#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 0.35 0.33 2.12 0.52 -1.26 -0.86 118.95 120.16 2k6p s ARG 2 Ca 0.00 -0.15 0.11 0.00 -0.52 0.00 0.00 55.73 55.17 2k6p s ARG 2 Cb 0.00 -0.34 0.92 0.00 0.52 0.00 0.00 34.95 36.05 2k6p s ARG 2 CO 0.00 0.09 1.74 0.97 0.02 0.00 0.00 175.30 178.12 2k6p h ILE 3 N 5.05 0.53 0.27 1.52 -0.00 -1.90 1.13 117.51 124.11 2k6p h ILE 3 Ca -0.27 -0.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.40 2k6p h ILE 3 Cb 1.19 -0.07 -0.04 0.00 -0.00 0.00 0.00 36.82 37.91 2k6p h ILE 3 CO 0.50 0.10 -0.49 -2.24 -0.00 0.00 0.00 178.15 176.02 2k6p h ASP 4 N 0.55 -1.42 0.21 2.19 3.04 -1.83 -2.69 116.42 116.47 2k6p h ASP 4 Ca 0.64 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 54.57 2k6p h ASP 4 Cb 1.27 0.50 0.00 0.00 -1.04 0.00 0.00 39.33 40.07 2k6p h ASP 4 CO -0.45 -0.58 -0.23 0.29 -2.04 0.00 0.00 179.24 176.23 2k6p n LYS 5 N -5.51 0.94 0.05 4.15 5.02 -0.76 -3.42 118.16 118.63 2k6p n LYS 5 Ca -0.10 -0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 55.61 2k6p n LYS 5 Cb 0.42 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.36 -0.18 0.00 2.13 3.57 0.16 -3.00 116.94 120.97 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 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2k6p h PHE 6 CO 0.00 -0.11 -0.41 1.47 -2.23 0.00 0.00 178.31 177.03 2k6p n LEU 7 N -3.73 0.68 0.06 0.59 -0.00 -1.08 -2.61 117.00 110.92 2k6p n LEU 7 Ca -0.02 0.32 0.12 0.00 -0.00 0.00 0.00 56.01 56.42 2k6p n LEU 7 Cb 0.08 -0.24 0.09 0.00 -0.00 0.00 0.00 43.42 43.34 2k6p n LEU 7 CO 0.06 -0.07 0.18 0.00 -0.00 0.00 0.00 177.39 177.56 2k6p n GLN 8 N -2.07 0.38 -0.10 1.47 6.02 -1.22 -2.89 117.38 118.97 2k6p n GLN 8 Ca 0.04 0.08 -0.12 0.00 -0.01 0.00 0.00 57.00 56.98 2k6p n GLN 8 Cb 0.42 -1.70 -0.13 0.00 1.02 0.00 0.00 30.24 29.85 2k6p n GLN 8 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k6p n SER 9 N -2.23 1.26 -0.06 1.08 7.64 -1.13 -4.40 113.62 115.76 2k6p n SER 9 Ca 0.02 -0.06 0.14 0.00 1.01 0.00 0.00 58.87 59.98 2k6p n SER 9 Cb 0.47 0.34 0.55 0.00 -1.01 0.00 0.00 64.21 64.56 2k6p n SER 9 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2k6p h VAL 10 N 0.00 0.84 0.00 0.44 -1.51 -1.56 -3.27 116.25 111.20 2k6p h VAL 10 Ca -0.51 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2k6p h VAL 10 Cb 1.99 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 2k6p h VAL 10 CO -0.02 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2k6p n GLY 11 N -1.55 1.52 0.13 5.19 0.00 -1.26 -4.48 105.19 104.75 2k6p n GLY 11 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2k6p n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6p n LEU 12 N 0.00 2.38 -4.05 0.99 4.77 -1.14 -4.88 117.00 115.07 2k6p n LEU 12 Ca 0.00 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.83 2k6p n LEU 12 Cb 0.00 -0.90 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 2k6p n LEU 12 CO 0.00 0.70 -0.45 0.68 -1.33 0.00 0.00 177.39 176.99 2k6p s VAL 13 N -2.50 2.06 -0.17 4.08 -7.23 -1.23 -5.07 120.40 110.33 2k6p s VAL 13 Ca -0.34 -1.58 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 2k6p s VAL 13 Cb 0.11 -2.20 0.05 0.00 0.56 0.00 0.00 36.38 34.90 2k6p s VAL 13 CO 0.57 -0.05 0.50 -0.54 -0.31 0.00 0.00 175.10 175.27 2k6p s LYS 14 N 1.15 0.62 0.18 4.82 -0.14 -1.26 -4.80 119.74 120.31 2k6p s LYS 14 Ca -0.08 0.63 0.00 0.00 -1.36 0.00 0.00 55.97 55.16 2k6p s LYS 14 Cb -0.20 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 2k6p s LYS 14 CO -0.05 -0.09 0.00 -2.13 -0.76 0.00 0.00 175.35 172.32 2k6p n ARG 15 N 2.64 0.00 0.00 1.68 3.00 -1.26 -5.07 116.66 117.64 2k6p n ARG 15 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2k6p n ARG 15 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 2k6p n ARG 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2k6p n ARG 16 N -3.02 0.00 -2.76 -0.14 1.85 -1.26 -5.12 116.66 106.21 2k6p n ARG 16 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 2k6p n ARG 16 Cb 0.00 -0.03 -0.06 0.00 -1.05 0.00 0.00 32.46 31.32 2k6p n ARG 16 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2k6p s VAL 17 N -1.61 4.18 -0.18 8.89 0.11 -1.26 -4.97 120.40 125.56 2k6p s VAL 17 Ca 0.00 1.72 0.19 0.00 -2.93 0.00 0.00 61.98 60.96 2k6p s VAL 17 Cb 0.00 -3.91 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 2k6p s VAL 17 CO 0.00 0.06 0.96 -0.07 -3.33 0.00 0.00 175.10 172.72 2k6p h LEU 18 N 2.91 0.00 0.00 2.54 3.38 -2.01 -3.47 115.31 118.66 2k6p h LEU 18 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k6p h LEU 18 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k6p h LEU 18 CO 0.64 0.34 0.00 0.00 0.09 0.00 0.00 178.44 179.51 2k6p n ALA 19 N -2.30 0.00 -3.42 1.53 0.00 -1.26 -5.02 120.51 110.04 2k6p n ALA 19 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 2k6p n ALA 19 Cb 0.72 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.00 2k6p n ALA 19 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2k6p s THR 20 N -0.80 1.44 -0.05 0.00 -1.32 -1.26 -5.00 115.64 108.65 2k6p s THR 20 Ca 0.00 -0.65 0.07 0.00 -1.21 0.00 0.00 61.69 59.90 2k6p s THR 20 Cb 0.00 -1.29 -0.10 0.00 -1.51 0.00 0.00 72.50 69.60 2k6p s THR 20 CO 0.00 0.42 0.08 -0.67 -2.21 0.00 0.00 174.62 172.24 2k6p n ASP 21 N 3.78 3.22 -0.36 8.08 2.03 -1.26 -4.62 116.55 127.42 2k6p n ASP 21 Ca -0.21 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.16 2k6p n ASP 21 Cb 0.52 0.92 0.23 0.00 -0.72 0.00 0.00 41.12 42.07 2k6p n ASP 21 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2k6p h MET 22 N 0.00 0.97 0.00 -0.67 2.86 -1.98 0.16 114.93 116.27 2k6p h MET 22 Ca -0.13 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 2k6p h MET 22 Cb 1.06 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 2k6p h MET 22 CO 0.01 0.64 -0.14 0.00 1.06 0.00 0.00 176.91 178.48 2k6p h ASN 24 N 0.00 0.00 -0.78 0.00 -1.24 -1.10 -3.37 115.58 109.10 2k6p h ASN 24 Ca -0.00 -0.50 0.05 0.00 0.71 0.00 0.00 56.30 56.56 2k6p h ASN 24 Cb 0.28 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 2k6p h ASN 24 CO 0.02 1.09 0.51 -0.37 -1.29 0.00 0.00 177.43 177.39 2k6p h VAL 25 N -1.00 1.08 0.00 2.57 -1.51 -0.78 -3.46 116.25 113.15 2k6p h VAL 25 Ca -0.14 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2k6p h VAL 25 Cb 0.91 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 2k6p h VAL 25 CO -0.09 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.03 2k6p n GLY 26 N -1.43 1.98 0.13 5.19 0.00 -0.08 -5.04 105.19 105.94 2k6p n GLY 26 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2k6p n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6p h ALA 27 N 0.00 0.33 -1.98 4.61 0.00 -0.45 -3.39 119.26 118.39 2k6p h ALA 27 Ca 0.00 -1.25 -0.57 0.00 0.00 0.00 0.00 54.91 53.08 2k6p h ALA 27 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2k6p h ALA 27 CO 0.00 1.20 1.28 0.08 0.00 0.00 0.00 179.25 181.81 2k6p s VAL 28 N -2.58 3.40 -0.15 0.00 1.01 -1.18 -3.52 120.40 117.37 2k6p s VAL 28 Ca -0.16 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 2k6p s VAL 28 Cb 0.06 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 33.03 2k6p s VAL 28 CO 0.82 -0.26 0.14 0.26 0.00 0.00 0.00 175.10 176.06 2k6p s TRP 29 N 6.52 -0.01 -0.03 5.22 0.52 -1.09 -1.62 118.94 128.44 2k6p s TRP 29 Ca 0.83 0.03 -0.03 0.00 0.02 0.00 0.00 56.10 56.95 2k6p s TRP 29 Cb -0.27 -0.51 -0.04 0.00 -1.15 0.00 0.00 33.47 31.50 2k6p s TRP 29 CO 0.33 -0.47 0.13 -1.17 0.02 0.00 0.00 176.95 175.80 2k6p s LEU 30 N 2.22 4.19 -1.28 2.99 0.20 0.94 -1.32 118.68 126.62 2k6p s LEU 30 Ca 0.04 0.30 -0.14 0.00 0.69 0.00 0.00 54.13 55.02 2k6p s LEU 30 Cb -0.15 -2.36 0.13 0.00 -0.43 0.00 0.00 46.19 43.37 2k6p s LEU 30 CO -0.09 0.30 0.46 -0.46 -0.29 0.00 0.00 176.35 176.28 2k6p n ASN 31 N 1.28 -2.47 -1.74 3.68 0.23 -1.23 0.10 115.26 115.11 2k6p n ASN 31 Ca -0.14 -0.58 -0.13 0.00 -0.53 0.00 0.00 54.58 53.21 2k6p n ASN 31 Cb 0.53 -2.11 0.02 0.00 -2.08 0.00 0.00 39.78 36.14 2k6p n ASN 31 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k6p n GLY 32 N -1.02 -0.04 3.04 4.83 0.00 -1.26 -5.02 105.19 105.72 2k6p n GLY 32 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 2k6p n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k6p s SER 33 N -2.75 0.07 0.15 1.61 0.15 0.29 -5.13 113.70 108.08 2k6p s SER 33 Ca 0.14 -0.22 -0.31 0.00 0.70 0.00 0.00 55.95 56.26 2k6p s SER 33 Cb -0.06 0.17 -0.10 0.00 -1.71 0.00 0.00 66.02 64.32 2k6p s SER 33 CO 0.17 -0.29 1.65 0.00 1.20 0.00 0.00 173.24 175.98 2k6p s ALA 35 N 1.70 0.58 0.97 0.00 0.00 -0.64 -4.81 121.76 119.56 2k6p s ALA 35 Ca 0.73 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2k6p s ALA 35 Cb -0.44 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2k6p s ALA 35 CO 0.32 -0.01 0.00 1.17 0.00 0.00 0.00 175.76 177.24 2k6p n LYS 36 N 1.47 0.74 -0.84 0.00 4.81 -1.26 -4.50 118.16 118.59 2k6p n LYS 36 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.09 2k6p n LYS 36 Cb 0.55 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.76 2k6p n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k6p n ALA 37 N -3.00 4.48 -2.32 3.14 0.00 -1.26 -3.95 120.51 117.61 2k6p n ALA 37 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 53.44 51.52 2k6p n ALA 37 Cb 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.44 0.75 -4.82 0.00 7.64 -1.26 -4.67 113.62 110.82 2k6p n SER 38 Ca 0.38 -2.07 -0.38 0.00 1.01 0.00 0.00 58.87 57.82 2k6p n SER 38 Cb 1.26 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 64.13 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 -0.13 4.11 -0.11 1.43 2.47 -1.25 -5.06 119.74 121.19 2k6p s LYS 39 Ca 0.24 0.63 -0.18 0.00 -1.56 0.00 0.00 55.97 55.11 2k6p s LYS 39 Cb 0.28 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 33.45 2k6p s LYS 39 CO -0.12 0.61 0.47 -1.21 0.16 0.00 0.00 175.35 175.26 2k6p s GLU 40 N -1.32 4.32 0.57 4.03 8.01 -1.26 -3.30 118.70 129.74 2k6p s GLU 40 Ca 0.30 0.44 0.07 0.00 0.01 0.00 0.00 54.97 55.80 2k6p s GLU 40 Cb -0.18 -3.43 0.06 0.00 -4.31 0.00 0.00 34.13 26.28 2k6p s GLU 40 CO 0.18 0.18 0.56 0.14 0.01 0.00 0.00 175.26 176.34 2k6p s VAL 41 N 0.54 1.76 0.29 2.63 -7.23 -0.04 -4.92 120.40 113.43 2k6p s VAL 41 Ca 0.26 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 58.97 2k6p s VAL 41 Cb -0.15 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2k6p s VAL 41 CO 0.10 0.00 0.60 -0.75 -0.31 0.00 0.00 175.10 174.75 2k6p s LYS 42 N -4.45 1.78 0.13 4.82 2.20 -1.26 -4.55 119.74 118.41 2k6p s LYS 42 Ca 0.44 -1.26 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 2k6p s LYS 42 Cb -0.03 0.54 -0.07 0.00 -1.51 0.00 0.00 37.83 36.75 2k6p s LYS 42 CO 0.28 -0.78 1.27 0.00 -0.36 0.00 0.00 175.35 175.75 2k6p s ALA 43 N -3.59 3.48 0.00 3.13 0.00 -1.26 -3.06 121.76 120.46 2k6p s ALA 43 Ca 0.19 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2k6p s ALA 43 Cb -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2k6p s ALA 43 CO 0.10 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2k6p n GLY 44 N 2.89 0.41 3.85 0.00 0.00 0.18 -4.96 105.19 107.56 2k6p n GLY 44 Ca 0.08 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.98 5.49 0.04 1.61 1.01 -1.17 -4.83 116.67 115.85 2k6p s ASP 45 Ca 0.00 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 52.83 2k6p s ASP 45 Cb 0.00 -1.25 -0.06 0.00 1.01 0.00 0.00 42.92 42.62 2k6p s ASP 45 CO 0.00 -0.18 0.38 -0.89 0.21 0.00 0.00 175.17 174.69 2k6p s THR 46 N -2.19 5.11 -0.27 -1.27 2.01 -1.26 0.79 115.64 118.55 2k6p s THR 46 Ca 0.37 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.89 2k6p s THR 46 Cb -0.07 -3.65 0.09 0.00 0.01 0.00 0.00 72.50 68.88 2k6p s THR 46 CO 0.26 0.40 0.07 -0.63 -0.69 0.00 0.00 174.62 174.02 2k6p s ILE 47 N -1.28 0.86 0.11 1.82 -1.09 0.89 -3.53 121.20 118.99 2k6p s ILE 47 Ca 0.29 -1.17 -0.14 0.00 -2.23 0.00 0.00 60.65 57.39 2k6p s ILE 47 Cb -0.15 -1.53 -0.07 0.00 -1.58 0.00 0.00 42.46 39.14 2k6p s ILE 47 CO 0.16 -0.50 0.51 -0.55 -1.23 0.00 0.00 174.94 173.33 2k6p s SER 48 N 1.65 6.81 0.10 3.58 0.15 -0.44 0.11 113.70 125.66 2k6p s SER 48 Ca 0.05 1.03 0.07 0.00 0.70 0.00 0.00 55.95 57.80 2k6p s SER 48 Cb -0.17 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2k6p s SER 48 CO -0.19 0.15 -0.17 -0.76 1.20 0.00 0.00 173.24 173.48 2k6p s LEU 49 N -1.79 2.32 -0.19 3.45 2.01 0.79 -2.68 118.68 122.59 2k6p s LEU 49 Ca 0.35 -0.69 -0.02 0.00 0.01 0.00 0.00 54.13 53.78 2k6p s LEU 49 Cb -0.15 -0.67 -0.01 0.00 0.01 0.00 0.00 46.19 45.37 2k6p s LEU 49 CO 0.18 -0.04 -0.09 -2.28 1.01 0.00 0.00 176.35 175.13 2k6p s HIS 50 N -1.43 2.89 0.35 0.29 5.65 -1.23 -2.33 115.29 119.48 2k6p s HIS 50 Ca 0.04 -0.95 0.04 0.00 0.25 0.00 0.00 55.06 54.44 2k6p s HIS 50 Cb -0.09 -1.99 -0.02 0.00 -1.18 0.00 0.00 32.58 29.30 2k6p s HIS 50 CO 0.03 -0.48 0.15 0.66 -0.65 0.00 0.00 174.74 174.45 2k6p n TYR 51 N 4.36 0.01 0.07 3.88 4.01 -0.62 -4.65 117.16 124.22 2k6p n TYR 51 Ca -0.19 -2.35 -0.12 0.00 -0.16 0.00 0.00 57.90 55.08 2k6p n TYR 51 Cb 0.51 0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.44 2k6p n TYR 51 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2k6p h LEU 52 N 0.00 0.21 -0.22 7.72 -0.00 -2.04 -3.30 115.31 117.68 2k6p h LEU 52 Ca -0.27 -0.24 -0.20 0.00 -0.00 0.00 0.00 57.88 57.17 2k6p h LEU 52 Cb 1.08 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 2k6p h LEU 52 CO 0.43 1.19 -0.91 0.07 -0.00 0.00 0.00 178.44 179.22 2k6p h LYS 53 N 0.04 0.08 0.00 0.17 2.10 -2.03 -3.49 116.57 113.44 2k6p h LYS 53 Ca -0.10 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2k6p h LYS 53 Cb 1.89 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 2k6p h LYS 53 CO 0.16 0.93 0.00 0.41 -2.00 0.00 0.00 179.45 178.95 2k6p n GLY 54 N 1.00 -0.62 3.52 0.07 0.00 -1.24 -5.14 105.19 102.78 2k6p n GLY 54 Ca -0.02 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.00 3.31 -0.12 -0.61 -1.09 -1.26 -1.60 121.20 116.83 2k6p s ILE 55 Ca 0.00 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 2k6p s ILE 55 Cb 0.00 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.57 2k6p s ILE 55 CO 0.00 0.57 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.50 2k6p s GLU 56 N -0.83 2.51 -0.45 2.79 2.02 -0.99 -4.96 118.70 118.79 2k6p s GLU 56 Ca 0.12 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.34 2k6p s GLU 56 Cb -0.11 -2.09 0.09 0.00 0.10 0.00 0.00 34.13 32.13 2k6p s GLU 56 CO 0.01 -0.05 0.32 -2.00 0.02 0.00 0.00 175.26 173.57 2k6p s GLU 57 N 0.93 2.65 0.77 1.61 2.12 -1.26 -0.15 118.70 125.37 2k6p s GLU 57 Ca -0.07 -1.55 -0.02 0.00 0.36 0.00 0.00 54.97 53.69 2k6p s GLU 57 Cb -0.15 -3.91 0.16 0.00 0.26 0.00 0.00 34.13 30.48 2k6p s GLU 57 CO -0.02 -1.06 1.06 0.66 -0.54 0.00 0.00 175.26 175.36 2k6p n TYR 58 N 4.98 -3.07 -3.71 5.30 4.02 0.29 0.50 117.16 125.46 2k6p n TYR 58 Ca -0.10 -1.71 -0.12 0.00 -0.01 0.00 0.00 57.90 55.96 2k6p n TYR 58 Cb 0.42 -0.78 -0.12 0.00 -0.02 0.00 0.00 39.34 38.84 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 -3.24 -0.08 -0.01 -0.72 2.01 -0.48 -0.08 115.64 113.05 2k6p s THR 59 Ca 0.68 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2k6p s THR 59 Cb -0.04 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 2k6p s THR 59 CO 0.46 0.06 1.25 -0.63 -0.69 0.00 0.00 174.62 175.06 2k6p s ILE 60 N 1.42 4.06 -2.04 1.82 1.01 0.24 -2.02 121.20 125.68 2k6p s ILE 60 Ca -0.08 1.43 0.18 0.00 0.00 0.00 0.00 60.65 62.17 2k6p s ILE 60 Cb -0.10 -3.92 0.10 0.00 0.01 0.00 0.00 42.46 38.55 2k6p s ILE 60 CO -0.10 0.03 1.01 0.18 0.00 0.00 0.00 174.94 176.07 2k6p n LEU 61 N 4.83 2.25 0.00 2.97 4.77 0.24 0.51 117.00 132.58 2k6p n LEU 61 Ca 0.11 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2k6p n LEU 61 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2k6p n LEU 61 CO 0.56 0.40 0.00 0.00 -1.33 0.00 0.00 177.39 177.02 2k6p n GLN 62 N 0.67 0.00 -3.73 3.23 1.13 -1.23 -4.76 117.38 112.69 2k6p n GLN 62 Ca 0.09 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.86 2k6p n GLN 62 Cb 0.42 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.62 2k6p n GLN 62 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2k6p s ILE 63 N -2.00 0.77 -1.28 5.09 -1.09 -1.26 -4.77 121.20 116.65 2k6p s ILE 63 Ca 0.00 -1.18 0.22 0.00 -2.23 0.00 0.00 60.65 57.46 2k6p s ILE 63 Cb 0.00 -1.50 0.32 0.00 -1.58 0.00 0.00 42.46 39.70 2k6p s ILE 63 CO 0.00 -0.56 1.71 -0.81 -1.23 0.00 0.00 174.94 174.05 2k6p n PRO 64 N 4.91 0.21 -2.96 2.79 -0.04 -1.26 -4.89 135.00 133.76 2k6p n PRO 64 Ca -0.04 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 2k6p n PRO 64 Cb 0.43 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.36 -0.81 -4.04 0.55 0.00 -1.26 -5.00 120.51 108.60 2k6p n ALA 65 Ca 0.09 0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 2k6p n ALA 65 Cb 0.20 -3.41 -0.05 0.00 0.00 0.00 0.00 19.45 16.18 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 -3.35 0.00 0.00 0.00 -0.00 -1.26 -5.00 117.00 107.39 2k6p n LEU 66 Ca -0.07 -2.69 0.00 0.00 -0.00 0.00 0.00 56.01 53.25 2k6p n LEU 66 Cb 0.58 1.73 0.00 0.00 -0.00 0.00 0.00 43.42 45.73 2k6p n LEU 66 CO 0.40 -0.50 0.00 0.29 -0.00 0.00 0.00 177.39 177.57 2k6p n LYS 67 N -0.54 0.00 -2.15 1.47 5.02 -1.26 -4.87 118.16 115.83 2k6p n LYS 67 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 2k6p n LYS 67 Cb 0.53 -0.21 -0.03 0.00 -0.02 0.00 0.00 35.03 35.30 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 -3.87 6.81 -0.02 4.39 2.47 -1.26 -3.60 114.94 119.85 2k6p s ASN 68 Ca 0.00 2.35 0.07 0.00 0.42 0.00 0.00 52.86 55.69 2k6p s ASN 68 Cb 0.00 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 2k6p s ASN 68 CO 0.00 -0.67 -0.22 -0.69 -3.72 0.00 0.00 177.10 171.80 2k6p s VAL 69 N 1.10 1.76 0.82 -5.21 1.01 -1.23 -4.95 120.40 113.70 2k6p s VAL 69 Ca 0.65 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 2k6p s VAL 69 Cb -0.37 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2k6p s VAL 69 CO 0.30 0.50 0.67 -2.65 0.00 0.00 0.00 175.10 173.92 2k6p n PRO 70 N 2.64 0.09 -1.60 2.72 -0.02 -1.26 -4.79 135.00 132.77 2k6p n PRO 70 Ca -0.16 0.09 -0.31 0.00 -2.02 0.00 0.00 63.50 61.09 2k6p n PRO 70 Cb 0.52 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.68 3.35 0.14 -0.52 0.63 -1.26 -3.66 116.66 113.66 2k6p n ARG 71 Ca 0.10 -2.60 0.00 0.00 -0.92 0.00 0.00 57.85 54.43 2k6p n ARG 71 Cb 0.51 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.03 2k6p n ARG 71 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2k6p n LYS 72 N 1.70 0.00 -1.10 -0.14 4.76 -1.26 -4.92 118.16 117.20 2k6p n LYS 72 Ca 0.57 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.83 2k6p n LYS 72 Cb 0.44 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.81 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 -3.22 3.50 -0.22 4.39 8.00 -1.26 -4.49 116.55 123.25 2k6p n ASP 73 Ca 0.00 -3.69 0.14 0.00 0.71 0.00 0.00 54.79 51.95 2k6p n ASP 73 Cb 0.00 -0.77 0.72 0.00 -0.02 0.00 0.00 41.12 41.05 2k6p n ASP 73 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2k6p n THR 74 N -1.12 0.01 -1.35 -3.53 5.66 -1.24 -3.54 114.28 109.17 2k6p n THR 74 Ca 0.51 -0.12 0.01 0.00 -3.05 0.00 0.00 64.05 61.40 2k6p n THR 74 Cb 1.39 -0.05 0.21 0.00 -1.55 0.00 0.00 70.33 70.33 2k6p n THR 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6p n HIS 75 N -0.46 0.76 -0.03 1.09 1.44 -1.26 -4.56 115.22 112.20 2k6p n HIS 75 Ca 0.21 -1.38 -0.04 0.00 -2.01 0.00 0.00 57.72 54.50 2k6p n HIS 75 Cb 0.21 -0.38 -0.04 0.00 0.12 0.00 0.00 29.99 29.90 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 -1.04 1.23 0.18 2.39 4.77 -1.23 -4.58 117.00 118.71 2k6p n LEU 76 Ca 0.27 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.37 2k6p n LEU 76 Cb 0.91 -0.02 0.48 0.00 -2.33 0.00 0.00 43.42 42.46 2k6p n LEU 76 CO 0.13 0.35 0.89 1.88 -1.33 0.00 0.00 177.39 179.31 2k6p h TYR 77 N 0.00 0.00 -2.79 -1.77 0.05 -1.80 -3.40 116.97 107.26 2k6p h TYR 77 Ca -0.17 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.48 2k6p h TYR 77 Cb 1.33 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.82 2k6p h TYR 77 CO 0.00 0.00 -0.28 -1.50 -1.05 0.00 0.00 178.16 175.33 2k6p s ILE 78 N -3.35 -0.01 -0.01 -2.88 2.07 -1.26 0.83 121.20 116.59 2k6p s ILE 78 Ca 0.05 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 2k6p s ILE 78 Cb 0.09 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 42.14 2k6p s ILE 78 CO 0.51 0.01 0.03 0.00 -1.91 0.00 0.00 174.94 173.58 2k6p s ALA 79 N 0.46 -0.07 0.06 1.50 0.00 -0.86 -4.72 121.76 118.13 2k6p s ALA 79 Ca -0.02 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2k6p s ALA 79 Cb -0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 2k6p s ALA 79 CO -0.02 -0.02 1.93 -2.14 0.00 0.00 0.00 175.76 175.51 2k6p s PRO 80 N 0.10 4.14 -0.11 0.00 0.02 -1.26 -1.38 135.00 136.52 2k6p s PRO 80 Ca -0.01 2.61 -0.25 0.00 0.02 0.00 0.00 61.00 63.38 2k6p s PRO 80 Cb -0.01 -4.00 -0.03 0.00 0.02 0.00 0.00 34.50 30.48 2k6p s PRO 80 CO -0.00 -0.93 0.80 0.21 -0.33 0.00 0.00 177.00 176.75 2k6p s LYS 81 N 3.97 4.39 -0.16 5.54 2.20 0.18 -4.93 119.74 130.93 2k6p s LYS 81 Ca 0.86 1.02 -0.16 0.00 -0.36 0.00 0.00 55.97 57.34 2k6p s LYS 81 Cb -0.44 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2k6p s LYS 81 CO 0.40 -0.14 0.44 0.95 -0.36 0.00 0.00 175.35 176.64 2k6p s THR 82 N 1.47 0.00 -0.42 3.43 -4.23 -1.26 -4.54 115.64 110.09 2k6p s THR 82 Ca 0.40 -0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 2k6p s THR 82 Cb -0.18 -0.62 0.20 0.00 1.34 0.00 0.00 72.50 73.24 2k6p s THR 82 CO 0.17 -0.01 0.49 0.29 -0.54 0.00 0.00 174.62 175.02 2k6p n LYS 83 N 2.73 0.44 0.00 3.99 4.76 -1.26 -5.25 118.16 123.57 2k6p n LYS 83 Ca -0.14 -2.93 0.11 0.00 -2.87 0.00 0.00 58.31 52.49 2k6p n LYS 83 Cb 0.57 -1.48 0.66 0.00 -1.84 0.00 0.00 35.03 32.94 2k6p n LYS 83 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42