#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 6.26 -0.18 3.17 -0.87 -1.26 -0.73 114.94 121.33 2k5p s ASN 2 Ca 0.00 0.30 -0.01 0.00 -1.57 0.00 0.00 52.86 51.58 2k5p s ASN 2 Cb 0.00 -2.22 -0.01 0.00 -0.02 0.00 0.00 41.25 39.01 2k5p s ASN 2 CO 0.00 -0.19 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.47 2k5p s LEU 3 N 2.09 2.69 -1.28 0.60 2.01 0.69 0.04 118.68 125.51 2k5p s LEU 3 Ca 0.15 -0.41 -0.19 0.00 0.01 0.00 0.00 54.13 53.70 2k5p s LEU 3 Cb -0.16 -1.64 0.04 0.00 0.01 0.00 0.00 46.19 44.44 2k5p s LEU 3 CO 0.10 0.06 1.80 0.41 1.01 0.00 0.00 176.35 179.73 2k5p n THR 4 N 4.25 3.54 -2.19 5.49 -1.04 0.11 -0.03 114.28 124.42 2k5p n THR 4 Ca -0.19 -3.66 -0.42 0.00 -2.04 0.00 0.00 64.05 57.74 2k5p n THR 4 Cb 0.51 -2.33 -0.03 0.00 -1.82 0.00 0.00 70.33 66.67 2k5p n THR 4 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2k5p s VAL 5 N 5.42 3.78 -1.78 12.58 -7.23 0.55 -2.82 120.40 130.90 2k5p s VAL 5 Ca 0.56 1.05 0.00 0.00 -1.81 0.00 0.00 61.98 61.78 2k5p s VAL 5 Cb 0.04 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.30 2k5p s VAL 5 CO 0.08 -0.06 0.00 0.59 -0.31 0.00 0.00 175.10 175.41 2k5p n ASN 6 N 6.30 -4.84 0.00 4.85 4.13 0.25 -0.33 115.26 125.62 2k5p n ASN 6 Ca 0.15 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.73 2k5p n ASN 6 Cb 0.43 -4.25 0.00 0.00 -1.54 0.00 0.00 39.78 34.42 2k5p n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k5p n GLY 7 N -0.51 0.72 3.22 7.41 0.00 -1.13 -5.04 105.19 109.86 2k5p n GLY 7 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.68 3.17 0.02 1.61 3.01 0.56 -5.06 119.74 122.37 2k5p s LYS 8 Ca 0.00 -0.75 -0.35 0.00 -1.01 0.00 0.00 55.97 53.86 2k5p s LYS 8 Cb 0.00 -2.69 -0.14 0.00 -1.01 0.00 0.00 37.83 33.99 2k5p s LYS 8 CO 0.00 -0.12 1.66 -2.30 0.51 0.00 0.00 175.35 175.10 2k5p n PRO 9 N 4.45 1.92 -4.34 -1.68 -0.02 -1.26 -0.33 135.00 133.74 2k5p n PRO 9 Ca -0.20 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 61.80 2k5p n PRO 9 Cb 0.51 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 2k5p n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k5p s SER 10 N 2.19 1.48 -0.25 2.55 0.15 0.96 -4.84 113.70 115.94 2k5p s SER 10 Ca 0.86 -1.51 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 2k5p s SER 10 Cb -0.76 0.33 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 2k5p s SER 10 CO 0.47 -0.85 0.60 0.28 1.20 0.00 0.00 173.24 174.94 2k5p s THR 11 N -3.64 -0.05 -0.31 6.45 -1.32 -1.26 -0.23 115.64 115.28 2k5p s THR 11 Ca 0.36 0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.86 2k5p s THR 11 Cb 0.06 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 70.23 2k5p s THR 11 CO 0.16 0.01 0.02 0.68 -2.21 0.00 0.00 174.62 173.28 2k5p s VAL 12 N 1.63 2.92 -0.10 5.08 -7.23 0.09 -4.97 120.40 117.82 2k5p s VAL 12 Ca -0.10 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 2k5p s VAL 12 Cb -0.06 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2k5p s VAL 12 CO -0.18 -0.20 1.21 -0.62 -0.31 0.00 0.00 175.10 175.01 2k5p s ASP 13 N 1.29 7.02 0.00 4.85 2.15 -1.26 -0.01 116.67 130.71 2k5p s ASP 13 Ca -0.03 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.71 2k5p s ASP 13 Cb -0.20 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 2k5p s ASP 13 CO -0.02 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 2k5p n GLY 14 N 3.44 1.43 3.70 2.66 0.00 -1.26 -4.91 105.19 110.25 2k5p n GLY 14 Ca 0.12 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.75 3.44 -0.19 4.61 0.00 -1.23 -4.90 121.76 122.74 2k5p s ALA 15 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 2k5p s ALA 15 Cb 0.00 -3.49 0.07 0.00 0.00 0.00 0.00 23.12 19.70 2k5p s ALA 15 CO 0.00 -0.61 0.07 -2.00 0.00 0.00 0.00 175.76 173.23 2k5p s GLU 16 N 1.65 0.30 -1.74 0.00 2.12 -1.26 -1.94 118.70 117.83 2k5p s GLU 16 Ca 0.58 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.63 2k5p s GLU 16 Cb -0.28 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2k5p s GLU 16 CO 0.26 -0.70 0.00 0.43 -0.54 0.00 0.00 175.26 174.71 2k5p n SER 17 N 5.18 -5.25 -4.85 -1.70 7.64 -1.20 -4.98 113.62 108.46 2k5p n SER 17 Ca -0.07 0.21 -0.31 0.00 1.01 0.00 0.00 58.87 59.71 2k5p n SER 17 Cb 0.47 -4.33 0.02 0.00 -1.01 0.00 0.00 64.21 59.36 2k5p n SER 17 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2k5p s LEU 18 N -4.70 3.24 0.48 -3.43 0.05 -1.19 -4.57 118.68 108.56 2k5p s LEU 18 Ca 0.00 1.49 -0.11 0.00 0.05 0.00 0.00 54.13 55.56 2k5p s LEU 18 Cb 0.00 -4.48 -0.06 0.00 -2.05 0.00 0.00 46.19 39.60 2k5p s LEU 18 CO 0.00 -0.99 0.86 0.54 -0.55 0.00 0.00 176.35 176.21 2k5p s ASN 19 N -3.98 6.45 0.37 1.48 4.22 -1.26 -0.44 114.94 121.78 2k5p s ASN 19 Ca 0.56 1.24 0.13 0.00 -2.14 0.00 0.00 52.86 52.65 2k5p s ASN 19 Cb -0.12 -2.37 0.94 0.00 1.28 0.00 0.00 41.25 40.98 2k5p s ASN 19 CO 0.52 -0.55 1.82 0.58 -2.04 0.00 0.00 177.10 177.44 2k5p h VAL 20 N 0.68 0.70 -0.77 3.54 2.07 0.61 -0.23 116.25 122.86 2k5p h VAL 20 Ca -0.47 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 66.99 2k5p h VAL 20 Cb 1.19 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2k5p h VAL 20 CO 0.63 0.10 0.36 0.74 0.02 0.00 0.00 177.57 179.42 2k5p h THR 21 N 0.56 0.75 0.05 2.57 2.02 -1.66 0.19 112.91 117.40 2k5p h THR 21 Ca 0.51 -0.19 -0.25 0.00 0.77 0.00 0.00 66.41 67.25 2k5p h THR 21 Cb 1.05 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2k5p h THR 21 CO -0.25 0.10 -1.26 -0.33 0.37 0.00 0.00 175.52 174.15 2k5p h GLU 22 N 0.56 0.10 -0.60 6.66 5.08 -1.37 -2.30 114.58 122.70 2k5p h GLU 22 Ca 0.40 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2k5p h GLU 22 Cb 0.53 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2k5p h GLU 22 CO -0.34 0.98 0.32 1.25 -1.00 0.00 0.00 179.01 180.22 2k5p h LEU 23 N 0.03 0.46 -0.52 1.33 6.46 -0.74 0.33 115.31 122.65 2k5p h LEU 23 Ca -0.12 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2k5p h LEU 23 Cb 1.89 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.74 2k5p h LEU 23 CO 0.14 0.30 0.31 0.25 -0.62 0.00 0.00 178.44 178.83 2k5p h LEU 24 N 0.59 0.63 -1.79 2.25 5.85 -0.65 -2.26 115.31 119.93 2k5p h LEU 24 Ca 0.27 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2k5p h LEU 24 Cb 0.17 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2k5p h LEU 24 CO -0.18 0.51 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.00 2k5p h SER 25 N 0.70 0.00 -0.51 1.25 0.87 -0.78 -2.66 113.55 112.42 2k5p h SER 25 Ca 0.19 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2k5p h SER 25 Cb -0.01 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2k5p h SER 25 CO -0.03 0.15 0.20 0.00 -0.53 0.00 0.00 176.83 176.61 2k5p h ALA 26 N 1.85 1.30 -0.00 6.23 0.00 0.26 0.12 119.26 129.01 2k5p h ALA 26 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k5p h ALA 26 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5p h ALA 26 CO 0.02 0.51 -0.01 1.28 0.00 0.00 0.00 179.25 181.05 2k5p n LEU 27 N -4.31 0.14 -1.65 0.00 4.32 -1.01 -4.91 117.00 109.58 2k5p n LEU 27 Ca 0.04 0.07 -0.17 0.00 -0.02 0.00 0.00 56.01 55.94 2k5p n LEU 27 Cb 0.18 -0.12 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 2k5p n LEU 27 CO 0.39 0.02 -0.19 1.17 -1.22 0.00 0.00 177.39 177.56 2k5p n LYS 28 N -1.03 -1.27 -1.70 3.23 4.81 0.03 -4.78 118.16 117.45 2k5p n LYS 28 Ca 0.19 0.93 -0.44 0.00 -0.87 0.00 0.00 58.31 58.13 2k5p n LYS 28 Cb 0.19 -5.27 -0.03 0.00 0.02 0.00 0.00 35.03 29.93 2k5p n LYS 28 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2k5p n VAL 29 N -3.37 0.12 -0.02 3.15 0.31 -1.17 -4.90 118.33 112.44 2k5p n VAL 29 Ca -0.19 -0.03 -0.04 0.00 -0.01 0.00 0.00 64.34 64.07 2k5p n VAL 29 Cb 0.61 -1.75 0.17 0.00 -0.91 0.00 0.00 33.84 31.96 2k5p n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k5p h ALA 30 N 6.11 1.06 -1.80 3.52 0.00 -1.92 -3.45 119.26 122.78 2k5p h ALA 30 Ca -0.44 -0.34 -0.44 0.00 0.00 0.00 0.00 54.91 53.69 2k5p h ALA 30 Cb 1.23 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.91 2k5p h ALA 30 CO 0.90 0.57 -0.16 -0.65 0.00 0.00 0.00 179.25 179.92 2k5p s GLN 31 N -4.60 2.85 0.28 0.00 -1.52 -1.26 -5.04 119.66 110.38 2k5p s GLN 31 Ca -0.08 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.48 2k5p s GLN 31 Cb 0.14 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.30 2k5p s GLN 31 CO 0.80 -0.35 0.00 0.00 -0.25 0.00 0.00 175.29 175.49 2k5p n ALA 32 N -2.03 2.09 -0.03 6.09 0.00 -1.26 -4.82 120.51 120.55 2k5p n ALA 32 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.65 2k5p n ALA 32 Cb 0.59 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.64 2k5p n ALA 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k5p h GLU 33 N 0.00 0.18 0.00 0.00 9.09 -1.96 -1.21 114.58 120.67 2k5p h GLU 33 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2k5p h GLU 33 Cb 0.00 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 2k5p h GLU 33 CO 0.00 0.12 -0.28 1.88 0.05 0.00 0.00 179.01 180.78 2k5p h TYR 34 N 0.18 0.00 -1.06 2.06 0.05 -1.95 -3.43 116.97 112.83 2k5p h TYR 34 Ca 0.26 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.35 2k5p h TYR 34 Cb 0.77 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.42 2k5p h TYR 34 CO -0.00 0.00 2.08 0.28 -1.05 0.00 0.00 178.16 179.47 2k5p n VAL 35 N -2.45 4.00 -2.12 -2.88 0.31 -0.46 -4.91 118.33 109.82 2k5p n VAL 35 Ca 0.04 -4.20 -0.29 0.00 -0.01 0.00 0.00 64.34 59.88 2k5p n VAL 35 Cb 0.47 -2.37 -0.05 0.00 -0.91 0.00 0.00 33.84 30.98 2k5p n VAL 35 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2k5p s THR 36 N 3.83 3.56 0.27 2.52 2.01 -1.26 -4.96 115.64 121.61 2k5p s THR 36 Ca 0.52 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 2k5p s THR 36 Cb 0.03 -4.43 -0.08 0.00 0.01 0.00 0.00 72.50 68.02 2k5p s THR 36 CO 0.07 -1.08 0.71 0.68 -0.69 0.00 0.00 174.62 174.30 2k5p s VAL 37 N 9.99 4.68 -0.04 3.82 -7.23 -1.26 -4.68 120.40 125.67 2k5p s VAL 37 Ca 0.67 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 2k5p s VAL 37 Cb -0.03 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.24 2k5p s VAL 37 CO 0.07 -0.03 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.99 2k5p s GLU 38 N -2.59 0.50 -0.15 4.82 -1.05 -1.12 -2.40 118.70 116.70 2k5p s GLU 38 Ca 0.49 0.05 -0.09 0.00 -0.15 0.00 0.00 54.97 55.27 2k5p s GLU 38 Cb -0.13 -0.69 -0.05 0.00 -0.44 0.00 0.00 34.13 32.83 2k5p s GLU 38 CO 0.19 -0.17 0.16 -0.48 0.95 0.00 0.00 175.26 175.91 2k5p s LEU 39 N 1.25 4.30 -1.92 1.83 0.05 -0.85 -0.43 118.68 122.92 2k5p s LEU 39 Ca -0.06 0.39 0.00 0.00 0.05 0.00 0.00 54.13 54.50 2k5p s LEU 39 Cb -0.13 -2.12 0.00 0.00 -2.05 0.00 0.00 46.19 41.89 2k5p s LEU 39 CO -0.02 0.28 0.00 0.59 -0.55 0.00 0.00 176.35 176.65 2k5p n ASN 40 N 2.76 -5.50 0.00 1.48 5.03 0.60 -0.57 115.26 119.06 2k5p n ASN 40 Ca -0.17 0.45 0.00 0.00 0.87 0.00 0.00 54.58 55.72 2k5p n ASN 40 Cb 0.53 -4.59 0.00 0.00 -1.02 0.00 0.00 39.78 34.70 2k5p n ASN 40 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k5p n GLY 41 N -0.33 0.55 2.97 7.41 0.00 -1.26 -5.06 105.19 109.47 2k5p n GLY 41 Ca -0.18 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.53 1.85 0.41 1.61 2.12 0.26 -5.10 118.70 118.32 2k5p s GLU 42 Ca 0.00 -0.92 -0.25 0.00 0.36 0.00 0.00 54.97 54.16 2k5p s GLU 42 Cb 0.00 -2.50 -0.08 0.00 0.26 0.00 0.00 34.13 31.81 2k5p s GLU 42 CO 0.00 -0.51 1.16 0.54 -0.54 0.00 0.00 175.26 175.92 2k5p s VAL 43 N 1.39 3.17 0.36 3.70 0.11 -1.26 -2.00 120.40 125.87 2k5p s VAL 43 Ca -0.04 0.97 0.06 0.00 -2.93 0.00 0.00 61.98 60.05 2k5p s VAL 43 Cb -0.17 -3.53 -0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2k5p s VAL 43 CO -0.07 0.07 0.51 -0.76 -3.33 0.00 0.00 175.10 171.52 2k5p s LEU 44 N -2.56 3.88 0.41 2.54 2.01 -1.01 -4.97 118.68 118.98 2k5p s LEU 44 Ca 0.58 -0.20 -0.10 0.00 0.01 0.00 0.00 54.13 54.41 2k5p s LEU 44 Cb -0.30 -2.76 -0.06 0.00 0.01 0.00 0.00 46.19 43.08 2k5p s LEU 44 CO 0.38 -0.53 0.77 -0.70 1.01 0.00 0.00 176.35 177.27 2k5p s GLU 45 N -4.24 3.76 0.63 1.70 2.56 -1.26 -4.85 118.70 116.99 2k5p s GLU 45 Ca 0.47 0.44 0.28 0.00 0.00 0.00 0.00 54.97 56.17 2k5p s GLU 45 Cb -0.10 -2.39 1.51 0.00 2.00 0.00 0.00 34.13 35.15 2k5p s GLU 45 CO 0.32 -0.05 1.88 0.07 -0.56 0.00 0.00 175.26 176.93 2k5p h ARG 46 N 1.18 0.00 0.00 4.30 0.11 -1.97 -0.92 114.38 117.08 2k5p h ARG 46 Ca -0.47 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 2k5p h ARG 46 Cb 1.19 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.15 2k5p h ARG 46 CO 0.64 0.00 -0.58 -0.85 0.10 0.00 0.00 179.97 179.28 2k5p n GLU 47 N -3.26 0.83 -0.19 0.08 0.28 -1.26 -4.69 120.64 112.43 2k5p n GLU 47 Ca 0.03 -2.46 0.11 0.00 -0.16 0.00 0.00 57.16 54.68 2k5p n GLU 47 Cb 0.53 -0.95 0.21 0.00 1.43 0.00 0.00 31.44 32.66 2k5p n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k5p n ALA 48 N -0.53 2.41 0.14 -1.84 0.00 -0.35 -4.42 120.51 115.91 2k5p n ALA 48 Ca 0.12 -1.01 0.01 0.00 0.00 0.00 0.00 53.44 52.56 2k5p n ALA 48 Cb 0.82 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 4.25 0.00 -0.14 0.00 0.04 -1.84 -1.05 116.94 118.20 2k5p h PHE 49 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2k5p h PHE 49 Cb 0.95 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.11 2k5p h PHE 49 CO 0.25 0.59 -0.77 -0.44 -0.60 0.00 0.00 178.31 177.34 2k5p h ASP 50 N 0.00 0.84 -0.14 2.17 5.19 -1.92 0.58 116.42 123.14 2k5p h ASP 50 Ca -0.01 -0.55 -0.14 0.00 -0.62 0.00 0.00 57.03 55.71 2k5p h ASP 50 Cb 1.22 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2k5p h ASP 50 CO 0.08 1.34 -0.47 0.00 -3.12 0.00 0.00 179.24 177.06 2k5p h ALA 51 N 0.64 0.25 -1.69 3.45 0.00 -1.80 -3.43 119.26 116.68 2k5p h ALA 51 Ca -0.05 -0.49 -0.56 0.00 0.00 0.00 0.00 54.91 53.82 2k5p h ALA 51 Cb 1.39 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2k5p h ALA 51 CO 0.15 0.41 1.10 0.99 0.00 0.00 0.00 179.25 181.90 2k5p s THR 52 N -3.83 3.83 -0.13 0.00 2.01 -0.41 -5.00 115.64 112.12 2k5p s THR 52 Ca -0.12 0.78 -0.17 0.00 0.31 0.00 0.00 61.69 62.49 2k5p s THR 52 Cb 0.06 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2k5p s THR 52 CO 0.83 -0.94 0.43 0.42 -0.69 0.00 0.00 174.62 174.68 2k5p s THR 53 N 5.85 5.21 0.03 -0.82 -4.23 -1.26 -1.17 115.64 119.25 2k5p s THR 53 Ca 0.58 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 2k5p s THR 53 Cb -0.12 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 2k5p s THR 53 CO 0.29 0.35 0.11 -0.69 -0.54 0.00 0.00 174.62 174.14 2k5p s VAL 54 N 0.55 4.84 0.20 2.29 1.01 0.41 -4.95 120.40 124.75 2k5p s VAL 54 Ca 0.24 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2k5p s VAL 54 Cb -0.15 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2k5p s VAL 54 CO 0.09 0.26 0.08 0.29 0.00 0.00 0.00 175.10 175.82 2k5p n LYS 55 N 0.83 0.67 -1.97 2.72 5.02 -1.26 -3.17 118.16 121.00 2k5p n LYS 55 Ca -0.10 -1.71 -0.43 0.00 -2.02 0.00 0.00 58.31 54.05 2k5p n LYS 55 Cb 0.52 1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.50 2k5p n LYS 55 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k5p s ASP 56 N -2.23 5.98 0.00 4.39 -1.08 -1.26 -4.14 116.67 118.32 2k5p s ASP 56 Ca 0.12 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.63 2k5p s ASP 56 Cb 0.01 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2k5p s ASP 56 CO 0.08 -1.61 0.00 0.61 0.52 0.00 0.00 175.17 174.77 2k5p n GLY 57 N 5.26 0.80 3.31 2.66 0.00 0.11 -4.83 105.19 112.49 2k5p n GLY 57 Ca 0.23 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 2k5p n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5p s ASP 58 N -1.66 -0.03 -0.44 1.61 -1.08 -1.23 -5.00 116.67 108.83 2k5p s ASP 58 Ca 0.00 -0.62 -0.05 0.00 -0.52 0.00 0.00 52.55 51.37 2k5p s ASP 58 Cb 0.00 0.43 0.12 0.00 -1.46 0.00 0.00 42.92 42.00 2k5p s ASP 58 CO 0.00 -0.84 0.26 0.00 0.52 0.00 0.00 175.17 175.11 2k5p s ALA 59 N -3.88 3.25 -0.15 3.66 0.00 -1.26 0.10 121.76 123.48 2k5p s ALA 59 Ca 0.09 -2.59 -0.14 0.00 0.00 0.00 0.00 51.96 49.32 2k5p s ALA 59 Cb 0.03 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2k5p s ALA 59 CO -0.07 -1.85 0.30 0.54 0.00 0.00 0.00 175.76 174.68 2k5p s VAL 60 N 1.11 5.29 -0.23 0.00 0.11 -1.22 -0.29 120.40 125.18 2k5p s VAL 60 Ca 0.08 0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 59.65 2k5p s VAL 60 Cb -0.23 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 2k5p s VAL 60 CO -0.03 0.41 0.01 -1.61 -3.33 0.00 0.00 175.10 170.54 2k5p s GLU 61 N 0.30 3.54 -0.18 1.54 2.02 0.43 -0.59 118.70 125.76 2k5p s GLU 61 Ca 0.17 -0.55 -0.10 0.00 0.02 0.00 0.00 54.97 54.52 2k5p s GLU 61 Cb -0.13 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 30.91 2k5p s GLU 61 CO 0.05 -0.14 0.15 -0.06 0.02 0.00 0.00 175.26 175.27 2k5p s PHE 62 N 1.40 3.46 -0.21 1.61 0.40 -1.26 -2.81 117.98 120.56 2k5p s PHE 62 Ca 0.05 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 2k5p s PHE 62 Cb -0.15 -2.13 0.05 0.00 0.51 0.00 0.00 43.02 41.31 2k5p s PHE 62 CO 0.00 0.38 -0.07 -0.48 0.70 0.00 0.00 175.22 175.76 2k5p s LEU 63 N 0.07 2.29 0.00 -0.37 2.34 -1.26 -4.79 118.68 116.96 2k5p s LEU 63 Ca 0.10 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.30 2k5p s LEU 63 Cb -0.11 -1.13 0.00 0.00 -0.56 0.00 0.00 46.19 44.38 2k5p s LEU 63 CO -0.00 -0.20 0.00 -1.22 -1.06 0.00 0.00 176.35 173.87 2k5p n TYR 64 N 4.72 0.00 -2.99 3.48 4.01 -1.26 -4.95 117.16 120.16 2k5p n TYR 64 Ca -0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.20 2k5p n TYR 64 Cb 0.45 -0.80 -0.05 0.00 -0.31 0.00 0.00 39.34 38.63 2k5p n TYR 64 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2k5p s PHE 65 N -2.08 3.29 0.28 -0.72 0.08 -1.26 -5.04 117.98 112.54 2k5p s PHE 65 Ca 0.00 0.97 -0.20 0.00 0.12 0.00 0.00 56.93 57.82 2k5p s PHE 65 Cb 0.00 -2.97 -0.09 0.00 -0.57 0.00 0.00 43.02 39.39 2k5p s PHE 65 CO 0.00 -0.38 0.80 -1.64 -0.10 0.00 0.00 175.22 173.90 2k5p s MET 66 N 2.70 4.28 0.00 0.44 -1.94 -1.26 -4.76 119.30 118.75 2k5p s MET 66 Ca 0.31 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 2k5p s MET 66 Cb -0.15 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 33.98 2k5p s MET 66 CO 0.08 0.28 0.00 0.41 -0.01 0.00 0.00 175.02 175.79 2k5p n GLY 67 N 0.35 0.40 0.72 -0.03 0.00 -1.26 -4.75 105.19 100.62 2k5p n GLY 67 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k5p n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5p n GLY 68 N 0.00 -1.71 2.65 -0.02 0.00 -1.26 -4.82 105.19 100.03 2k5p n GLY 68 Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 2k5p n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5p n GLY 69 N 0.88 5.39 3.49 -0.02 0.00 -1.26 -4.90 105.19 108.77 2k5p n GLY 69 Ca 0.00 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 2k5p n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k5p n LYS 70 N 1.56 0.79 -1.40 1.61 4.81 -1.26 -4.95 118.16 119.32 2k5p n LYS 70 Ca 0.50 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.93 2k5p n LYS 70 Cb 0.28 -2.54 0.07 0.00 0.02 0.00 0.00 35.03 32.87 2k5p n LYS 70 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k5p n LEU 71 N 11.99 0.00 -2.52 3.14 4.77 -1.26 -4.91 117.00 128.21 2k5p n LEU 71 Ca 0.46 -0.97 -0.01 0.00 -0.03 0.00 0.00 56.01 55.46 2k5p n LEU 71 Cb 0.28 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2k5p n LEU 71 CO 0.79 -0.82 -0.46 -0.62 -1.33 0.00 0.00 177.39 174.95 2k5p n GLU 72 N -2.09 -3.23 -4.28 3.23 1.02 -1.26 -5.08 120.64 108.93 2k5p n GLU 72 Ca 0.08 2.61 -0.15 0.00 -0.02 0.00 0.00 57.16 59.68 2k5p n GLU 72 Cb 0.30 -4.71 -0.10 0.00 -0.02 0.00 0.00 31.44 26.90 2k5p n GLU 72 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2k5p s HIS 73 N -1.22 1.41 -0.06 -0.32 3.76 -1.26 -5.10 115.29 112.49 2k5p s HIS 73 Ca -0.06 -1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 53.41 2k5p s HIS 73 Cb 0.00 -0.81 -0.07 0.00 1.11 0.00 0.00 32.58 32.81 2k5p s HIS 73 CO 0.68 -0.32 2.04 -1.58 -0.85 0.00 0.00 174.74 174.70 2k5p s HIS 74 N -3.76 1.28 -0.29 1.40 2.46 -1.26 -4.85 115.29 110.27 2k5p s HIS 74 Ca 0.34 -0.08 -0.32 0.00 0.47 0.00 0.00 55.06 55.47 2k5p s HIS 74 Cb 0.07 -4.12 -0.09 0.00 -0.13 0.00 0.00 32.58 28.31 2k5p s HIS 74 CO 0.11 -4.95 2.20 0.72 -2.47 0.00 0.00 174.74 170.34 2k5p n HIS 75 N 8.99 1.77 -2.18 3.88 8.25 -1.26 -4.91 115.22 129.76 2k5p n HIS 75 Ca 0.23 0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 57.38 2k5p n HIS 75 Cb 0.43 -2.62 -0.03 0.00 1.12 0.00 0.00 29.99 28.89 2k5p n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5p s HIS 76 N 7.67 3.21 -0.09 4.41 5.04 -1.26 -5.03 115.29 129.24 2k5p s HIS 76 Ca 1.06 1.20 -0.23 0.00 -1.54 0.00 0.00 55.06 55.55 2k5p s HIS 76 Cb -0.64 -3.64 0.05 0.00 0.04 0.00 0.00 32.58 28.40 2k5p s HIS 76 CO 0.43 -2.00 0.53 -1.58 -2.34 0.00 0.00 174.74 169.79 2k5p s HIS 77 N 0.04 -0.51 -2.10 3.88 5.04 -1.26 -5.29 115.29 115.09 2k5p s HIS 77 Ca 0.57 1.00 0.31 0.00 -1.54 0.00 0.00 55.06 55.40 2k5p s HIS 77 Cb -0.37 0.25 1.74 0.00 0.04 0.00 0.00 32.58 34.24 2k5p s HIS 77 CO 0.40 -0.44 2.13 0.72 -2.34 0.00 0.00 174.74 175.20