#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5p s ASN 2 N 0.00 6.72 -0.20 3.17 0.01 -1.26 -1.16 114.94 122.22 2k5p s ASN 2 Ca 0.00 0.89 0.01 0.00 -0.71 0.00 0.00 52.86 53.04 2k5p s ASN 2 Cb 0.00 -2.38 0.04 0.00 0.41 0.00 0.00 41.25 39.32 2k5p s ASN 2 CO 0.00 -0.40 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.34 2k5p s LEU 3 N 2.46 2.22 -1.24 0.60 1.43 -0.21 0.49 118.68 124.44 2k5p s LEU 3 Ca 0.31 -0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 52.32 2k5p s LEU 3 Cb -0.16 -1.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 2k5p s LEU 3 CO 0.09 -0.16 1.89 0.41 0.23 0.00 0.00 176.35 178.80 2k5p n THR 4 N 4.71 3.07 -2.34 5.49 -1.04 0.14 -0.11 114.28 124.19 2k5p n THR 4 Ca -0.14 -3.08 -0.43 0.00 -2.04 0.00 0.00 64.05 58.37 2k5p n THR 4 Cb 0.46 -2.33 -0.02 0.00 -1.82 0.00 0.00 70.33 66.62 2k5p n THR 4 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k5p s VAL 5 N 6.14 4.01 -1.96 12.58 1.01 0.10 -3.14 120.40 139.14 2k5p s VAL 5 Ca 0.57 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2k5p s VAL 5 Cb 0.05 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2k5p s VAL 5 CO 0.08 -0.45 0.00 0.59 0.00 0.00 0.00 175.10 175.32 2k5p n ASN 6 N 7.91 -5.27 0.00 3.32 5.03 -1.19 -1.15 115.26 123.91 2k5p n ASN 6 Ca 0.16 0.46 0.00 0.00 0.87 0.00 0.00 54.58 56.07 2k5p n ASN 6 Cb 0.46 -4.40 0.00 0.00 -1.02 0.00 0.00 39.78 34.82 2k5p n ASN 6 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k5p n GLY 7 N -0.64 0.43 3.54 7.41 0.00 -1.19 -5.06 105.19 109.68 2k5p n GLY 7 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2k5p n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5p s LYS 8 N -0.85 3.55 -0.62 1.61 3.01 -0.30 -5.01 119.74 121.13 2k5p s LYS 8 Ca 0.00 -0.54 -0.26 0.00 -1.01 0.00 0.00 55.97 54.16 2k5p s LYS 8 Cb 0.00 -3.80 -0.09 0.00 -1.01 0.00 0.00 37.83 32.93 2k5p s LYS 8 CO 0.00 -0.46 2.37 -2.14 0.51 0.00 0.00 175.35 175.64 2k5p s PRO 9 N 1.83 1.95 -0.55 -1.68 0.02 -1.26 -0.72 135.00 134.58 2k5p s PRO 9 Ca 0.08 1.00 -0.17 0.00 0.02 0.00 0.00 61.00 61.92 2k5p s PRO 9 Cb -0.17 -4.66 0.11 0.00 0.02 0.00 0.00 34.50 29.80 2k5p s PRO 9 CO 0.11 -3.69 0.58 -1.12 -0.33 0.00 0.00 177.00 172.55 2k5p s SER 10 N 11.46 6.19 -1.12 2.53 0.01 0.84 -4.91 113.70 128.70 2k5p s SER 10 Ca 0.94 -1.54 -0.22 0.00 1.31 0.00 0.00 55.95 56.43 2k5p s SER 10 Cb -0.15 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2k5p s SER 10 CO 0.18 -0.95 1.81 -0.89 0.41 0.00 0.00 173.24 173.81 2k5p s THR 11 N 2.12 3.72 -0.37 1.44 2.01 -1.26 -1.04 115.64 122.26 2k5p s THR 11 Ca 0.07 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 2k5p s THR 11 Cb -0.26 -4.67 -0.00 0.00 0.01 0.00 0.00 72.50 67.57 2k5p s THR 11 CO 0.05 -1.39 0.37 0.68 -0.69 0.00 0.00 174.62 173.65 2k5p s VAL 12 N 8.15 5.16 0.53 3.82 -7.23 -0.31 -4.90 120.40 125.61 2k5p s VAL 12 Ca 0.62 -0.13 0.01 0.00 -1.81 0.00 0.00 61.98 60.67 2k5p s VAL 12 Cb -0.01 -3.89 0.01 0.00 0.56 0.00 0.00 36.38 33.05 2k5p s VAL 12 CO 0.05 -0.20 0.09 -0.67 -0.31 0.00 0.00 175.10 174.06 2k5p n ASP 13 N 5.42 3.30 0.00 4.85 2.03 -1.26 -0.05 116.55 130.84 2k5p n ASP 13 Ca -0.09 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.02 2k5p n ASP 13 Cb 0.49 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 2k5p n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5p n GLY 14 N -1.31 0.68 2.85 0.27 0.00 -1.26 -4.89 105.19 101.53 2k5p n GLY 14 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2k5p n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5p s ALA 15 N -2.40 -0.91 -1.19 4.61 0.00 -1.26 -5.09 121.76 115.51 2k5p s ALA 15 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 2k5p s ALA 15 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2k5p s ALA 15 CO 0.00 -1.83 1.79 -1.21 0.00 0.00 0.00 175.76 174.52 2k5p s GLU 16 N 2.28 3.27 0.46 0.00 2.02 -1.26 -4.57 118.70 120.90 2k5p s GLU 16 Ca 0.11 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.66 2k5p s GLU 16 Cb -0.13 -5.37 0.00 0.00 0.10 0.00 0.00 34.13 28.73 2k5p s GLU 16 CO -0.26 -2.98 0.00 -1.13 0.02 0.00 0.00 175.26 170.91 2k5p n SER 17 N 11.13 -7.23 -3.36 -0.19 3.41 -1.26 -5.11 113.62 111.01 2k5p n SER 17 Ca 0.45 1.22 -0.10 0.00 -0.26 0.00 0.00 58.87 60.18 2k5p n SER 17 Cb 0.47 -3.92 -0.01 0.00 -0.26 0.00 0.00 64.21 60.49 2k5p n SER 17 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2k5p s LEU 18 N -3.83 0.20 0.50 1.04 0.05 -0.54 -5.01 118.68 111.09 2k5p s LEU 18 Ca 0.00 -1.06 0.06 0.00 0.05 0.00 0.00 54.13 53.18 2k5p s LEU 18 Cb 0.00 2.38 0.04 0.00 -2.05 0.00 0.00 46.19 46.56 2k5p s LEU 18 CO 0.00 -1.45 0.69 0.54 -0.55 0.00 0.00 176.35 175.58 2k5p s ASN 19 N -3.06 5.36 0.34 1.48 2.20 -1.26 -0.00 114.94 120.00 2k5p s ASN 19 Ca 0.19 -0.41 0.02 0.00 -0.94 0.00 0.00 52.86 51.71 2k5p s ASN 19 Cb -0.04 -0.47 0.60 0.00 -2.00 0.00 0.00 41.25 39.35 2k5p s ASN 19 CO 0.12 -1.04 2.00 0.58 -2.94 0.00 0.00 177.10 175.82 2k5p h VAL 20 N 0.33 1.17 -0.53 3.54 2.07 -1.35 -1.61 116.25 119.87 2k5p h VAL 20 Ca -0.38 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 66.88 2k5p h VAL 20 Cb 1.28 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2k5p h VAL 20 CO 0.45 0.17 0.25 0.74 0.02 0.00 0.00 177.57 179.20 2k5p h THR 21 N 0.90 0.90 -0.65 2.57 2.02 -1.93 -1.46 112.91 115.27 2k5p h THR 21 Ca 0.24 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 2k5p h THR 21 Cb -0.10 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2k5p h THR 21 CO -0.05 0.09 0.19 -0.33 0.37 0.00 0.00 175.52 175.79 2k5p h GLU 22 N 0.47 1.01 -0.33 6.66 4.39 -1.73 -2.67 114.58 122.38 2k5p h GLU 22 Ca 0.25 -0.22 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2k5p h GLU 22 Cb 0.20 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 2k5p h GLU 22 CO -0.20 0.89 -0.16 1.25 -1.16 0.00 0.00 179.01 179.63 2k5p h LEU 23 N 0.94 -0.55 -0.64 1.33 5.85 -0.53 0.25 115.31 121.96 2k5p h LEU 23 Ca 0.21 0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.13 2k5p h LEU 23 Cb 0.31 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2k5p h LEU 23 CO -0.00 -0.20 0.31 -0.07 -0.34 0.00 0.00 178.44 178.14 2k5p h LEU 24 N -0.11 0.41 -1.37 2.25 -0.00 -1.19 -0.91 115.31 114.38 2k5p h LEU 24 Ca 0.17 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 2k5p h LEU 24 Cb 0.37 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2k5p h LEU 24 CO -0.40 0.25 -0.30 -1.28 -0.00 0.00 0.00 178.44 176.71 2k5p h SER 25 N 0.55 0.00 0.04 -0.43 0.87 -0.90 -1.11 113.55 112.57 2k5p h SER 25 Ca 0.31 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.63 2k5p h SER 25 Cb 0.29 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2k5p h SER 25 CO -0.24 0.30 -0.94 0.00 -0.53 0.00 0.00 176.83 175.42 2k5p h ALA 26 N 1.70 0.06 -0.00 6.23 0.00 0.25 -3.24 119.26 124.26 2k5p h ALA 26 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k5p h ALA 26 Cb 0.61 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k5p h ALA 26 CO 0.04 0.56 -0.05 1.28 0.00 0.00 0.00 179.25 181.07 2k5p n LEU 27 N -3.98 0.12 -3.69 0.00 7.99 -0.42 -4.93 117.00 112.09 2k5p n LEU 27 Ca -0.12 0.27 -0.26 0.00 -0.01 0.00 0.00 56.01 55.89 2k5p n LEU 27 Cb 0.84 -0.32 0.06 0.00 -0.11 0.00 0.00 43.42 43.88 2k5p n LEU 27 CO 0.53 0.03 0.18 0.29 -1.51 0.00 0.00 177.39 176.91 2k5p n LYS 28 N -1.30 -6.89 -3.17 3.23 4.76 -0.44 -4.95 118.16 109.41 2k5p n LYS 28 Ca 0.12 0.74 -0.40 0.00 -2.87 0.00 0.00 58.31 55.90 2k5p n LYS 28 Cb 0.28 -5.73 -0.07 0.00 -1.84 0.00 0.00 35.03 27.68 2k5p n LYS 28 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k5p s VAL 29 N -3.30 5.03 0.00 -0.18 1.01 -1.12 -4.95 120.40 116.88 2k5p s VAL 29 Ca 0.61 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2k5p s VAL 29 Cb -0.28 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2k5p s VAL 29 CO 0.75 0.07 1.56 0.00 0.00 0.00 0.00 175.10 177.48 2k5p n ALA 30 N 5.46 3.36 -2.47 5.51 0.00 -1.26 -4.00 120.51 127.11 2k5p n ALA 30 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2k5p n ALA 30 Cb 0.49 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.97 2k5p n ALA 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k5p n GLN 31 N 1.16 1.41 0.19 0.00 6.02 -1.26 -4.87 117.38 120.04 2k5p n GLN 31 Ca 0.00 -3.08 0.17 0.00 -0.01 0.00 0.00 57.00 54.08 2k5p n GLN 31 Cb 0.48 -1.18 0.82 0.00 1.02 0.00 0.00 30.24 31.38 2k5p n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k5p h ALA 32 N 1.84 1.84 0.00 -1.58 0.00 -1.97 0.67 119.26 120.06 2k5p h ALA 32 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2k5p h ALA 32 Cb 1.49 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2k5p h ALA 32 CO 0.22 -0.33 -0.89 1.49 0.00 0.00 0.00 179.25 179.73 2k5p h GLU 33 N 0.00 0.00 -0.01 0.00 4.57 -1.95 -3.36 114.58 113.83 2k5p h GLU 33 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2k5p h GLU 33 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2k5p h GLU 33 CO -0.00 0.34 -0.28 0.66 -1.18 0.00 0.00 179.01 178.55 2k5p n TYR 34 N -3.03 0.00 -1.98 0.92 4.01 0.60 -4.93 117.16 112.75 2k5p n TYR 34 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 2k5p n TYR 34 Cb 0.75 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.72 2k5p n TYR 34 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k5p s VAL 35 N -1.69 3.39 -0.90 -0.72 0.11 0.20 -4.90 120.40 115.89 2k5p s VAL 35 Ca 0.12 -0.36 -0.23 0.00 -2.93 0.00 0.00 61.98 58.57 2k5p s VAL 35 Cb 0.11 -3.92 0.06 0.00 -1.53 0.00 0.00 36.38 31.11 2k5p s VAL 35 CO 0.34 -0.81 1.31 -0.89 -3.33 0.00 0.00 175.10 171.73 2k5p s THR 36 N 10.95 4.03 -0.05 5.04 2.01 -1.26 -5.00 115.64 131.35 2k5p s THR 36 Ca 0.73 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.20 2k5p s THR 36 Cb -0.07 -4.95 -0.03 0.00 0.01 0.00 0.00 72.50 67.46 2k5p s THR 36 CO 0.02 -1.81 -0.07 0.68 -0.69 0.00 0.00 174.62 172.75 2k5p s VAL 37 N 4.74 3.65 -0.13 3.82 -7.23 -1.26 -4.24 120.40 119.75 2k5p s VAL 37 Ca 0.39 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2k5p s VAL 37 Cb -0.04 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.41 2k5p s VAL 37 CO -0.02 0.54 -0.11 -1.83 -0.31 0.00 0.00 175.10 173.37 2k5p s GLU 38 N -0.97 1.94 -0.34 4.82 -1.05 -1.16 -3.05 118.70 118.89 2k5p s GLU 38 Ca 0.14 -0.43 -0.27 0.00 -0.15 0.00 0.00 54.97 54.26 2k5p s GLU 38 Cb -0.11 -1.88 0.01 0.00 -0.44 0.00 0.00 34.13 31.71 2k5p s GLU 38 CO 0.03 -0.26 0.99 -0.51 0.95 0.00 0.00 175.26 176.47 2k5p s LEU 39 N 1.59 3.96 -1.87 1.83 2.01 0.64 -1.41 118.68 125.43 2k5p s LEU 39 Ca 0.05 0.84 0.00 0.00 0.01 0.00 0.00 54.13 55.03 2k5p s LEU 39 Cb -0.13 -3.40 0.00 0.00 0.01 0.00 0.00 46.19 42.68 2k5p s LEU 39 CO -0.10 -0.85 0.00 0.59 1.01 0.00 0.00 176.35 177.01 2k5p n ASN 40 N 6.77 -5.76 0.00 2.29 4.13 0.00 -1.11 115.26 121.59 2k5p n ASN 40 Ca 0.09 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.47 2k5p n ASN 40 Cb 0.48 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 2k5p n ASN 40 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k5p n GLY 41 N -0.88 0.75 3.23 7.41 0.00 -1.25 -5.06 105.19 109.40 2k5p n GLY 41 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2k5p n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5p s GLU 42 N -0.58 3.08 0.27 1.61 2.12 -0.27 -5.03 118.70 119.90 2k5p s GLU 42 Ca 0.00 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 2k5p s GLU 42 Cb 0.00 -2.94 -0.09 0.00 0.26 0.00 0.00 34.13 31.36 2k5p s GLU 42 CO 0.00 -0.29 1.10 0.54 -0.54 0.00 0.00 175.26 176.07 2k5p s VAL 43 N 1.38 3.49 0.13 3.70 0.11 -1.26 -0.26 120.40 127.69 2k5p s VAL 43 Ca 0.03 1.49 0.02 0.00 -2.93 0.00 0.00 61.98 60.60 2k5p s VAL 43 Cb -0.15 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 2k5p s VAL 43 CO -0.05 0.35 0.23 -0.76 -3.33 0.00 0.00 175.10 171.54 2k5p s LEU 44 N -1.38 4.22 0.60 2.54 2.01 -1.17 -4.94 118.68 120.55 2k5p s LEU 44 Ca 0.45 0.13 -0.14 0.00 0.01 0.00 0.00 54.13 54.58 2k5p s LEU 44 Cb -0.32 -2.81 -0.04 0.00 0.01 0.00 0.00 46.19 43.03 2k5p s LEU 44 CO 0.41 0.08 1.03 -1.61 1.01 0.00 0.00 176.35 177.27 2k5p s GLU 45 N -3.02 3.50 0.44 1.70 8.01 -1.26 -4.91 118.70 123.16 2k5p s GLU 45 Ca 0.34 0.95 0.09 0.00 0.01 0.00 0.00 54.97 56.36 2k5p s GLU 45 Cb -0.11 -2.07 0.95 0.00 -4.31 0.00 0.00 34.13 28.59 2k5p s GLU 45 CO 0.27 -0.64 2.08 0.00 0.01 0.00 0.00 175.26 176.97 2k5p h ARG 46 N 0.12 0.40 -0.08 1.61 3.08 -1.99 0.18 114.38 117.70 2k5p h ARG 46 Ca -0.45 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.44 2k5p h ARG 46 Cb 1.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2k5p h ARG 46 CO 0.60 0.27 -0.54 1.49 -1.07 0.00 0.00 179.97 180.72 2k5p h GLU 47 N 0.41 0.24 0.00 0.04 4.81 -2.03 -3.10 114.58 114.95 2k5p h GLU 47 Ca 0.11 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k5p h GLU 47 Cb -0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2k5p h GLU 47 CO -0.02 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 178.97 2k5p n ALA 48 N -2.47 1.79 -0.18 2.92 0.00 0.55 -2.93 120.51 120.18 2k5p n ALA 48 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2k5p n ALA 48 Cb 0.57 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.70 2k5p n ALA 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2k5p h PHE 49 N 0.00 0.48 0.00 0.00 -1.00 -1.22 0.34 116.94 115.54 2k5p h PHE 49 Ca 0.00 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 2k5p h PHE 49 Cb 0.41 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 2k5p h PHE 49 CO 0.00 0.22 -0.37 -0.44 -1.61 0.00 0.00 178.31 176.11 2k5p h ASP 50 N 0.50 0.00 -0.58 2.17 5.19 -1.75 -1.56 116.42 120.39 2k5p h ASP 50 Ca 0.24 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 2k5p h ASP 50 Cb 0.17 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 2k5p h ASP 50 CO -0.18 0.13 0.11 0.00 -3.12 0.00 0.00 179.24 176.18 2k5p n ALA 51 N -2.16 4.03 -3.77 3.45 0.00 -0.71 -4.81 120.51 116.54 2k5p n ALA 51 Ca 0.02 -1.87 -0.26 0.00 0.00 0.00 0.00 53.44 51.33 2k5p n ALA 51 Cb 0.59 -1.17 -0.17 0.00 0.00 0.00 0.00 19.45 18.71 2k5p n ALA 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k5p s THR 52 N -2.64 0.59 -0.09 0.00 2.01 0.03 -4.93 115.64 110.61 2k5p s THR 52 Ca 0.49 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 2k5p s THR 52 Cb 0.38 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2k5p s THR 52 CO 0.13 -0.02 0.93 0.42 -0.69 0.00 0.00 174.62 175.39 2k5p s THR 53 N 1.85 4.86 -0.30 -0.82 -4.23 -1.26 -3.66 115.64 112.08 2k5p s THR 53 Ca 0.01 1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 62.35 2k5p s THR 53 Cb -0.15 -4.25 0.02 0.00 1.34 0.00 0.00 72.50 69.46 2k5p s THR 53 CO -0.07 0.08 0.07 -0.69 -0.54 0.00 0.00 174.62 173.47 2k5p s VAL 54 N 1.63 3.78 0.00 2.29 1.01 1.00 -5.01 120.40 125.10 2k5p s VAL 54 Ca 0.46 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2k5p s VAL 54 Cb -0.19 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2k5p s VAL 54 CO 0.19 0.03 0.00 2.29 0.00 0.00 0.00 175.10 177.61 2k5p n LYS 55 N 4.83 0.00 -1.96 2.72 0.00 -1.26 -1.46 118.16 121.02 2k5p n LYS 55 Ca -0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.88 2k5p n LYS 55 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.45 2k5p n LYS 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k5p s ASP 56 N 0.91 4.99 0.00 -5.58 -1.08 -1.26 -2.97 116.67 111.68 2k5p s ASP 56 Ca 0.00 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 2k5p s ASP 56 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2k5p s ASP 56 CO 0.00 -2.78 0.00 0.61 0.52 0.00 0.00 175.17 173.52 2k5p n GLY 57 N 6.48 -0.18 3.73 2.66 0.00 0.18 -4.78 105.19 113.28 2k5p n GLY 57 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 2k5p n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5p s ASP 58 N -0.60 6.56 -1.39 1.61 1.11 -1.16 -4.86 116.67 117.94 2k5p s ASP 58 Ca 0.00 0.66 -0.10 0.00 0.18 0.00 0.00 52.55 53.29 2k5p s ASP 58 Cb 0.00 -2.23 0.09 0.00 1.07 0.00 0.00 42.92 41.84 2k5p s ASP 58 CO 0.00 0.05 2.25 0.00 1.18 0.00 0.00 175.17 178.66 2k5p n ALA 59 N 3.60 6.10 -2.23 5.23 0.00 -1.26 -0.69 120.51 131.26 2k5p n ALA 59 Ca -0.10 -4.04 -0.39 0.00 0.00 0.00 0.00 53.44 48.91 2k5p n ALA 59 Cb 0.52 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 2k5p n ALA 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5p s VAL 60 N 0.96 3.50 -1.25 0.00 0.11 -1.19 -0.82 120.40 121.71 2k5p s VAL 60 Ca 0.49 0.26 -0.19 0.00 -2.93 0.00 0.00 61.98 59.61 2k5p s VAL 60 Cb 0.14 -4.32 0.01 0.00 -1.53 0.00 0.00 36.38 30.68 2k5p s VAL 60 CO -0.05 -1.28 1.85 -0.62 -3.33 0.00 0.00 175.10 171.68 2k5p n GLU 61 N 9.25 2.61 -2.24 1.54 1.02 -0.50 -3.15 120.64 129.17 2k5p n GLU 61 Ca 0.14 -2.91 -0.37 0.00 -0.02 0.00 0.00 57.16 54.01 2k5p n GLU 61 Cb 0.51 -3.52 -0.03 0.00 -0.02 0.00 0.00 31.44 28.37 2k5p n GLU 61 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k5p s PHE 62 N 6.19 1.97 0.25 -0.32 2.19 -1.26 -3.01 117.98 123.99 2k5p s PHE 62 Ca 0.58 0.31 -0.30 0.00 0.33 0.00 0.00 56.93 57.86 2k5p s PHE 62 Cb 0.04 -4.30 -0.09 0.00 -1.31 0.00 0.00 43.02 37.36 2k5p s PHE 62 CO 0.08 -2.08 1.19 -0.51 1.83 0.00 0.00 175.22 175.74 2k5p s LEU 63 N 7.89 4.48 0.00 6.12 1.43 -1.26 -4.82 118.68 132.52 2k5p s LEU 63 Ca 0.57 2.35 0.29 0.00 -1.03 0.00 0.00 54.13 56.30 2k5p s LEU 63 Cb -0.08 -3.62 1.71 0.00 0.03 0.00 0.00 46.19 44.23 2k5p s LEU 63 CO 0.10 -0.33 2.09 -1.22 0.23 0.00 0.00 176.35 177.22 2k5p n TYR 64 N 1.69 0.00 -1.70 0.29 4.01 -1.26 -4.89 117.16 115.30 2k5p n TYR 64 Ca 0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.58 2k5p n TYR 64 Cb 0.44 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.41 2k5p n TYR 64 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2k5p n PHE 65 N -0.96 -0.19 -1.70 -0.72 3.72 -1.26 -2.07 117.46 114.28 2k5p n PHE 65 Ca 0.22 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.45 2k5p n PHE 65 Cb 0.10 -3.14 -0.05 0.00 -0.94 0.00 0.00 39.48 35.45 2k5p n PHE 65 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2k5p n MET 66 N -2.53 -1.51 -0.00 -1.08 2.81 -1.26 -4.79 117.12 108.76 2k5p n MET 66 Ca -0.18 0.91 0.06 0.00 -1.81 0.00 0.00 57.70 56.68 2k5p n MET 66 Cb 0.60 -5.29 -0.08 0.00 -0.71 0.00 0.00 33.22 27.73 2k5p n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5p n GLY 67 N -0.45 -0.33 3.72 3.03 0.00 -0.88 -4.98 105.19 105.31 2k5p n GLY 67 Ca -0.17 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2k5p n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5p s GLY 68 N -2.62 2.87 -1.24 -0.02 0.00 -1.21 -4.96 107.32 100.15 2k5p s GLY 68 Ca 0.02 0.63 -0.18 0.00 0.00 0.00 0.00 44.72 45.18 2k5p s GLY 68 CO 0.53 1.65 1.97 0.61 0.00 0.00 0.00 173.10 177.86 2k5p n GLY 69 N 2.61 2.94 3.71 0.20 0.00 -1.26 -4.95 105.19 108.45 2k5p n GLY 69 Ca 0.05 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2k5p n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5p s LYS 70 N 4.39 4.53 -0.03 1.61 0.00 -1.26 -5.06 119.74 123.93 2k5p s LYS 70 Ca 0.55 1.31 0.05 0.00 0.00 0.00 0.00 55.97 57.88 2k5p s LYS 70 Cb 0.09 -3.46 -0.01 0.00 0.00 0.00 0.00 37.83 34.44 2k5p s LYS 70 CO 0.04 -0.03 -0.19 -0.51 0.00 0.00 0.00 175.35 174.66 2k5p s LEU 71 N 0.98 2.00 0.16 2.77 1.43 -1.26 -5.11 118.68 119.65 2k5p s LEU 71 Ca 0.49 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.92 2k5p s LEU 71 Cb -0.20 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 44.91 2k5p s LEU 71 CO 0.26 0.21 1.54 -1.61 0.23 0.00 0.00 176.35 176.99 2k5p s GLU 72 N -0.30 4.23 0.49 1.70 8.01 -1.26 -4.90 118.70 126.66 2k5p s GLU 72 Ca 0.04 2.32 0.26 0.00 0.01 0.00 0.00 54.97 57.59 2k5p s GLU 72 Cb -0.09 -3.18 1.23 0.00 -4.31 0.00 0.00 34.13 27.79 2k5p s GLU 72 CO 0.00 -0.58 1.97 1.25 0.01 0.00 0.00 175.26 177.91 2k5p h HIS 73 N 6.83 0.00 -1.05 1.61 2.76 -2.05 -3.46 115.15 119.79 2k5p h HIS 73 Ca -0.42 0.00 -0.40 0.00 -2.20 0.00 0.00 60.37 57.34 2k5p h HIS 73 Cb 1.20 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 30.01 2k5p h HIS 73 CO 0.65 0.17 -0.37 0.72 -1.30 0.00 0.00 177.93 177.81 2k5p n HIS 74 N -3.53 -0.06 -2.11 5.26 8.25 -1.26 -4.92 115.22 116.86 2k5p n HIS 74 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2k5p n HIS 74 Cb 0.32 -3.35 -0.03 0.00 1.12 0.00 0.00 29.99 28.06 2k5p n HIS 74 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5p s HIS 75 N -2.67 2.14 0.17 4.41 5.65 -1.26 -4.94 115.29 118.79 2k5p s HIS 75 Ca 0.00 0.46 -0.32 0.00 0.25 0.00 0.00 55.06 55.46 2k5p s HIS 75 Cb 0.00 -3.89 -0.11 0.00 -1.18 0.00 0.00 32.58 27.41 2k5p s HIS 75 CO 0.00 -3.15 1.65 -1.01 -0.65 0.00 0.00 174.74 171.58 2k5p s HIS 76 N 4.52 2.88 -0.16 3.88 3.76 -1.26 -4.99 115.29 123.92 2k5p s HIS 76 Ca 0.70 0.45 -0.17 0.00 -0.15 0.00 0.00 55.06 55.89 2k5p s HIS 76 Cb -0.28 -4.03 0.05 0.00 1.11 0.00 0.00 32.58 29.43 2k5p s HIS 76 CO 0.27 -3.89 0.48 -1.58 -0.85 0.00 0.00 174.74 169.16 2k5p s HIS 77 N 1.40 -0.50 -2.00 1.40 5.04 -1.26 -5.30 115.29 114.06 2k5p s HIS 77 Ca 0.73 1.19 0.28 0.00 -1.54 0.00 0.00 55.06 55.71 2k5p s HIS 77 Cb -0.46 0.18 1.65 0.00 0.04 0.00 0.00 32.58 34.00 2k5p s HIS 77 CO 0.32 -0.28 1.99 0.72 -2.34 0.00 0.00 174.74 175.15