#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 0.51 0.55 2.12 3.00 -1.26 0.50 118.95 124.37 2k6p s ARG 2 Ca 0.00 -0.54 0.45 0.00 0.00 0.00 0.00 55.73 55.64 2k6p s ARG 2 Cb 0.00 -0.37 1.66 0.00 0.00 0.00 0.00 34.95 36.24 2k6p s ARG 2 CO 0.00 0.08 1.66 0.97 0.00 0.00 0.00 175.30 178.02 2k6p h ILE 3 N 4.69 0.16 0.71 1.52 -0.00 -1.92 1.18 117.51 123.86 2k6p h ILE 3 Ca -0.33 -0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.49 2k6p h ILE 3 Cb 1.20 0.15 0.01 0.00 -0.00 0.00 0.00 36.82 38.18 2k6p h ILE 3 CO 0.44 0.00 -0.34 -0.78 -0.00 0.00 0.00 178.15 177.47 2k6p h ASP 4 N 0.01 -0.81 0.22 2.19 1.82 -1.87 -3.20 116.42 114.77 2k6p h ASP 4 Ca 0.80 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.45 2k6p h ASP 4 Cb 3.18 0.21 0.00 0.00 0.68 0.00 0.00 39.33 43.40 2k6p h ASP 4 CO -0.02 -0.46 -0.24 0.29 -1.61 0.00 0.00 179.24 177.20 2k6p n LYS 5 N -5.43 0.90 0.06 0.28 5.02 0.01 -3.43 118.16 115.56 2k6p n LYS 5 Ca -0.13 -0.53 -0.03 0.00 -2.02 0.00 0.00 58.31 55.60 2k6p n LYS 5 Cb 0.39 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 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 1.29 -0.20 0.00 2.13 3.04 0.13 -2.70 116.94 120.63 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 0.51 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.08 2k6p h PHE 6 CO 0.00 -0.12 -0.29 1.37 -2.02 0.00 0.00 178.31 177.25 2k6p h LEU 7 N -0.70 0.00 0.00 0.59 8.10 -1.76 -3.25 115.31 118.30 2k6p h LEU 7 Ca -0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 2k6p h LEU 7 Cb 0.16 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.38 2k6p h LEU 7 CO 0.04 0.04 -1.06 0.00 -4.11 0.00 0.00 178.44 173.34 2k6p n GLN 8 N -2.39 0.61 -0.62 0.17 6.02 -1.22 -3.33 117.38 116.62 2k6p n GLN 8 Ca 0.04 0.13 0.06 0.00 -0.01 0.00 0.00 57.00 57.22 2k6p n GLN 8 Cb 0.46 -1.82 0.29 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.69 4.21 -0.01 1.08 7.64 -1.02 -4.36 113.62 118.47 2k6p n SER 9 Ca -0.01 -3.09 0.02 0.00 1.01 0.00 0.00 58.87 56.80 2k6p n SER 9 Cb 0.58 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 2k6p n SER 9 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2k6p n VAL 10 N -0.32 0.11 0.00 0.44 0.24 -1.23 -0.49 118.33 117.08 2k6p n VAL 10 Ca 0.26 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2k6p n VAL 10 Cb 1.02 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2k6p n VAL 10 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6p n GLY 11 N 2.24 1.29 0.43 7.63 0.00 -1.26 -4.78 105.19 110.74 2k6p n GLY 11 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.66 -4.36 0.99 4.77 -1.21 -5.09 117.00 113.76 2k6p n LEU 12 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2k6p n LEU 12 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2k6p n LEU 12 CO 0.00 0.26 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.17 2k6p s VAL 13 N -1.95 1.88 0.43 4.08 1.01 -1.21 -5.03 120.40 119.61 2k6p s VAL 13 Ca 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 61.98 59.87 2k6p s VAL 13 Cb 0.00 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2k6p s VAL 13 CO 0.00 -0.48 0.38 0.29 0.00 0.00 0.00 175.10 175.29 2k6p n LYS 14 N -0.21 0.83 -1.43 2.72 4.76 -1.26 -4.63 118.16 118.93 2k6p n LYS 14 Ca -0.09 -2.60 0.11 0.00 -2.87 0.00 0.00 58.31 52.86 2k6p n LYS 14 Cb 0.59 0.18 -0.06 0.00 -1.84 0.00 0.00 35.03 33.90 2k6p n LYS 14 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k6p n ARG 15 N -1.60 -3.49 -2.96 1.97 1.74 -1.26 -5.04 116.66 106.02 2k6p n ARG 15 Ca 0.01 2.80 0.00 0.00 -0.77 0.00 0.00 57.85 59.90 2k6p n ARG 15 Cb 0.48 -3.80 0.01 0.00 -1.02 0.00 0.00 32.46 28.13 2k6p n ARG 15 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2k6p n ARG 16 N -3.66 0.21 -0.89 5.56 1.85 -1.26 -4.98 116.66 113.50 2k6p n ARG 16 Ca -0.06 -0.60 0.11 0.00 -1.00 0.00 0.00 57.85 56.29 2k6p n ARG 16 Cb 0.59 0.90 -0.06 0.00 -1.05 0.00 0.00 32.46 32.84 2k6p n ARG 16 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k6p n VAL 17 N -0.48 -0.48 0.00 8.89 0.31 -1.26 -4.73 118.33 120.58 2k6p n VAL 17 Ca 0.01 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 2k6p n VAL 17 Cb 0.33 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2k6p n VAL 17 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k6p n LEU 18 N -3.47 0.00 -3.61 7.52 4.32 -1.26 -4.67 117.00 115.83 2k6p n LEU 18 Ca -0.05 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.92 2k6p n LEU 18 Cb 0.42 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.21 2k6p n LEU 18 CO 0.02 0.00 1.01 0.00 -1.22 0.00 0.00 177.39 177.20 2k6p s ALA 19 N -0.61 -2.12 0.51 -1.18 0.00 -1.26 -5.17 121.76 111.94 2k6p s ALA 19 Ca 0.00 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2k6p s ALA 19 Cb 0.00 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2k6p s ALA 19 CO 0.00 -0.79 0.49 -0.08 0.00 0.00 0.00 175.76 175.39 2k6p s THR 20 N -2.47 2.09 -0.09 0.00 -1.32 -1.26 -4.88 115.64 107.72 2k6p s THR 20 Ca 0.11 -1.32 0.09 0.00 -1.21 0.00 0.00 61.69 59.36 2k6p s THR 20 Cb 0.01 -2.41 -0.12 0.00 -1.51 0.00 0.00 72.50 68.47 2k6p s THR 20 CO -0.04 0.00 0.05 -0.67 -2.21 0.00 0.00 174.62 171.75 2k6p n ASP 21 N -1.82 2.61 -0.12 8.08 -0.08 -1.26 -4.55 116.55 119.41 2k6p n ASP 21 Ca 0.04 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.47 2k6p n ASP 21 Cb 0.63 0.82 0.52 0.00 2.34 0.00 0.00 41.12 45.42 2k6p n ASP 21 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 2k6p h MET 22 N 0.00 0.36 0.00 -0.67 2.86 -1.97 0.21 114.93 115.73 2k6p h MET 22 Ca -0.24 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 2k6p h MET 22 Cb 1.48 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 2k6p h MET 22 CO 0.01 0.24 -0.10 0.00 1.06 0.00 0.00 176.91 178.13 2k6p n ASN 24 N -3.49 1.87 -0.19 0.00 5.15 0.64 -4.30 115.26 114.93 2k6p n ASN 24 Ca -0.02 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2k6p n ASN 24 Cb 0.24 -0.95 0.25 0.00 -0.53 0.00 0.00 39.78 38.79 2k6p n ASN 24 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2k6p h VAL 25 N -0.97 1.19 0.00 3.44 -1.51 -1.23 -3.46 116.25 113.72 2k6p h VAL 25 Ca -0.38 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2k6p h VAL 25 Cb 1.35 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2k6p h VAL 25 CO -0.22 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 176.92 2k6p n GLY 26 N -1.35 1.45 0.90 5.19 0.00 -0.29 -5.04 105.19 106.04 2k6p n GLY 26 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.02 3.97 -3.55 4.61 0.00 0.22 -4.41 120.51 121.33 2k6p n ALA 27 Ca 0.00 -3.18 -0.29 0.00 0.00 0.00 0.00 53.44 49.96 2k6p n ALA 27 Cb 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.23 0.38 -0.10 0.00 1.01 -1.23 -4.28 120.40 112.96 2k6p s VAL 28 Ca 0.41 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 2k6p s VAL 28 Cb 0.39 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.51 2k6p s VAL 28 CO -0.03 -0.87 -0.02 0.26 0.00 0.00 0.00 175.10 174.44 2k6p s TRP 29 N 1.28 0.98 -0.28 5.22 0.52 -1.25 -0.82 118.94 124.58 2k6p s TRP 29 Ca 0.15 -0.42 -0.15 0.00 0.02 0.00 0.00 56.10 55.70 2k6p s TRP 29 Cb -0.21 -0.97 -0.03 0.00 -1.15 0.00 0.00 33.47 31.11 2k6p s TRP 29 CO -0.12 -0.42 0.36 -1.17 0.02 0.00 0.00 176.95 175.63 2k6p s LEU 30 N 1.87 4.10 -1.25 2.99 0.20 0.12 -1.99 118.68 124.72 2k6p s LEU 30 Ca 0.04 0.18 -0.01 0.00 0.69 0.00 0.00 54.13 55.03 2k6p s LEU 30 Cb -0.13 -2.39 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 2k6p s LEU 30 CO -0.06 -0.20 0.95 -3.20 -0.29 0.00 0.00 176.35 173.54 2k6p n ASN 31 N 5.33 -2.38 -2.43 3.68 5.15 -1.09 -1.94 115.26 121.58 2k6p n ASN 31 Ca -0.09 -0.67 -0.20 0.00 -0.60 0.00 0.00 54.58 53.03 2k6p n ASN 31 Cb 0.51 -4.82 0.01 0.00 -0.53 0.00 0.00 39.78 34.94 2k6p n ASN 31 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k6p n GLY 32 N -1.35 -0.44 2.88 8.20 0.00 -1.26 -4.99 105.19 108.23 2k6p n GLY 32 Ca -0.25 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.33 0.54 -0.09 1.61 0.15 -0.82 -5.10 113.70 107.66 2k6p s SER 33 Ca 0.10 -0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.37 2k6p s SER 33 Cb -0.04 -0.20 -0.09 0.00 -1.71 0.00 0.00 66.02 63.98 2k6p s SER 33 CO 0.12 -0.03 2.03 0.00 1.20 0.00 0.00 173.24 176.56 2k6p s ALA 35 N 5.57 2.11 0.54 0.00 0.00 -0.00 -4.84 121.76 125.15 2k6p s ALA 35 Ca 0.95 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2k6p s ALA 35 Cb -0.51 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2k6p s ALA 35 CO 0.44 0.28 0.00 1.17 0.00 0.00 0.00 175.76 177.64 2k6p n LYS 36 N 0.31 1.62 -0.80 0.00 4.81 -1.26 -4.53 118.16 118.30 2k6p n LYS 36 Ca -0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.19 2k6p n LYS 36 Cb 0.57 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.78 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 4.39 -2.34 3.14 0.00 -1.26 -3.93 120.51 117.52 2k6p n ALA 37 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 53.44 51.60 2k6p n ALA 37 Cb 0.00 -1.26 0.01 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 -0.40 0.59 -4.61 0.00 7.64 -1.26 -4.82 113.62 110.77 2k6p n SER 38 Ca 0.37 -1.97 -0.39 0.00 1.01 0.00 0.00 58.87 57.88 2k6p n SER 38 Cb 1.23 -0.22 -0.09 0.00 -1.01 0.00 0.00 64.21 64.12 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 4.03 -0.35 1.43 2.47 -1.25 -5.04 119.74 121.02 2k6p s LYS 39 Ca 0.23 0.13 -0.25 0.00 -1.56 0.00 0.00 55.97 54.52 2k6p s LYS 39 Cb 0.26 -3.66 0.01 0.00 -1.46 0.00 0.00 37.83 32.99 2k6p s LYS 39 CO -0.11 -0.31 0.87 -2.00 0.16 0.00 0.00 175.35 173.96 2k6p s GLU 40 N 2.15 3.86 0.68 4.03 2.12 -1.26 -3.24 118.70 127.04 2k6p s GLU 40 Ca 0.17 0.55 -0.07 0.00 0.36 0.00 0.00 54.97 55.98 2k6p s GLU 40 Cb -0.16 -3.78 0.04 0.00 0.26 0.00 0.00 34.13 30.49 2k6p s GLU 40 CO 0.10 -0.86 1.00 0.14 -0.54 0.00 0.00 175.26 175.10 2k6p s VAL 41 N 3.29 2.82 0.35 3.70 -7.23 0.18 -4.95 120.40 118.56 2k6p s VAL 41 Ca 0.36 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.50 2k6p s VAL 41 Cb -0.13 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 2k6p s VAL 41 CO 0.17 -0.22 0.15 0.29 -0.31 0.00 0.00 175.10 175.18 2k6p n LYS 42 N -2.86 0.57 -2.46 4.82 4.76 -1.26 -4.18 118.16 117.55 2k6p n LYS 42 Ca 0.07 -3.01 -0.38 0.00 -2.87 0.00 0.00 58.31 52.11 2k6p n LYS 42 Cb 0.59 1.80 -0.04 0.00 -1.84 0.00 0.00 35.03 35.54 2k6p n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k6p s ALA 43 N -3.02 3.23 -1.03 7.82 0.00 -1.26 -3.33 121.76 124.17 2k6p s ALA 43 Ca 0.21 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2k6p s ALA 43 Cb 0.01 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2k6p s ALA 43 CO 0.15 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2k6p n GLY 44 N 0.75 0.13 3.88 0.00 0.00 0.29 -4.95 105.19 105.30 2k6p n GLY 44 Ca 0.02 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.55 5.26 -0.04 1.61 1.01 -1.17 -4.83 116.67 115.96 2k6p s ASP 45 Ca 0.00 -0.57 -0.04 0.00 0.71 0.00 0.00 52.55 52.65 2k6p s ASP 45 Cb 0.00 -0.80 -0.04 0.00 1.01 0.00 0.00 42.92 43.09 2k6p s ASP 45 CO 0.00 -0.51 0.16 -0.89 0.21 0.00 0.00 175.17 174.15 2k6p s THR 46 N -2.37 5.40 -0.33 -1.27 2.01 -1.26 1.00 115.64 118.82 2k6p s THR 46 Ca 0.45 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.39 2k6p s THR 46 Cb -0.05 -3.47 0.10 0.00 0.01 0.00 0.00 72.50 69.09 2k6p s THR 46 CO 0.28 0.41 0.08 -0.63 -0.69 0.00 0.00 174.62 174.07 2k6p s ILE 47 N -1.23 1.65 0.36 1.82 -1.09 0.26 -2.67 121.20 120.30 2k6p s ILE 47 Ca 0.24 -1.96 -0.20 0.00 -2.23 0.00 0.00 60.65 56.50 2k6p s ILE 47 Cb -0.12 -2.23 -0.10 0.00 -1.58 0.00 0.00 42.46 38.43 2k6p s ILE 47 CO 0.14 -0.65 0.86 -0.44 -1.23 0.00 0.00 174.94 173.63 2k6p s SER 48 N 1.18 6.97 -0.08 3.58 0.01 -0.84 0.16 113.70 124.67 2k6p s SER 48 Ca 0.11 1.57 -0.06 0.00 1.31 0.00 0.00 55.95 58.88 2k6p s SER 48 Cb -0.18 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2k6p s SER 48 CO -0.15 -0.23 0.21 -0.76 0.41 0.00 0.00 173.24 172.72 2k6p s LEU 49 N -2.81 0.89 -0.23 2.44 1.43 -0.51 -3.89 118.68 116.00 2k6p s LEU 49 Ca 0.56 0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 2k6p s LEU 49 Cb -0.12 0.65 -0.05 0.00 0.03 0.00 0.00 46.19 46.71 2k6p s LEU 49 CO 0.17 -0.11 0.22 -2.28 0.23 0.00 0.00 176.35 174.58 2k6p s HIS 50 N 0.64 3.34 0.42 0.29 5.65 -1.26 -1.59 115.29 122.78 2k6p s HIS 50 Ca -0.04 0.33 0.03 0.00 0.25 0.00 0.00 55.06 55.63 2k6p s HIS 50 Cb -0.06 -2.33 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 2k6p s HIS 50 CO -0.03 0.06 0.06 0.71 -0.65 0.00 0.00 174.74 174.88 2k6p s TYR 51 N 1.08 1.97 0.01 3.88 1.51 0.10 -4.82 117.35 121.08 2k6p s TYR 51 Ca 0.10 -1.02 -0.22 0.00 -1.01 0.00 0.00 57.07 54.93 2k6p s TYR 51 Cb -0.14 -1.42 -0.18 0.00 -0.11 0.00 0.00 41.96 40.11 2k6p s TYR 51 CO 0.05 0.05 1.24 1.37 -1.11 0.00 0.00 175.55 177.15 2k6p h LEU 52 N 1.72 0.34 -1.04 -1.29 8.10 -2.03 -3.21 115.31 117.89 2k6p h LEU 52 Ca -0.41 -0.58 -0.10 0.00 0.11 0.00 0.00 57.88 56.91 2k6p h LEU 52 Cb 1.27 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2k6p h LEU 52 CO 0.69 0.85 -0.42 0.07 -4.11 0.00 0.00 178.44 175.51 2k6p h LYS 53 N -0.16 0.11 0.00 0.17 2.10 -2.03 -3.48 116.57 113.28 2k6p h LYS 53 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2k6p h LYS 53 Cb 0.80 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2k6p h LYS 53 CO 0.04 0.52 0.00 0.41 -2.00 0.00 0.00 179.45 178.43 2k6p n GLY 54 N -0.23 -0.59 3.24 0.07 0.00 -1.21 -5.14 105.19 101.32 2k6p n GLY 54 Ca -0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.39 1.98 -0.08 -0.61 1.09 -1.26 0.03 121.20 118.95 2k6p s ILE 55 Ca 0.00 -1.02 0.01 0.00 -1.10 0.00 0.00 60.65 58.54 2k6p s ILE 55 Cb 0.00 -1.69 0.02 0.00 -1.06 0.00 0.00 42.46 39.73 2k6p s ILE 55 CO 0.00 0.55 -0.08 -1.61 -0.10 0.00 0.00 174.94 173.70 2k6p s GLU 56 N -0.05 1.42 -0.19 2.79 2.02 -0.62 -4.90 118.70 119.18 2k6p s GLU 56 Ca -0.06 -0.26 -0.04 0.00 0.02 0.00 0.00 54.97 54.62 2k6p s GLU 56 Cb -0.14 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.69 2k6p s GLU 56 CO 0.04 -0.14 -0.03 -1.83 0.02 0.00 0.00 175.26 173.32 2k6p s GLU 57 N 1.26 3.57 0.67 1.61 -1.05 -1.26 -1.43 118.70 122.08 2k6p s GLU 57 Ca -0.04 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 2k6p s GLU 57 Cb -0.14 -2.99 0.13 0.00 -0.44 0.00 0.00 34.13 30.69 2k6p s GLU 57 CO -0.03 0.05 0.92 0.66 0.95 0.00 0.00 175.26 177.82 2k6p n TYR 58 N 4.10 -2.77 -3.85 4.83 4.02 0.43 -1.04 117.16 122.87 2k6p n TYR 58 Ca -0.17 -1.82 -0.18 0.00 -0.01 0.00 0.00 57.90 55.71 2k6p n TYR 58 Cb 0.52 -0.66 -0.17 0.00 -0.02 0.00 0.00 39.34 39.01 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 -2.87 0.13 -0.01 -0.72 2.01 -0.31 0.92 115.64 114.79 2k6p s THR 59 Ca 0.63 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 2k6p s THR 59 Cb -0.04 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 2k6p s THR 59 CO 0.41 0.16 1.09 -0.63 -0.69 0.00 0.00 174.62 174.97 2k6p s ILE 60 N 1.33 4.49 -0.55 1.82 1.01 0.28 -1.80 121.20 127.77 2k6p s ILE 60 Ca -0.05 1.79 0.22 0.00 0.00 0.00 0.00 60.65 62.60 2k6p s ILE 60 Cb -0.13 -4.15 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 2k6p s ILE 60 CO -0.02 0.09 0.82 0.18 0.00 0.00 0.00 174.94 176.01 2k6p n LEU 61 N 4.30 0.55 -3.61 2.97 4.77 0.24 0.10 117.00 126.33 2k6p n LEU 61 Ca 0.08 -0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2k6p n LEU 61 Cb 0.48 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2k6p n LEU 61 CO 0.54 0.10 1.08 -1.58 -1.33 0.00 0.00 177.39 176.19 2k6p s GLN 62 N -3.23 0.20 -0.53 3.23 0.74 -1.22 -4.52 119.66 114.33 2k6p s GLN 62 Ca 0.01 -0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.39 2k6p s GLN 62 Cb 0.15 0.09 0.14 0.00 1.10 0.00 0.00 33.01 34.49 2k6p s GLN 62 CO 0.86 -0.09 0.30 0.42 -0.55 0.00 0.00 175.29 176.23 2k6p s ILE 63 N -2.27 2.20 -0.89 -2.34 -1.09 -1.26 -4.80 121.20 110.74 2k6p s ILE 63 Ca 0.10 -3.25 0.16 0.00 -2.23 0.00 0.00 60.65 55.43 2k6p s ILE 63 Cb -0.01 -2.51 0.14 0.00 -1.58 0.00 0.00 42.46 38.50 2k6p s ILE 63 CO -0.04 -0.88 1.50 -0.81 -1.23 0.00 0.00 174.94 173.48 2k6p n PRO 64 N 3.01 0.04 -3.33 2.79 -0.04 -1.26 -4.90 135.00 131.31 2k6p n PRO 64 Ca 0.10 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.69 2k6p n PRO 64 Cb 0.34 -1.58 0.08 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.56 -2.12 -2.14 0.55 0.00 -1.26 -5.02 120.51 108.96 2k6p n ALA 65 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 2k6p n ALA 65 Cb 0.18 -3.41 0.04 0.00 0.00 0.00 0.00 19.45 16.25 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 -5.96 3.01 -0.12 0.00 1.43 -1.26 -5.03 118.68 110.75 2k6p s LEU 66 Ca 0.14 -0.95 0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2k6p s LEU 66 Cb -0.02 -1.54 -0.14 0.00 0.03 0.00 0.00 46.19 44.52 2k6p s LEU 66 CO 0.71 -1.25 0.02 0.29 0.23 0.00 0.00 176.35 176.36 2k6p n LYS 67 N -2.08 1.86 -3.44 1.70 5.02 -1.26 -4.98 118.16 114.98 2k6p n LYS 67 Ca 0.10 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2k6p n LYS 67 Cb 0.62 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 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 -4.58 -1.20 0.09 4.39 2.47 -1.26 -4.79 114.94 110.06 2k6p s ASN 68 Ca -0.08 1.26 -0.25 0.00 0.42 0.00 0.00 52.86 54.21 2k6p s ASN 68 Cb 0.04 2.20 -0.06 0.00 -1.45 0.00 0.00 41.25 41.98 2k6p s ASN 68 CO 0.48 -0.24 0.78 -0.69 -3.72 0.00 0.00 177.10 173.71 2k6p s VAL 69 N 2.87 4.60 0.76 -5.21 1.01 0.36 -5.02 120.40 119.76 2k6p s VAL 69 Ca 0.05 1.68 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 2k6p s VAL 69 Cb -0.13 -4.13 0.19 0.00 0.00 0.00 0.00 36.38 32.31 2k6p s VAL 69 CO -0.20 0.42 0.44 -0.81 0.00 0.00 0.00 175.10 174.95 2k6p n PRO 70 N 2.40 -3.30 -1.19 2.72 -0.04 -1.26 -4.63 135.00 129.69 2k6p n PRO 70 Ca -0.03 -0.74 -0.26 0.00 -0.04 0.00 0.00 63.50 62.43 2k6p n PRO 70 Cb 0.50 -0.98 0.14 0.00 -0.04 0.00 0.00 33.50 33.11 2k6p n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6p n ARG 71 N -3.78 2.30 0.00 0.54 5.12 -1.26 -4.00 116.66 115.58 2k6p n ARG 71 Ca 0.07 -2.90 0.00 0.00 -1.93 0.00 0.00 57.85 53.09 2k6p n ARG 71 Cb 0.30 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 29.47 2k6p n ARG 71 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k6p n LYS 72 N -0.96 0.00 -1.12 5.56 4.76 -1.26 -4.85 118.16 120.29 2k6p n LYS 72 Ca 0.57 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.80 2k6p n LYS 72 Cb 1.31 -0.23 0.18 0.00 -1.84 0.00 0.00 35.03 34.45 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 -2.20 3.77 -2.10 4.39 8.00 -1.26 -4.45 116.55 122.70 2k6p n ASP 73 Ca 0.00 -3.46 -0.22 0.00 0.71 0.00 0.00 54.79 51.83 2k6p n ASP 73 Cb 0.04 -0.81 0.16 0.00 -0.02 0.00 0.00 41.12 40.49 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 -0.95 2.99 -2.07 -3.53 5.66 -1.26 -4.04 114.28 111.08 2k6p n THR 74 Ca 0.54 -1.75 0.00 0.00 -3.05 0.00 0.00 64.05 59.79 2k6p n THR 74 Cb 1.57 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 2k6p n THR 74 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2k6p n HIS 75 N -0.96 0.00 -0.00 1.09 8.25 -1.26 -4.81 115.22 117.52 2k6p n HIS 75 Ca 0.54 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2k6p n HIS 75 Cb 1.51 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 32.59 2k6p n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2k6p n LEU 76 N 0.07 0.37 -0.01 2.41 4.77 -1.26 -4.66 117.00 118.70 2k6p n LEU 76 Ca 0.00 -0.68 0.07 0.00 -0.03 0.00 0.00 56.01 55.38 2k6p n LEU 76 Cb 0.75 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2k6p n LEU 76 CO -0.01 0.09 -0.64 -1.22 -1.33 0.00 0.00 177.39 174.28 2k6p n TYR 77 N -0.62 0.00 -3.74 -1.77 4.01 -1.26 -4.59 117.16 109.18 2k6p n TYR 77 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 2k6p n TYR 77 Cb 0.00 -0.31 -0.08 0.00 -0.31 0.00 0.00 39.34 38.64 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 -2.95 0.05 -0.13 -0.72 2.07 -1.26 0.81 121.20 119.07 2k6p s ILE 78 Ca -0.05 -0.44 -0.11 0.00 -1.41 0.00 0.00 60.65 58.65 2k6p s ILE 78 Cb 0.09 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 42.07 2k6p s ILE 78 CO 0.59 -0.24 0.33 0.00 -1.91 0.00 0.00 174.94 173.71 2k6p s ALA 79 N -1.32 -0.83 0.10 1.50 0.00 -0.74 -4.69 121.76 115.77 2k6p s ALA 79 Ca -0.13 0.99 -0.34 0.00 0.00 0.00 0.00 51.96 52.47 2k6p s ALA 79 Cb -0.05 -0.58 -0.14 0.00 0.00 0.00 0.00 23.12 22.36 2k6p s ALA 79 CO 0.05 -0.17 1.61 -2.30 0.00 0.00 0.00 175.76 174.95 2k6p n PRO 80 N 3.06 2.01 -3.20 0.00 -0.02 -1.26 -1.16 135.00 134.43 2k6p n PRO 80 Ca -0.14 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 61.83 2k6p n PRO 80 Cb 0.57 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 2k6p n PRO 80 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k6p n LYS 81 N 3.94 1.61 -4.00 -0.52 4.81 -0.21 -4.86 118.16 118.94 2k6p n LYS 81 Ca 0.18 -3.87 -0.08 0.00 -0.87 0.00 0.00 58.31 53.67 2k6p n LYS 81 Cb 0.27 -1.75 -0.10 0.00 0.02 0.00 0.00 35.03 33.47 2k6p n LYS 81 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2k6p s THR 82 N -2.35 0.16 -0.13 3.15 2.01 -1.24 -4.54 115.64 112.70 2k6p s THR 82 Ca 0.40 -1.29 0.08 0.00 0.31 0.00 0.00 61.69 61.19 2k6p s THR 82 Cb 0.23 -0.91 0.21 0.00 0.01 0.00 0.00 72.50 72.04 2k6p s THR 82 CO -0.08 -0.71 1.21 0.29 -0.69 0.00 0.00 174.62 174.64 2k6p n LYS 83 N 0.80 0.58 0.00 4.92 5.02 -1.26 -5.04 118.16 123.17 2k6p n LYS 83 Ca -0.19 -1.31 0.08 0.00 -2.02 0.00 0.00 58.31 54.87 2k6p n LYS 83 Cb 0.58 0.30 0.49 0.00 -0.02 0.00 0.00 35.03 36.38 2k6p n LYS 83 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27