#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6p s ARG 2 N 0.00 0.25 0.58 2.12 0.52 -1.26 -0.18 118.95 120.98 2k6p s ARG 2 Ca 0.00 -0.48 0.30 0.00 -0.52 0.00 0.00 55.73 55.03 2k6p s ARG 2 Cb 0.00 0.09 1.42 0.00 0.52 0.00 0.00 34.95 36.97 2k6p s ARG 2 CO 0.00 -0.04 1.80 0.97 0.02 0.00 0.00 175.30 178.05 2k6p h ILE 3 N 4.75 0.34 0.09 1.52 -0.00 -1.92 1.10 117.51 123.39 2k6p h ILE 3 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.55 2k6p h ILE 3 Cb 1.21 0.49 0.00 0.00 -0.00 0.00 0.00 36.82 38.52 2k6p h ILE 3 CO 0.43 0.00 -0.04 -2.24 -0.00 0.00 0.00 178.15 176.30 2k6p h ASP 4 N 0.00 -0.10 0.21 2.19 3.04 -1.88 -3.21 116.42 116.67 2k6p h ASP 4 Ca 0.34 -0.38 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2k6p h ASP 4 Cb 1.67 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.98 2k6p h ASP 4 CO -0.00 0.35 -0.26 0.29 -2.04 0.00 0.00 179.24 177.58 2k6p n LYS 5 N -4.94 0.91 -0.00 4.15 5.02 -0.06 -3.71 118.16 119.53 2k6p n LYS 5 Ca -0.09 -0.55 -0.00 0.00 -2.02 0.00 0.00 58.31 55.65 2k6p n LYS 5 Cb 0.24 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2k6p n LYS 5 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2k6p h PHE 6 N 1.35 0.00 0.00 2.13 3.04 0.11 -3.04 116.94 120.53 2k6p h PHE 6 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2k6p h PHE 6 Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.03 2k6p h PHE 6 CO 0.00 0.00 0.00 1.47 -2.02 0.00 0.00 178.31 177.76 2k6p n LEU 7 N -2.01 0.39 0.09 0.59 -0.00 -1.21 -2.59 117.00 112.26 2k6p n LEU 7 Ca -0.00 0.56 0.10 0.00 -0.00 0.00 0.00 56.01 56.67 2k6p n LEU 7 Cb 0.00 -0.47 -0.01 0.00 -0.00 0.00 0.00 43.42 42.94 2k6p n LEU 7 CO 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 177.39 177.12 2k6p n GLN 8 N -1.90 0.61 0.01 1.47 6.02 -1.24 -3.17 117.38 119.18 2k6p n GLN 8 Ca 0.05 0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 56.95 2k6p n GLN 8 Cb 0.30 -1.82 -0.14 0.00 1.02 0.00 0.00 30.24 29.59 2k6p n GLN 8 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2k6p h SER 9 N 0.00 0.41 -0.51 1.08 4.64 -1.39 -3.35 113.55 114.44 2k6p h SER 9 Ca -0.02 -0.89 0.15 0.00 -0.47 0.00 0.00 61.79 60.55 2k6p h SER 9 Cb 1.07 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2k6p h SER 9 CO 0.01 1.77 0.50 -0.37 -0.87 0.00 0.00 176.83 177.87 2k6p h VAL 10 N -0.09 0.40 0.00 0.95 -1.51 -1.67 -3.36 116.25 110.97 2k6p h VAL 10 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2k6p h VAL 10 Cb 1.93 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2k6p h VAL 10 CO 0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 2k6p n GLY 11 N -1.54 0.87 0.12 5.19 0.00 -1.26 -4.81 105.19 103.77 2k6p n GLY 11 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2k6p n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k6p h LEU 12 N 0.00 0.22 -8.70 0.99 3.38 -1.81 -3.43 115.31 105.96 2k6p h LEU 12 Ca 0.00 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.37 2k6p h LEU 12 Cb 0.00 -0.04 -0.23 0.00 0.09 0.00 0.00 40.66 40.48 2k6p h LEU 12 CO 0.00 0.16 -0.85 0.68 0.09 0.00 0.00 178.44 178.53 2k6p s VAL 13 N -6.17 1.86 0.94 1.22 -7.23 -1.23 -5.07 120.40 104.72 2k6p s VAL 13 Ca -0.13 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 2k6p s VAL 13 Cb 0.09 -1.65 0.17 0.00 0.56 0.00 0.00 36.38 35.55 2k6p s VAL 13 CO 0.70 0.09 1.25 -0.54 -0.31 0.00 0.00 175.10 176.29 2k6p s LYS 14 N -1.68 0.88 1.16 4.82 1.02 -1.26 -4.75 119.74 119.94 2k6p s LYS 14 Ca 0.09 -0.18 -0.17 0.00 0.02 0.00 0.00 55.97 55.72 2k6p s LYS 14 Cb -0.10 -1.85 0.27 0.00 -0.52 0.00 0.00 37.83 35.63 2k6p s LYS 14 CO 0.04 -2.29 1.10 1.03 -0.92 0.00 0.00 175.35 174.31 2k6p s ARG 15 N -5.72 -0.88 0.09 1.68 0.52 -1.26 -5.06 118.95 108.33 2k6p s ARG 15 Ca 0.70 0.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.03 2k6p s ARG 15 Cb -0.07 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 2k6p s ARG 15 CO 0.52 -3.51 -0.08 0.50 0.02 0.00 0.00 175.30 172.74 2k6p s ARG 16 N -5.26 0.78 0.01 3.54 3.52 -1.26 -5.05 118.95 115.23 2k6p s ARG 16 Ca 0.69 -1.14 0.12 0.00 -0.13 0.00 0.00 55.73 55.27 2k6p s ARG 16 Cb -0.12 -0.38 -0.21 0.00 -1.56 0.00 0.00 34.95 32.68 2k6p s ARG 16 CO 0.57 0.04 0.84 -0.39 -0.81 0.00 0.00 175.30 175.55 2k6p h VAL 17 N 3.55 1.01 -3.97 7.11 -1.51 -2.07 -3.47 116.25 116.90 2k6p h VAL 17 Ca -0.36 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.32 2k6p h VAL 17 Cb 1.18 2.48 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 2k6p h VAL 17 CO 0.54 0.58 0.00 0.18 -1.23 0.00 0.00 177.57 177.64 2k6p n LEU 18 N -3.11 0.00 0.00 4.19 4.77 -1.26 -5.12 117.00 116.47 2k6p n LEU 18 Ca -0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.59 2k6p n LEU 18 Cb 1.00 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 42.30 2k6p n LEU 18 CO 0.45 -0.43 0.67 0.00 -1.33 0.00 0.00 177.39 176.75 2k6p n ALA 19 N -3.00 -2.33 -1.57 -1.18 0.00 -1.26 -4.87 120.51 106.30 2k6p n ALA 19 Ca 0.00 -1.53 -0.40 0.00 0.00 0.00 0.00 53.44 51.51 2k6p n ALA 19 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 2k6p n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k6p n THR 20 N -4.20 0.12 -0.08 0.00 -2.24 -1.26 -4.78 114.28 101.84 2k6p n THR 20 Ca 0.14 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 2k6p n THR 20 Cb 0.53 -2.61 -0.15 0.00 -2.10 0.00 0.00 70.33 65.99 2k6p n THR 20 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k6p n ASP 21 N 13.75 0.28 0.22 3.42 -0.08 -1.26 -4.21 116.55 128.67 2k6p n ASP 21 Ca 0.35 0.12 0.18 0.00 -1.51 0.00 0.00 54.79 53.93 2k6p n ASP 21 Cb 0.48 0.67 0.86 0.00 2.34 0.00 0.00 41.12 45.47 2k6p n ASP 21 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 2k6p h MET 22 N 0.00 0.00 0.00 -0.67 4.05 -2.00 0.29 114.93 116.61 2k6p h MET 22 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2k6p h MET 22 Cb 2.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.98 2k6p h MET 22 CO 0.04 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.18 2k6p n ASN 24 N -2.98 1.97 -0.12 0.00 2.85 0.86 -4.41 115.26 113.44 2k6p n ASN 24 Ca 0.03 0.05 0.19 0.00 -0.11 0.00 0.00 54.58 54.74 2k6p n ASN 24 Cb 0.46 -0.57 0.59 0.00 1.24 0.00 0.00 39.78 41.49 2k6p n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2k6p h VAL 25 N -0.39 0.74 0.00 3.44 -1.51 -1.21 -3.45 116.25 113.87 2k6p h VAL 25 Ca -0.63 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2k6p h VAL 25 Cb 1.79 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2k6p h VAL 25 CO -0.22 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.77 2k6p n GLY 26 N -1.58 1.65 0.09 5.19 0.00 -1.21 -5.02 105.19 104.30 2k6p n GLY 26 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2k6p n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6p n ALA 27 N -0.83 1.46 -2.58 4.61 0.00 -0.81 -4.56 120.51 117.81 2k6p n ALA 27 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 2k6p n ALA 27 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 2k6p n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k6p s VAL 28 N -2.57 4.00 -0.12 0.00 1.01 -0.77 -3.54 120.40 118.41 2k6p s VAL 28 Ca -0.07 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 2k6p s VAL 28 Cb 0.07 -4.73 0.06 0.00 0.00 0.00 0.00 36.38 31.79 2k6p s VAL 28 CO 0.82 -1.35 0.18 0.26 0.00 0.00 0.00 175.10 175.01 2k6p s TRP 29 N 5.00 -0.21 -0.15 5.22 0.52 -1.18 -2.27 118.94 125.87 2k6p s TRP 29 Ca 0.43 0.50 -0.05 0.00 0.02 0.00 0.00 56.10 57.00 2k6p s TRP 29 Cb -0.07 -0.29 -0.03 0.00 -1.15 0.00 0.00 33.47 31.92 2k6p s TRP 29 CO 0.25 -0.38 0.01 -1.17 0.02 0.00 0.00 176.95 175.69 2k6p s LEU 30 N 2.31 3.55 -1.46 2.99 2.96 -0.04 -0.47 118.68 128.51 2k6p s LEU 30 Ca 0.04 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.88 2k6p s LEU 30 Cb -0.13 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2k6p s LEU 30 CO -0.08 0.22 0.89 0.59 -1.32 0.00 0.00 176.35 176.65 2k6p n ASN 31 N 3.21 -5.91 -1.87 3.68 3.02 -0.76 -1.32 115.26 115.30 2k6p n ASN 31 Ca -0.17 -0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 53.74 2k6p n ASN 31 Cb 0.53 -4.72 -0.02 0.00 -0.61 0.00 0.00 39.78 34.96 2k6p n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k6p n GLY 32 N -1.72 -0.04 3.01 7.41 0.00 -1.26 -4.99 105.19 107.59 2k6p n GLY 32 Ca -0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 2k6p n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k6p s SER 33 N -2.31 0.75 0.25 1.61 1.04 -0.44 -5.12 113.70 109.48 2k6p s SER 33 Ca 0.00 -0.32 -0.31 0.00 0.48 0.00 0.00 55.95 55.80 2k6p s SER 33 Cb 0.00 -0.02 -0.12 0.00 0.10 0.00 0.00 66.02 65.98 2k6p s SER 33 CO 0.00 -0.07 1.62 0.00 0.98 0.00 0.00 173.24 175.77 2k6p s ALA 35 N 0.40 1.47 0.00 0.00 0.00 -0.96 -4.80 121.76 117.87 2k6p s ALA 35 Ca 0.69 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2k6p s ALA 35 Cb -0.52 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2k6p s ALA 35 CO 0.43 -0.41 0.00 1.17 0.00 0.00 0.00 175.76 176.95 2k6p n LYS 36 N -0.33 1.79 -0.98 0.00 3.00 -1.26 -4.73 118.16 115.65 2k6p n LYS 36 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.14 2k6p n LYS 36 Cb 0.65 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.88 2k6p n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6p n ALA 37 N -3.00 4.78 -2.24 3.14 0.00 -1.26 -4.04 120.51 117.89 2k6p n ALA 37 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.18 2k6p n ALA 37 Cb 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 2k6p n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k6p n SER 38 N -0.55 0.22 -4.44 0.00 7.64 -1.26 -4.79 113.62 110.44 2k6p n SER 38 Ca 0.44 -1.91 -0.43 0.00 1.01 0.00 0.00 58.87 57.98 2k6p n SER 38 Cb 1.39 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 64.40 2k6p n SER 38 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k6p s LYS 39 N 0.00 2.98 0.22 1.43 2.36 -1.26 -5.05 119.74 120.43 2k6p s LYS 39 Ca 0.17 -1.10 -0.32 0.00 -2.55 0.00 0.00 55.97 52.17 2k6p s LYS 39 Cb 0.19 -4.02 -0.12 0.00 -1.05 0.00 0.00 37.83 32.82 2k6p s LYS 39 CO -0.08 -0.84 1.68 0.39 1.55 0.00 0.00 175.35 178.05 2k6p n GLU 40 N 5.20 2.69 -2.37 4.03 1.02 -1.26 -3.67 120.64 126.28 2k6p n GLU 40 Ca -0.11 0.97 -0.24 0.00 -0.02 0.00 0.00 57.16 57.75 2k6p n GLU 40 Cb 0.46 -2.79 0.05 0.00 -0.02 0.00 0.00 31.44 29.15 2k6p n GLU 40 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k6p s VAL 41 N 0.90 2.52 0.04 2.62 -7.23 0.75 -4.94 120.40 115.07 2k6p s VAL 41 Ca 0.73 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 2k6p s VAL 41 Cb -0.52 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 2k6p s VAL 41 CO 0.36 -0.04 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.53 2k6p s LYS 42 N -5.06 0.51 0.24 4.82 1.02 -1.26 -4.71 119.74 115.29 2k6p s LYS 42 Ca 0.59 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 2k6p s LYS 42 Cb -0.11 0.07 -0.10 0.00 -0.52 0.00 0.00 37.83 37.17 2k6p s LYS 42 CO 0.43 -0.06 1.52 0.00 -0.92 0.00 0.00 175.35 176.32 2k6p s ALA 43 N -2.65 3.71 0.00 5.17 0.00 -1.26 -2.79 121.76 123.94 2k6p s ALA 43 Ca -0.03 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2k6p s ALA 43 Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2k6p s ALA 43 CO -0.05 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.30 2k6p n GLY 44 N 2.66 0.55 3.71 0.00 0.00 0.30 -4.92 105.19 107.48 2k6p n GLY 44 Ca 0.09 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 2k6p n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k6p s ASP 45 N -2.96 4.82 -0.26 1.61 1.11 -1.12 -4.86 116.67 115.02 2k6p s ASP 45 Ca 0.00 -0.56 -0.13 0.00 0.18 0.00 0.00 52.55 52.04 2k6p s ASP 45 Cb 0.00 -0.97 -0.04 0.00 1.07 0.00 0.00 42.92 42.98 2k6p s ASP 45 CO 0.00 -0.06 0.28 -0.89 1.18 0.00 0.00 175.17 175.68 2k6p s THR 46 N -2.29 5.25 -0.52 -1.27 2.01 -1.26 0.72 115.64 118.28 2k6p s THR 46 Ca 0.33 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.57 2k6p s THR 46 Cb -0.06 -3.61 0.12 0.00 0.01 0.00 0.00 72.50 68.96 2k6p s THR 46 CO 0.22 0.23 0.45 -0.63 -0.69 0.00 0.00 174.62 174.20 2k6p s ILE 47 N 1.71 4.95 0.15 1.82 1.01 0.15 -1.83 121.20 129.16 2k6p s ILE 47 Ca 0.11 -1.54 -0.27 0.00 0.00 0.00 0.00 60.65 58.96 2k6p s ILE 47 Cb -0.15 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 2k6p s ILE 47 CO 0.09 -0.82 0.83 -0.55 0.00 0.00 0.00 174.94 174.49 2k6p s SER 48 N 3.28 7.41 0.01 3.58 0.15 0.38 0.97 113.70 129.49 2k6p s SER 48 Ca 0.04 1.68 0.02 0.00 0.70 0.00 0.00 55.95 58.38 2k6p s SER 48 Cb -0.29 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.49 2k6p s SER 48 CO 0.02 0.12 -0.06 -0.76 1.20 0.00 0.00 173.24 173.77 2k6p s LEU 49 N -0.77 2.08 -0.27 3.45 2.01 -1.23 -3.10 118.68 120.85 2k6p s LEU 49 Ca 0.39 -0.22 -0.12 0.00 0.01 0.00 0.00 54.13 54.19 2k6p s LEU 49 Cb -0.23 -0.25 -0.05 0.00 0.01 0.00 0.00 46.19 45.67 2k6p s LEU 49 CO 0.27 -0.01 0.23 -2.28 1.01 0.00 0.00 176.35 175.58 2k6p s HIS 50 N -0.46 3.25 0.41 0.29 5.65 -1.24 -2.70 115.29 120.49 2k6p s HIS 50 Ca -0.01 0.22 0.00 0.00 0.25 0.00 0.00 55.06 55.53 2k6p s HIS 50 Cb -0.04 -2.41 -0.00 0.00 -1.18 0.00 0.00 32.58 28.95 2k6p s HIS 50 CO -0.00 -0.13 0.02 0.66 -0.65 0.00 0.00 174.74 174.64 2k6p n TYR 51 N 4.96 0.86 0.09 3.88 4.02 0.15 -4.89 117.16 126.23 2k6p n TYR 51 Ca -0.13 -2.08 -0.06 0.00 -0.01 0.00 0.00 57.90 55.62 2k6p n TYR 51 Cb 0.52 -0.24 0.06 0.00 -0.02 0.00 0.00 39.34 39.66 2k6p n TYR 51 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2k6p h LEU 52 N 0.00 0.25 -1.92 7.72 3.38 -2.02 -3.03 115.31 119.68 2k6p h LEU 52 Ca -0.34 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k6p h LEU 52 Cb 1.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k6p h LEU 52 CO 0.56 0.89 0.00 2.29 0.09 0.00 0.00 178.44 182.26 2k6p n LYS 53 N -3.77 2.22 0.00 1.13 2.85 -1.26 -5.05 118.16 114.28 2k6p n LYS 53 Ca -0.03 -1.88 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 2k6p n LYS 53 Cb 0.70 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 2k6p n LYS 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k6p n GLY 54 N 1.35 0.45 3.77 2.58 0.00 -1.14 -5.03 105.19 107.16 2k6p n GLY 54 Ca 0.18 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 2k6p n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6p s ILE 55 N -0.32 5.14 -0.15 -0.61 1.09 -1.26 0.34 121.20 125.43 2k6p s ILE 55 Ca 0.00 0.08 -0.22 0.00 -1.10 0.00 0.00 60.65 59.41 2k6p s ILE 55 Cb 0.00 -3.27 -0.24 0.00 -1.06 0.00 0.00 42.46 37.89 2k6p s ILE 55 CO 0.00 0.55 0.52 -0.33 -0.10 0.00 0.00 174.94 175.58 2k6p h GLU 56 N 5.68 0.09 -4.64 2.79 4.39 -1.88 -3.49 114.58 117.51 2k6p h GLU 56 Ca -0.48 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.07 2k6p h GLU 56 Cb 1.20 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.82 2k6p h GLU 56 CO 0.63 1.07 -1.20 -1.91 -1.16 0.00 0.00 179.01 176.45 2k6p n GLU 57 N -4.32 -3.56 -3.30 2.33 2.13 -1.26 -4.06 120.64 108.60 2k6p n GLU 57 Ca -0.22 2.80 -0.22 0.00 0.66 0.00 0.00 57.16 60.18 2k6p n GLU 57 Cb 0.69 -4.39 0.04 0.00 0.27 0.00 0.00 31.44 28.06 2k6p n GLU 57 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2k6p n TYR 58 N 1.20 -1.68 -3.71 4.31 4.02 0.27 0.90 117.16 122.47 2k6p n TYR 58 Ca -0.27 -2.22 -0.14 0.00 -0.01 0.00 0.00 57.90 55.26 2k6p n TYR 58 Cb 0.42 -0.52 -0.14 0.00 -0.02 0.00 0.00 39.34 39.07 2k6p n TYR 58 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2k6p s THR 59 N -2.68 -0.14 -0.14 -0.72 2.01 -0.64 0.32 115.64 113.65 2k6p s THR 59 Ca 0.51 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 2k6p s THR 59 Cb -0.04 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 2k6p s THR 59 CO 0.32 0.10 1.18 -0.63 -0.69 0.00 0.00 174.62 174.91 2k6p s ILE 60 N 1.62 4.39 -0.53 1.82 1.01 0.22 -2.78 121.20 126.94 2k6p s ILE 60 Ca -0.05 1.69 0.24 0.00 0.00 0.00 0.00 60.65 62.53 2k6p s ILE 60 Cb -0.12 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.34 2k6p s ILE 60 CO -0.06 -0.10 1.30 -0.07 0.00 0.00 0.00 174.94 176.01 2k6p h LEU 61 N 9.11 0.00 -7.06 2.97 3.38 0.23 0.87 115.31 124.81 2k6p h LEU 61 Ca -0.28 -0.14 0.36 0.00 0.09 0.00 0.00 57.88 57.92 2k6p h LEU 61 Cb 1.11 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 2k6p h LEU 61 CO 0.94 0.07 0.94 -1.58 0.09 0.00 0.00 178.44 178.89 2k6p s GLN 62 N -3.21 0.13 -0.53 1.13 -0.44 -1.24 -4.54 119.66 110.96 2k6p s GLN 62 Ca 0.05 -0.07 0.04 0.00 -2.50 0.00 0.00 55.36 52.87 2k6p s GLN 62 Cb 0.12 0.05 0.16 0.00 -1.64 0.00 0.00 33.01 31.69 2k6p s GLN 62 CO 0.73 -0.06 0.36 0.42 0.50 0.00 0.00 175.29 177.23 2k6p s ILE 63 N -2.15 1.74 -1.01 -2.34 -1.09 -1.26 -4.74 121.20 110.34 2k6p s ILE 63 Ca 0.14 -3.24 0.15 0.00 -2.23 0.00 0.00 60.65 55.47 2k6p s ILE 63 Cb 0.05 -2.17 0.12 0.00 -1.58 0.00 0.00 42.46 38.88 2k6p s ILE 63 CO -0.05 -1.02 1.46 -0.81 -1.23 0.00 0.00 174.94 173.30 2k6p n PRO 64 N 2.78 0.01 -3.15 2.79 -0.04 -1.26 -4.90 135.00 131.23 2k6p n PRO 64 Ca 0.18 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.74 2k6p n PRO 64 Cb 0.38 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.41 2k6p n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k6p n ALA 65 N -1.49 -2.02 -3.21 0.55 0.00 -1.26 -5.04 120.51 108.03 2k6p n ALA 65 Ca 0.04 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 2k6p n ALA 65 Cb 0.17 -3.72 0.01 0.00 0.00 0.00 0.00 19.45 15.90 2k6p n ALA 65 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k6p n LEU 66 N -3.39 0.00 -0.00 0.00 -0.00 -1.26 -5.02 117.00 107.34 2k6p n LEU 66 Ca -0.16 -0.57 -0.00 0.00 -0.00 0.00 0.00 56.01 55.28 2k6p n LEU 66 Cb 0.63 -0.06 -0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2k6p n LEU 66 CO 0.53 -0.47 -0.51 0.29 -0.00 0.00 0.00 177.39 177.23 2k6p n LYS 67 N -1.10 0.54 -3.65 1.47 4.76 -1.26 -4.96 118.16 113.95 2k6p n LYS 67 Ca 0.02 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 2k6p n LYS 67 Cb 0.13 -1.01 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 2k6p n LYS 67 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2k6p s ASN 68 N -3.90 -0.76 -0.15 4.39 -0.87 -1.26 -4.72 114.94 107.67 2k6p s ASN 68 Ca -0.00 1.32 -0.07 0.00 -1.57 0.00 0.00 52.86 52.54 2k6p s ASN 68 Cb 0.00 1.87 -0.04 0.00 -0.02 0.00 0.00 41.25 43.05 2k6p s ASN 68 CO 0.01 -0.22 0.11 0.54 -2.57 0.00 0.00 177.10 174.96 2k6p s VAL 69 N 2.72 5.26 0.00 1.60 0.11 -1.26 -5.04 120.40 123.79 2k6p s VAL 69 Ca -0.04 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2k6p s VAL 69 Cb -0.12 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2k6p s VAL 69 CO -0.16 0.55 0.00 -2.65 -3.33 0.00 0.00 175.10 169.51 2k6p n PRO 70 N 2.61 1.36 -2.48 1.54 -0.02 -1.26 -4.72 135.00 132.03 2k6p n PRO 70 Ca -0.18 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.96 2k6p n PRO 70 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2k6p n PRO 70 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2k6p n ARG 71 N 0.00 3.63 0.00 -0.52 0.63 -1.26 -4.07 116.66 115.07 2k6p n ARG 71 Ca 0.00 -4.38 0.00 0.00 -0.92 0.00 0.00 57.85 52.55 2k6p n ARG 71 Cb 0.00 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 30.61 2k6p n ARG 71 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k6p n LYS 72 N -0.35 0.00 0.00 -0.14 4.81 -1.26 -4.91 118.16 116.31 2k6p n LYS 72 Ca 0.43 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.97 2k6p n LYS 72 Cb 0.40 -0.03 -0.07 0.00 0.02 0.00 0.00 35.03 35.35 2k6p n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k6p n ASP 73 N -2.40 0.70 0.33 3.14 9.92 -1.26 -4.23 116.55 122.74 2k6p n ASP 73 Ca 0.00 -0.60 0.21 0.00 -0.53 0.00 0.00 54.79 53.86 2k6p n ASP 73 Cb 0.00 1.09 1.10 0.00 -0.64 0.00 0.00 41.12 42.67 2k6p n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k6p h THR 74 N 0.00 0.03 -0.54 -3.53 1.03 -1.88 0.01 112.91 108.04 2k6p h THR 74 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 66.23 2k6p h THR 74 Cb 0.64 0.91 -0.10 0.00 -1.07 0.00 0.00 68.15 68.52 2k6p h THR 74 CO 0.00 0.00 0.22 1.57 -0.01 0.00 0.00 175.52 177.30 2k6p n HIS 75 N -3.08 1.77 -0.35 0.00 -0.00 -1.26 -3.82 115.22 108.48 2k6p n HIS 75 Ca -0.03 -0.95 0.00 0.00 -0.00 0.00 0.00 57.72 56.74 2k6p n HIS 75 Cb 0.16 -0.56 0.00 0.00 -0.00 0.00 0.00 29.99 29.60 2k6p n HIS 75 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2k6p n LEU 76 N -0.09 0.72 -0.00 0.27 4.77 -0.01 -4.74 117.00 117.91 2k6p n LEU 76 Ca 0.30 -0.72 0.01 0.00 -0.03 0.00 0.00 56.01 55.58 2k6p n LEU 76 Cb 1.11 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.17 2k6p n LEU 76 CO 0.32 0.18 -0.55 -1.22 -1.33 0.00 0.00 177.39 174.79 2k6p n TYR 77 N -0.03 0.00 -3.66 -1.77 4.01 -1.25 -4.64 117.16 109.81 2k6p n TYR 77 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2k6p n TYR 77 Cb 0.12 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 38.98 2k6p n TYR 77 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k6p s ILE 78 N -2.22 0.03 -0.04 -0.72 2.07 -1.26 0.90 121.20 119.95 2k6p s ILE 78 Ca -0.01 -0.23 -0.15 0.00 -1.41 0.00 0.00 60.65 58.85 2k6p s ILE 78 Cb 0.02 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.86 2k6p s ILE 78 CO 0.14 -0.13 0.33 0.00 -1.91 0.00 0.00 174.94 173.38 2k6p s ALA 79 N -1.06 -0.84 -0.31 1.50 0.00 -1.12 -4.68 121.76 115.25 2k6p s ALA 79 Ca -0.11 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 2k6p s ALA 79 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2k6p s ALA 79 CO 0.06 -0.25 1.65 -1.25 0.00 0.00 0.00 175.76 175.97 2k6p s PRO 80 N -1.02 3.55 -0.42 0.00 0.04 -1.26 -1.61 135.00 134.27 2k6p s PRO 80 Ca -0.11 1.40 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 2k6p s PRO 80 Cb -0.04 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.33 2k6p s PRO 80 CO 0.04 -1.60 2.37 1.17 0.04 0.00 0.00 177.00 179.02 2k6p n LYS 81 N 8.08 1.28 -3.97 4.56 4.81 0.26 -4.93 118.16 128.25 2k6p n LYS 81 Ca 0.20 0.14 -0.26 0.00 -0.87 0.00 0.00 58.31 57.52 2k6p n LYS 81 Cb 0.46 -3.35 -0.03 0.00 0.02 0.00 0.00 35.03 32.14 2k6p n LYS 81 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2k6p n THR 82 N 7.92 0.00 -3.61 3.15 -2.24 -1.26 -4.81 114.28 113.43 2k6p n THR 82 Ca 0.36 -2.07 -0.24 0.00 -2.27 0.00 0.00 64.05 59.82 2k6p n THR 82 Cb 0.51 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.89 2k6p n THR 82 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2k6p n LYS 83 N -1.45 -1.64 0.00 -0.78 2.85 -1.26 -5.24 118.16 110.64 2k6p n LYS 83 Ca -0.09 1.04 0.00 0.00 -1.05 0.00 0.00 58.31 58.21 2k6p n LYS 83 Cb 0.58 -2.76 0.00 0.00 -0.65 0.00 0.00 35.03 32.19 2k6p n LYS 83 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74