#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 0.93 0.59 2.12 3.03 -1.26 -2.45 118.95 121.91 2k6p s ARG 2 Ca 0.00 -0.36 0.29 0.00 2.03 0.00 0.00 55.73 57.68 2k6p s ARG 2 Cb 0.00 0.41 1.40 0.00 -1.03 0.00 0.00 34.95 35.73 2k6p s ARG 2 CO 0.00 -0.32 1.80 0.97 -1.13 0.00 0.00 175.30 176.62 2k6p h ILE 3 N 2.99 0.29 0.14 4.99 -0.00 -1.89 1.24 117.51 125.26 2k6p h ILE 3 Ca -0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.54 2k6p h ILE 3 Cb 1.21 0.52 0.00 0.00 -0.00 0.00 0.00 36.82 38.55 2k6p h ILE 3 CO 0.43 0.00 -0.07 0.44 -0.00 0.00 0.00 178.15 178.96 2k6p h ASP 4 N 0.00 -0.15 0.22 2.19 3.32 -1.88 -3.27 116.42 116.85 2k6p h ASP 4 Ca 0.26 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2k6p h ASP 4 Cb 1.46 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2k6p h ASP 4 CO -0.00 0.42 -0.25 1.17 -1.72 0.00 0.00 179.24 178.87 2k6p n LYS 5 N -4.89 0.90 -0.02 3.56 4.81 -0.53 -3.59 118.16 118.39 2k6p n LYS 5 Ca -0.08 -0.53 -0.00 0.00 -0.87 0.00 0.00 58.31 56.83 2k6p n LYS 5 Cb 0.27 -1.49 -0.00 0.00 0.02 0.00 0.00 35.03 33.83 2k6p n LYS 5 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2k6p h PHE 6 N 1.30 0.00 0.00 5.64 3.57 0.14 -3.06 116.94 124.53 2k6p h PHE 6 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k6p h PHE 6 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2k6p h PHE 6 CO 0.00 0.00 0.00 1.37 -2.23 0.00 0.00 178.31 177.45 2k6p h LEU 7 N -0.31 0.00 0.00 0.59 8.10 -1.77 -2.85 115.31 119.07 2k6p h LEU 7 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2k6p h LEU 7 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.24 2k6p h LEU 7 CO 0.00 0.00 -1.01 0.00 -4.11 0.00 0.00 178.44 173.32 2k6p n GLN 8 N -2.36 0.61 -0.06 0.17 6.02 -1.24 -1.31 117.38 119.22 2k6p n GLN 8 Ca 0.04 0.13 -0.21 0.00 -0.01 0.00 0.00 57.00 56.95 2k6p n GLN 8 Cb 0.38 -1.83 -0.13 0.00 1.02 0.00 0.00 30.24 29.68 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 0.16 -0.34 1.08 4.64 -1.45 -3.36 113.55 114.29 2k6p h SER 9 Ca -0.00 -0.70 0.10 0.00 -0.47 0.00 0.00 61.79 60.71 2k6p h SER 9 Cb 1.02 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2k6p h SER 9 CO 0.00 1.56 0.27 -0.37 -0.87 0.00 0.00 176.83 177.42 2k6p h VAL 10 N -0.65 0.70 0.00 0.95 -1.51 -1.69 -3.26 116.25 110.79 2k6p h VAL 10 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2k6p h VAL 10 Cb 1.52 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2k6p h VAL 10 CO -0.08 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.87 2k6p n GLY 11 N -1.56 0.87 0.09 5.19 0.00 -1.25 -4.65 105.19 103.89 2k6p n GLY 11 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2k6p n GLY 11 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k6p n LEU 12 N 0.00 0.66 -4.90 0.99 0.00 -0.42 -4.99 117.00 108.35 2k6p n LEU 12 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 56.01 55.69 2k6p n LEU 12 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 43.42 43.54 2k6p n LEU 12 CO 0.00 0.52 0.16 0.54 0.00 0.00 0.00 177.39 178.61 2k6p s VAL 13 N -2.41 5.04 -0.02 1.96 0.11 -1.18 -5.02 120.40 118.88 2k6p s VAL 13 Ca -0.13 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 2k6p s VAL 13 Cb 0.06 -3.69 0.02 0.00 -1.53 0.00 0.00 36.38 31.24 2k6p s VAL 13 CO 0.65 -0.19 0.30 -0.75 -3.33 0.00 0.00 175.10 171.78 2k6p s LYS 14 N -3.22 0.63 -2.04 1.54 2.47 -1.26 -4.87 119.74 113.01 2k6p s LYS 14 Ca 0.44 -0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 2k6p s LYS 14 Cb -0.11 0.28 0.00 0.00 -1.46 0.00 0.00 37.83 36.54 2k6p s LYS 14 CO 0.27 -0.17 0.00 -2.13 0.16 0.00 0.00 175.35 173.48 2k6p n ARG 15 N 1.41 -1.51 -2.81 4.03 3.00 -1.26 -4.86 116.66 114.66 2k6p n ARG 15 Ca -0.21 1.14 -0.10 0.00 -0.00 0.00 0.00 57.85 58.68 2k6p n ARG 15 Cb 0.56 -5.58 0.03 0.00 0.00 0.00 0.00 32.46 27.46 2k6p n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k6p n ARG 16 N -2.50 0.72 -3.73 -0.14 1.74 -1.26 -5.15 116.66 106.34 2k6p n ARG 16 Ca -0.21 -1.97 -0.22 0.00 -0.77 0.00 0.00 57.85 54.67 2k6p n ARG 16 Cb 0.67 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 2k6p n ARG 16 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k6p s VAL 17 N 0.51 2.43 0.00 1.55 1.01 -1.26 -4.83 120.40 119.81 2k6p s VAL 17 Ca 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2k6p s VAL 17 Cb 0.18 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2k6p s VAL 17 CO -0.20 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.08 2k6p n LEU 18 N -1.52 0.00 -4.74 3.92 4.32 -1.26 -4.75 117.00 112.97 2k6p n LEU 18 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.60 2k6p n LEU 18 Cb 0.63 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.39 2k6p n LEU 18 CO 0.43 0.00 0.90 0.00 -1.22 0.00 0.00 177.39 177.50 2k6p s ALA 19 N -0.90 3.45 -0.46 -1.18 0.00 -1.26 -5.00 121.76 116.42 2k6p s ALA 19 Ca 0.00 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 2k6p s ALA 19 Cb 0.00 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2k6p s ALA 19 CO 0.00 -0.40 0.55 0.95 0.00 0.00 0.00 175.76 176.86 2k6p s THR 20 N -0.08 4.96 -0.18 0.00 -4.23 -1.26 -4.88 115.64 109.96 2k6p s THR 20 Ca 0.53 -0.32 0.18 0.00 -1.18 0.00 0.00 61.69 60.91 2k6p s THR 20 Cb -0.33 -4.17 -0.26 0.00 1.34 0.00 0.00 72.50 69.08 2k6p s THR 20 CO 0.37 -0.61 0.11 0.47 -0.54 0.00 0.00 174.62 174.43 2k6p n ASP 21 N 5.94 0.02 -0.16 3.99 9.92 -1.26 -4.30 116.55 130.71 2k6p n ASP 21 Ca -0.06 0.01 -0.04 0.00 -0.53 0.00 0.00 54.79 54.17 2k6p n ASP 21 Cb 0.47 1.04 0.05 0.00 -0.64 0.00 0.00 41.12 42.04 2k6p n ASP 21 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 2k6p h MET 22 N 0.00 0.41 0.00 -1.24 2.86 -1.98 0.50 114.93 115.48 2k6p h MET 22 Ca -0.50 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 2k6p h MET 22 Cb 2.16 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.72 2k6p h MET 22 CO 0.03 0.27 -0.15 0.00 1.06 0.00 0.00 176.91 178.12 2k6p h ASN 24 N 0.00 0.00 -0.20 0.00 -1.24 -1.36 -3.34 115.58 109.44 2k6p h ASN 24 Ca -0.00 -0.65 0.06 0.00 0.71 0.00 0.00 56.30 56.41 2k6p h ASN 24 Cb 0.32 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 2k6p h ASN 24 CO 0.02 1.06 0.14 -0.37 -1.29 0.00 0.00 177.43 176.99 2k6p h VAL 25 N -1.00 0.89 0.00 2.57 -1.51 -0.01 -3.46 116.25 113.73 2k6p h VAL 25 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2k6p h VAL 25 Cb 0.92 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 2k6p h VAL 25 CO -0.06 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.89 2k6p n GLY 26 N -1.58 1.45 0.11 5.19 0.00 -0.52 -5.03 105.19 104.80 2k6p n GLY 26 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 1.45 -1.85 4.61 0.00 0.40 -4.54 120.51 120.23 2k6p n ALA 27 Ca 0.00 -1.18 -0.43 0.00 0.00 0.00 0.00 53.44 51.83 2k6p n ALA 27 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.51 3.31 -0.22 0.00 1.01 -1.18 -3.53 120.40 117.27 2k6p s VAL 28 Ca -0.16 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 2k6p s VAL 28 Cb 0.07 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 33.18 2k6p s VAL 28 CO 0.77 -0.18 0.15 0.26 0.00 0.00 0.00 175.10 176.10 2k6p s TRP 29 N 6.57 0.08 -0.16 5.22 0.52 -1.22 -2.64 118.94 127.31 2k6p s TRP 29 Ca 0.86 -0.37 -0.24 0.00 0.02 0.00 0.00 56.10 56.37 2k6p s TRP 29 Cb -0.30 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 2k6p s TRP 29 CO 0.34 -0.66 0.76 -1.17 0.02 0.00 0.00 176.95 176.24 2k6p s LEU 30 N 2.18 4.18 -1.45 2.99 0.20 0.27 -1.75 118.68 125.31 2k6p s LEU 30 Ca 0.06 1.08 -0.11 0.00 0.69 0.00 0.00 54.13 55.85 2k6p s LEU 30 Cb -0.16 -3.12 0.07 0.00 -0.43 0.00 0.00 46.19 42.55 2k6p s LEU 30 CO -0.20 -0.33 0.73 0.59 -0.29 0.00 0.00 176.35 176.86 2k6p n ASN 31 N 4.99 -4.60 -0.86 3.68 4.13 -0.93 -0.54 115.26 121.13 2k6p n ASN 31 Ca 0.02 -0.56 -0.08 0.00 1.68 0.00 0.00 54.58 55.64 2k6p n ASN 31 Cb 0.49 -3.72 -0.01 0.00 -1.54 0.00 0.00 39.78 35.01 2k6p n ASN 31 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k6p n GLY 32 N -1.46 0.12 2.95 7.41 0.00 -1.25 -5.02 105.19 107.94 2k6p n GLY 32 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2k6p n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k6p s SER 33 N -2.67 0.11 0.34 1.61 0.01 0.29 -5.10 113.70 108.29 2k6p s SER 33 Ca 0.00 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 56.74 2k6p s SER 33 Cb 0.00 0.08 -0.12 0.00 0.21 0.00 0.00 66.02 66.18 2k6p s SER 33 CO 0.00 -0.17 1.25 0.00 0.41 0.00 0.00 173.24 174.73 2k6p s ALA 35 N -1.10 -0.96 1.00 0.00 0.00 -1.08 -4.65 121.76 114.98 2k6p s ALA 35 Ca 0.56 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2k6p s ALA 35 Cb -0.58 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2k6p s ALA 35 CO 0.62 -0.32 0.00 1.17 0.00 0.00 0.00 175.76 177.23 2k6p n LYS 36 N 4.41 -0.53 -0.97 0.00 3.00 -1.26 -4.64 118.16 118.17 2k6p n LYS 36 Ca -0.22 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.93 2k6p n LYS 36 Cb 0.54 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.74 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 4.87 -2.25 3.14 0.00 -1.26 -4.01 120.51 118.01 2k6p n ALA 37 Ca 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 53.44 51.17 2k6p n ALA 37 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 2k6p n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k6p n SER 38 N -0.69 0.21 -4.58 0.00 2.88 -1.26 -4.83 113.62 105.34 2k6p n SER 38 Ca 0.46 -1.92 -0.38 0.00 -1.33 0.00 0.00 58.87 55.70 2k6p n SER 38 Cb 1.41 -0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 64.67 2k6p n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k6p s LYS 39 N 0.00 3.92 0.84 -1.46 -0.14 -1.26 -5.08 119.74 116.57 2k6p s LYS 39 Ca 0.17 -0.34 -0.11 0.00 -1.36 0.00 0.00 55.97 54.33 2k6p s LYS 39 Cb 0.19 -3.65 0.10 0.00 -1.68 0.00 0.00 37.83 32.80 2k6p s LYS 39 CO -0.08 -0.19 1.15 -1.83 -0.76 0.00 0.00 175.35 173.63 2k6p s GLU 40 N 1.75 1.55 0.34 1.68 -1.05 -1.26 -3.70 118.70 118.01 2k6p s GLU 40 Ca 0.07 1.50 0.04 0.00 -0.15 0.00 0.00 54.97 56.43 2k6p s GLU 40 Cb -0.16 -1.79 -0.06 0.00 -0.44 0.00 0.00 34.13 31.68 2k6p s GLU 40 CO 0.11 -2.23 0.06 0.14 0.95 0.00 0.00 175.26 174.29 2k6p s VAL 41 N -2.57 1.21 0.36 1.83 -7.23 -1.03 -4.85 120.40 108.13 2k6p s VAL 41 Ca 0.67 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2k6p s VAL 41 Cb -0.23 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 2k6p s VAL 41 CO 0.55 0.00 0.19 -0.54 -0.31 0.00 0.00 175.10 174.99 2k6p s LYS 42 N -3.87 1.80 0.51 4.82 1.02 -1.26 -4.84 119.74 117.91 2k6p s LYS 42 Ca 0.35 -2.07 -0.16 0.00 0.02 0.00 0.00 55.97 54.12 2k6p s LYS 42 Cb 0.08 -0.15 -0.08 0.00 -0.52 0.00 0.00 37.83 37.17 2k6p s LYS 42 CO 0.15 -0.54 0.97 0.00 -0.92 0.00 0.00 175.35 175.01 2k6p s ALA 43 N -3.38 3.10 -1.60 5.17 0.00 -1.26 -3.87 121.76 119.92 2k6p s ALA 43 Ca 0.32 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2k6p s ALA 43 Cb 0.03 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2k6p s ALA 43 CO 0.20 -0.22 0.41 0.41 0.00 0.00 0.00 175.76 176.56 2k6p n GLY 44 N -1.58 -0.52 3.77 0.00 0.00 0.30 -4.95 105.19 102.23 2k6p n GLY 44 Ca 0.06 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.50 5.05 -0.05 1.61 1.01 -1.17 -4.85 116.67 115.77 2k6p s ASP 45 Ca 0.21 -0.53 -0.09 0.00 0.71 0.00 0.00 52.55 52.85 2k6p s ASP 45 Cb -0.10 -1.01 -0.05 0.00 1.01 0.00 0.00 42.92 42.78 2k6p s ASP 45 CO 0.26 -0.18 0.26 -0.89 0.21 0.00 0.00 175.17 174.84 2k6p s THR 46 N -2.29 5.30 -0.33 -1.27 2.01 -1.26 0.10 115.64 117.90 2k6p s THR 46 Ca 0.36 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2k6p s THR 46 Cb -0.06 -3.54 0.10 0.00 0.01 0.00 0.00 72.50 69.01 2k6p s THR 46 CO 0.24 0.54 0.05 -0.63 -0.69 0.00 0.00 174.62 174.13 2k6p s ILE 47 N -1.11 1.89 0.46 1.82 -1.09 0.18 -2.19 121.20 121.15 2k6p s ILE 47 Ca 0.21 -2.04 -0.16 0.00 -2.23 0.00 0.00 60.65 56.43 2k6p s ILE 47 Cb -0.14 -2.38 -0.08 0.00 -1.58 0.00 0.00 42.46 38.28 2k6p s ILE 47 CO 0.10 -0.58 0.91 -0.44 -1.23 0.00 0.00 174.94 173.70 2k6p s SER 48 N 1.11 6.67 -0.16 3.58 0.01 -0.72 0.10 113.70 124.29 2k6p s SER 48 Ca 0.09 1.47 -0.07 0.00 1.31 0.00 0.00 55.95 58.76 2k6p s SER 48 Cb -0.19 -2.46 0.07 0.00 0.21 0.00 0.00 66.02 63.65 2k6p s SER 48 CO -0.12 -0.48 0.36 -0.76 0.41 0.00 0.00 173.24 172.65 2k6p s LEU 49 N -3.78 -0.28 -0.23 2.44 1.02 -1.23 -3.44 118.68 113.18 2k6p s LEU 49 Ca 0.57 0.81 -0.17 0.00 0.02 0.00 0.00 54.13 55.37 2k6p s LEU 49 Cb -0.10 1.11 -0.03 0.00 0.02 0.00 0.00 46.19 47.19 2k6p s LEU 49 CO 0.27 -0.21 0.45 -2.28 0.02 0.00 0.00 176.35 174.59 2k6p s HIS 50 N 2.06 3.32 0.17 0.29 2.46 -1.24 -3.35 115.29 119.00 2k6p s HIS 50 Ca -0.04 0.61 0.02 0.00 0.47 0.00 0.00 55.06 56.12 2k6p s HIS 50 Cb -0.11 -2.62 -0.05 0.00 -0.13 0.00 0.00 32.58 29.68 2k6p s HIS 50 CO -0.11 -0.14 -0.01 0.71 -2.47 0.00 0.00 174.74 172.71 2k6p s TYR 51 N 1.79 1.21 0.36 3.88 1.51 -1.16 -4.67 117.35 120.28 2k6p s TYR 51 Ca 0.20 -0.98 0.05 0.00 -1.01 0.00 0.00 57.07 55.33 2k6p s TYR 51 Cb -0.15 -0.69 0.68 0.00 -0.11 0.00 0.00 41.96 41.69 2k6p s TYR 51 CO 0.09 -0.17 1.95 1.37 -1.11 0.00 0.00 175.55 177.68 2k6p h LEU 52 N 2.71 0.53 -0.16 -1.29 8.10 -2.04 -2.26 115.31 120.90 2k6p h LEU 52 Ca -0.37 -0.06 -0.20 0.00 0.11 0.00 0.00 57.88 57.36 2k6p h LEU 52 Cb 1.20 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 41.26 2k6p h LEU 52 CO 0.63 0.49 -0.94 0.07 -4.11 0.00 0.00 178.44 174.58 2k6p h LYS 53 N 0.58 0.06 0.00 0.17 2.10 -2.01 -3.49 116.57 113.98 2k6p h LYS 53 Ca 0.14 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2k6p h LYS 53 Cb 0.14 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2k6p h LYS 53 CO -0.01 0.96 0.00 0.41 -2.00 0.00 0.00 179.45 178.80 2k6p n GLY 54 N 1.11 -0.65 3.83 0.07 0.00 -0.85 -5.12 105.19 103.59 2k6p n GLY 54 Ca -0.02 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.48 4.80 -0.25 -0.61 1.09 -1.26 -3.01 121.20 120.49 2k6p s ILE 55 Ca 0.00 0.95 -0.10 0.00 -1.10 0.00 0.00 60.65 60.41 2k6p s ILE 55 Cb 0.00 -3.78 -0.12 0.00 -1.06 0.00 0.00 42.46 37.51 2k6p s ILE 55 CO 0.00 0.29 -0.30 -0.62 -0.10 0.00 0.00 174.94 174.21 2k6p n GLU 56 N 0.94 0.54 -2.63 2.79 4.71 -1.21 -5.01 120.64 120.77 2k6p n GLU 56 Ca -0.06 0.21 -0.01 0.00 -0.01 0.00 0.00 57.16 57.30 2k6p n GLU 56 Cb 0.52 -1.40 -0.01 0.00 -1.01 0.00 0.00 31.44 29.54 2k6p n GLU 56 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2k6p n GLU 57 N -3.92 -3.46 -2.71 3.49 2.13 -1.25 -4.20 120.64 110.71 2k6p n GLU 57 Ca -0.48 2.76 -0.22 0.00 0.66 0.00 0.00 57.16 59.88 2k6p n GLU 57 Cb 0.87 -5.10 0.11 0.00 0.27 0.00 0.00 31.44 27.58 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 0.79 -2.74 -3.71 4.31 4.02 0.29 -0.42 117.16 119.69 2k6p n TYR 58 Ca -0.05 -1.90 -0.15 0.00 -0.01 0.00 0.00 57.90 55.79 2k6p n TYR 58 Cb 0.08 -0.69 -0.15 0.00 -0.02 0.00 0.00 39.34 38.56 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 -3.01 -0.14 -0.19 -0.72 2.01 0.31 0.47 115.64 114.38 2k6p s THR 59 Ca 0.66 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 2k6p s THR 59 Cb -0.04 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 2k6p s THR 59 CO 0.43 0.11 1.30 -0.63 -0.69 0.00 0.00 174.62 175.14 2k6p s ILE 60 N 1.64 4.20 -0.18 1.82 1.01 0.28 -2.13 121.20 127.83 2k6p s ILE 60 Ca -0.04 1.42 0.18 0.00 0.00 0.00 0.00 60.65 62.21 2k6p s ILE 60 Cb -0.12 -4.00 0.14 0.00 0.01 0.00 0.00 42.46 38.49 2k6p s ILE 60 CO -0.06 -0.22 1.52 -0.07 0.00 0.00 0.00 174.94 176.12 2k6p h LEU 61 N 10.10 0.00 0.00 2.97 3.38 0.38 0.88 115.31 133.02 2k6p h LEU 61 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2k6p h LEU 61 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k6p h LEU 61 CO 0.99 0.37 0.00 1.67 0.09 0.00 0.00 178.44 181.56 2k6p n GLN 62 N -3.22 0.00 -3.96 1.13 7.27 -1.23 -4.35 117.38 113.01 2k6p n GLN 62 Ca 0.02 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.79 2k6p n GLN 62 Cb 0.66 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.17 2k6p n GLN 62 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2k6p s ILE 63 N -2.00 2.50 -0.76 1.69 -1.09 -1.26 -4.83 121.20 115.45 2k6p s ILE 63 Ca 0.00 -3.12 0.19 0.00 -2.23 0.00 0.00 60.65 55.49 2k6p s ILE 63 Cb 0.00 -2.76 0.18 0.00 -1.58 0.00 0.00 42.46 38.30 2k6p s ILE 63 CO 0.00 -0.76 1.58 -0.81 -1.23 0.00 0.00 174.94 173.72 2k6p n PRO 64 N 3.34 0.09 -3.17 2.79 -0.04 -1.26 -4.88 135.00 131.86 2k6p n PRO 64 Ca 0.05 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.61 2k6p n PRO 64 Cb 0.34 -1.67 0.05 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.63 -1.04 -1.97 0.55 0.00 -1.26 -5.00 120.51 110.17 2k6p n ALA 65 Ca 0.03 0.32 -0.24 0.00 0.00 0.00 0.00 53.44 53.55 2k6p n ALA 65 Cb 0.20 -4.30 0.08 0.00 0.00 0.00 0.00 19.45 15.44 2k6p n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6p s LEU 66 N -6.63 3.02 -0.10 0.00 1.02 -1.26 -5.03 118.68 109.70 2k6p s LEU 66 Ca 0.38 -0.08 0.10 0.00 0.02 0.00 0.00 54.13 54.56 2k6p s LEU 66 Cb -0.17 -2.47 -0.14 0.00 0.02 0.00 0.00 46.19 43.43 2k6p s LEU 66 CO 0.47 -1.64 0.06 0.29 0.02 0.00 0.00 176.35 175.56 2k6p n LYS 67 N -2.75 1.97 -3.14 1.70 5.02 -1.26 -4.95 118.16 114.75 2k6p n LYS 67 Ca 0.12 -0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 2k6p n LYS 67 Cb 0.60 -1.29 -0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2k6p n LYS 67 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k6p s ASN 68 N -4.26 -1.26 0.08 4.39 3.84 -1.26 -4.74 114.94 111.72 2k6p s ASN 68 Ca -0.05 -0.02 -0.29 0.00 0.21 0.00 0.00 52.86 52.70 2k6p s ASN 68 Cb 0.04 1.75 -0.05 0.00 -0.55 0.00 0.00 41.25 42.43 2k6p s ASN 68 CO 0.46 -0.21 0.94 -0.69 -2.79 0.00 0.00 177.10 174.81 2k6p s VAL 69 N 2.65 4.60 0.00 -5.21 1.01 -1.23 -4.97 120.40 117.25 2k6p s VAL 69 Ca 0.15 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2k6p s VAL 69 Cb -0.06 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2k6p s VAL 69 CO -0.22 0.29 0.00 -0.81 0.00 0.00 0.00 175.10 174.37 2k6p n PRO 70 N 3.02 -0.07 -2.77 2.72 -0.04 -1.26 -4.53 135.00 132.08 2k6p n PRO 70 Ca 0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 2k6p n PRO 70 Cb 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 2k6p n PRO 70 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k6p s ARG 71 N -2.37 3.93 0.00 0.54 3.52 -1.26 -3.35 118.95 119.96 2k6p s ARG 71 Ca 0.00 -2.10 0.00 0.00 -0.13 0.00 0.00 55.73 53.50 2k6p s ARG 71 Cb 0.00 -5.25 0.00 0.00 -1.56 0.00 0.00 34.95 28.14 2k6p s ARG 71 CO 0.00 -2.00 0.00 1.63 -0.81 0.00 0.00 175.30 174.12 2k6p n LYS 72 N 7.14 0.00 -0.00 5.12 4.76 -1.26 -4.96 118.16 128.96 2k6p n LYS 72 Ca 0.39 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.88 2k6p n LYS 72 Cb 0.46 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.57 2k6p n LYS 72 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k6p n ASP 73 N -1.05 1.86 -0.05 4.39 9.92 -1.25 -4.54 116.55 125.84 2k6p n ASP 73 Ca 0.00 -0.26 0.23 0.00 -0.53 0.00 0.00 54.79 54.23 2k6p n ASP 73 Cb 0.00 1.31 0.71 0.00 -0.64 0.00 0.00 41.12 42.50 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 0.64 -0.82 -3.53 1.03 -1.82 0.32 112.91 108.74 2k6p h THR 74 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.04 2k6p h THR 74 Cb 0.39 0.67 -0.22 0.00 -1.07 0.00 0.00 68.15 67.92 2k6p h THR 74 CO 0.00 0.00 0.46 0.00 -0.01 0.00 0.00 175.52 175.97 2k6p n HIS 75 N -4.28 2.59 -0.60 0.00 1.44 -1.26 -4.00 115.22 109.10 2k6p n HIS 75 Ca 0.12 -1.48 0.00 0.00 -2.01 0.00 0.00 57.72 54.35 2k6p n HIS 75 Cb 0.72 -0.79 0.00 0.00 0.12 0.00 0.00 29.99 30.04 2k6p n HIS 75 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2k6p n LEU 76 N -0.64 0.66 0.00 2.39 4.77 0.11 -4.77 117.00 119.52 2k6p n LEU 76 Ca 0.48 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2k6p n LEU 76 Cb 1.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.56 2k6p n LEU 76 CO 0.49 0.17 -0.31 -1.22 -1.33 0.00 0.00 177.39 175.19 2k6p n TYR 77 N -0.13 0.00 -3.70 -1.77 4.01 -1.22 -4.68 117.16 109.67 2k6p n TYR 77 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 2k6p n TYR 77 Cb 0.32 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 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 -1.57 -0.00 0.01 -0.72 2.07 -1.26 0.10 121.20 119.83 2k6p s ILE 78 Ca 0.00 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.25 2k6p s ILE 78 Cb 0.00 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 2k6p s ILE 78 CO 0.00 0.01 -0.01 0.00 -1.91 0.00 0.00 174.94 173.03 2k6p s ALA 79 N 0.50 0.06 -0.39 1.50 0.00 -0.91 -4.78 121.76 117.73 2k6p s ALA 79 Ca -0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2k6p s ALA 79 Cb -0.04 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2k6p s ALA 79 CO -0.02 -0.13 1.57 -1.25 0.00 0.00 0.00 175.76 175.92 2k6p s PRO 80 N -1.17 3.45 0.67 0.00 0.04 -1.26 -0.53 135.00 136.19 2k6p s PRO 80 Ca -0.13 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 2k6p s PRO 80 Cb -0.08 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.35 2k6p s PRO 80 CO -0.01 -1.72 1.05 0.21 0.04 0.00 0.00 177.00 176.57 2k6p s LYS 81 N 5.29 3.12 0.01 4.56 2.20 0.44 -4.95 119.74 130.40 2k6p s LYS 81 Ca 0.68 0.91 -0.10 0.00 -0.36 0.00 0.00 55.97 57.10 2k6p s LYS 81 Cb -0.17 -2.01 0.01 0.00 -1.51 0.00 0.00 37.83 34.15 2k6p s LYS 81 CO 0.32 -0.95 0.20 0.99 -0.36 0.00 0.00 175.35 175.55 2k6p s THR 82 N -3.06 0.09 -0.03 3.43 2.01 -1.26 -4.71 115.64 112.10 2k6p s THR 82 Ca 0.57 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 2k6p s THR 82 Cb -0.13 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.76 2k6p s THR 82 CO 0.54 -0.39 0.24 -0.54 -0.69 0.00 0.00 174.62 173.78 2k6p s LYS 83 N -1.75 0.50 0.00 4.92 -0.14 -1.26 -5.23 119.74 116.78 2k6p s LYS 83 Ca -0.11 -0.10 0.18 0.00 -1.36 0.00 0.00 55.97 54.58 2k6p s LYS 83 Cb -0.05 0.22 1.10 0.00 -1.68 0.00 0.00 37.83 37.42 2k6p s LYS 83 CO 0.01 -0.12 1.50 0.39 -0.76 0.00 0.00 175.35 176.37