0.00 0.00 178.44 178.50 2kdc h LEU 116 N 1.03 0.50 -0.47 1.67 5.85 -0.68 0.10 115.31 123.32 2kdc h LEU 116 Ca 0.39 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 59.01 2kdc h LEU 116 Cb 0.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2kdc h LEU 116 CO -0.15 0.36 -0.41 -0.50 -0.34 0.00 0.00 178.44 177.40 2kdc h TRP 117 N 0.60 0.00 -0.27 1.25 4.06 -0.59 -3.13 115.95 117.86 2kdc h TRP 117 Ca 0.17 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.97 2kdc h TRP 117 Cb -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2kdc h TRP 117 CO -0.00 0.41 -0.42 1.03 -3.56 0.00 0.00 178.44 175.90 2kdc h SER 118 N 0.00 0.72 -0.20 -3.49 0.87 0.25 -3.18 113.55 108.52 2kdc h SER 118 Ca -0.00 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 2kdc h SER 118 Cb 1.13 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2kdc h SER 118 CO 0.05 1.05 -0.01 0.45 -0.53 0.00 0.00 176.83 177.85 2kdc h HIS 119 N 0.55 0.40 -4.01 2.24 3.86 -1.35 -3.43 115.15 113.40 2kdc h HIS 119 Ca 0.04 -0.07 -0.49 0.00 -1.16 0.00 0.00 60.37 58.69 2kdc h HIS 119 Cb 0.96 -0.10 0.04 0.00 1.06 0.00 0.00 27.41 29.37 2kdc h HIS 119 CO 0.05 0.57 0.43 0.12 0.86 0.00 0.00 177.93 179.96 2kdc s PHE 120 N -4.93 3.02 0.00 2.45 5.36 -1.19 -5.15 117.98 117.54 2kdc s PHE 120 Ca -0.14 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 2kdc s PHE 120 Cb 0.07 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 2kdc s PHE 120 CO 0.73 -1.07 0.00 0.41 -1.46 0.00 0.00 175.22 173.84