#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 7.15 -0.08 3.17 0.01 -1.26 -1.46 114.94 122.46 2k5p s ASN 2 Ca 0.00 1.94 -0.03 0.00 -0.71 0.00 0.00 52.86 54.06 2k5p s ASN 2 Cb 0.00 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.13 2k5p s ASN 2 CO 0.00 -0.42 0.12 -0.76 -1.51 0.00 0.00 177.10 174.53 2k5p s LEU 3 N 1.02 0.06 -0.75 0.60 1.43 0.27 -0.90 118.68 120.40 2k5p s LEU 3 Ca 0.57 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.49 2k5p s LEU 3 Cb -0.28 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.01 2k5p s LEU 3 CO 0.29 -0.26 1.53 -0.89 0.23 0.00 0.00 176.35 177.24 2k5p s THR 4 N 2.23 3.62 -0.47 5.49 2.01 0.58 -3.24 115.64 125.85 2k5p s THR 4 Ca 0.04 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 2k5p s THR 4 Cb -0.13 -4.58 0.04 0.00 0.01 0.00 0.00 72.50 67.84 2k5p s THR 4 CO -0.05 -1.52 0.63 -0.69 -0.69 0.00 0.00 174.62 172.30 2k5p s VAL 5 N 6.97 4.85 -1.51 3.82 1.01 -0.63 -2.39 120.40 132.52 2k5p s VAL 5 Ca 0.49 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2k5p s VAL 5 Cb -0.08 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.07 2k5p s VAL 5 CO 0.12 -0.70 0.62 0.59 0.00 0.00 0.00 175.10 175.73 2k5p n ASN 6 N 6.23 -5.74 0.00 3.32 3.02 -1.23 -1.13 115.26 119.73 2k5p n ASN 6 Ca -0.04 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2k5p n ASN 6 Cb 0.47 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 2k5p n ASN 6 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5p n GLY 7 N -1.50 0.76 3.55 7.41 0.00 -1.26 -5.05 105.19 109.11 2k5p n GLY 7 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.48 3.56 -1.05 1.61 1.02 -0.28 -4.98 119.74 119.14 2k5p s LYS 8 Ca 0.00 -0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.73 2k5p s LYS 8 Cb 0.00 -3.85 -0.08 0.00 -0.52 0.00 0.00 37.83 33.39 2k5p s LYS 8 CO 0.00 -0.78 2.17 -0.35 -0.92 0.00 0.00 175.35 175.47 2k5p n PRO 9 N 6.01 2.21 -3.27 -1.68 -0.04 -1.26 -1.60 135.00 135.36 2k5p n PRO 9 Ca -0.02 -1.89 -0.21 0.00 -0.04 0.00 0.00 63.50 61.34 2k5p n PRO 9 Cb 0.48 -2.81 0.03 0.00 -0.04 0.00 0.00 33.50 31.16 2k5p n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k5p s SER 10 N 3.80 5.06 -0.13 3.54 0.15 -1.20 -4.96 113.70 119.96 2k5p s SER 10 Ca 0.51 -0.88 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 2k5p s SER 10 Cb 0.13 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2k5p s SER 10 CO 0.01 -1.16 0.32 0.28 1.20 0.00 0.00 173.24 173.90 2k5p s THR 11 N -2.63 -0.02 -0.26 6.45 -1.32 -1.26 -0.57 115.64 116.02 2k5p s THR 11 Ca 0.53 0.07 -0.24 0.00 -1.21 0.00 0.00 61.69 60.84 2k5p s THR 11 Cb -0.05 -0.47 -0.00 0.00 -1.51 0.00 0.00 72.50 70.46 2k5p s THR 11 CO 0.33 0.03 0.81 0.68 -2.21 0.00 0.00 174.62 174.26 2k5p s VAL 12 N 0.82 4.82 -0.35 5.08 -7.23 -0.54 -4.87 120.40 118.13 2k5p s VAL 12 Ca -0.05 1.43 -0.36 0.00 -1.81 0.00 0.00 61.98 61.18 2k5p s VAL 12 Cb -0.06 -4.12 -0.12 0.00 0.56 0.00 0.00 36.38 32.63 2k5p s VAL 12 CO -0.06 -0.13 2.14 -0.67 -0.31 0.00 0.00 175.10 176.07 2k5p n ASP 13 N 6.07 2.05 0.00 4.85 2.03 -1.26 0.78 116.55 131.07 2k5p n ASP 13 Ca 0.05 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2k5p n ASP 13 Cb 0.48 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 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 6.41 1.46 2.52 0.27 0.00 -1.26 -4.76 105.19 109.83 2k5p n GLY 14 Ca 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 2k5p n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5p n ALA 15 N 7.67 -3.48 -2.57 4.61 0.00 -1.26 0.13 120.51 125.61 2k5p n ALA 15 Ca 0.00 0.87 -0.42 0.00 0.00 0.00 0.00 53.44 53.89 2k5p n ALA 15 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 2k5p n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k5p s GLU 16 N -1.23 3.81 0.09 0.00 2.12 -1.26 -4.55 118.70 117.68 2k5p s GLU 16 Ca -0.07 -1.61 0.00 0.00 0.36 0.00 0.00 54.97 53.65 2k5p s GLU 16 Cb 0.00 -5.46 0.00 0.00 0.26 0.00 0.00 34.13 28.93 2k5p s GLU 16 CO 0.68 -2.25 0.00 -1.13 -0.54 0.00 0.00 175.26 172.02 2k5p n SER 17 N 8.66 -8.93 -4.00 -1.70 3.41 -1.26 -5.06 113.62 104.75 2k5p n SER 17 Ca 0.42 1.57 -0.23 0.00 -0.26 0.00 0.00 58.87 60.37 2k5p n SER 17 Cb 0.48 -4.93 -0.16 0.00 -0.26 0.00 0.00 64.21 59.34 2k5p n SER 17 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k5p s LEU 18 N -0.53 1.62 0.84 1.04 1.43 -1.09 -5.00 118.68 116.99 2k5p s LEU 18 Ca 0.00 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 2k5p s LEU 18 Cb 0.00 -0.69 0.11 0.00 0.03 0.00 0.00 46.19 45.64 2k5p s LEU 18 CO 0.00 0.03 1.20 0.54 0.23 0.00 0.00 176.35 178.35 2k5p s ASN 19 N 0.57 4.21 0.32 2.29 4.22 -1.26 -0.44 114.94 124.85 2k5p s ASN 19 Ca -0.11 0.63 0.03 0.00 -2.14 0.00 0.00 52.86 51.28 2k5p s ASN 19 Cb -0.14 -1.03 0.63 0.00 1.28 0.00 0.00 41.25 41.99 2k5p s ASN 19 CO 0.02 -2.07 1.91 0.58 -2.04 0.00 0.00 177.10 175.49 2k5p h VAL 20 N -1.16 1.00 -0.48 3.54 2.07 -0.89 -0.01 116.25 120.33 2k5p h VAL 20 Ca -0.45 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2k5p h VAL 20 Cb 1.31 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2k5p h VAL 20 CO 0.59 0.16 0.18 0.74 0.02 0.00 0.00 177.57 179.27 2k5p h THR 21 N 0.90 0.86 0.00 2.57 2.02 -1.65 0.08 112.91 117.68 2k5p h THR 21 Ca 0.40 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.37 2k5p h THR 21 Cb 0.34 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2k5p h THR 21 CO -0.16 0.07 -0.37 -0.33 0.37 0.00 0.00 175.52 175.10 2k5p h GLU 22 N 0.36 0.00 -0.37 6.66 4.39 -1.38 -1.85 114.58 122.39 2k5p h GLU 22 Ca 0.23 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.81 2k5p h GLU 22 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k5p h GLU 22 CO -0.22 0.37 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.68 2k5p h LEU 23 N 0.00 0.77 -0.95 1.33 3.38 -0.30 0.21 115.31 119.75 2k5p h LEU 23 Ca -0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2k5p h LEU 23 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2k5p h LEU 23 CO 0.05 0.98 0.17 -0.07 0.09 0.00 0.00 178.44 179.66 2k5p h LEU 24 N 0.65 0.87 -0.03 1.67 3.38 -0.48 -1.03 115.31 120.34 2k5p h LEU 24 Ca 0.09 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 2k5p h LEU 24 Cb 0.76 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k5p h LEU 24 CO 0.06 0.83 -1.06 0.77 0.09 0.00 0.00 178.44 179.13 2k5p h SER 25 N 0.90 0.75 -0.40 -0.43 4.64 -1.18 0.19 113.55 118.01 2k5p h SER 25 Ca 0.20 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2k5p h SER 25 Cb 0.29 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2k5p h SER 25 CO -0.00 1.43 0.27 0.00 -0.87 0.00 0.00 176.83 177.66 2k5p h ALA 26 N 0.51 0.51 0.00 5.18 0.00 -0.41 -1.68 119.26 123.37 2k5p h ALA 26 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k5p h ALA 26 Cb 1.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2k5p h ALA 26 CO 0.20 -0.04 -0.02 -0.07 0.00 0.00 0.00 179.25 179.32 2k5p h LEU 27 N 0.54 0.00 -2.51 0.00 3.38 -1.27 -3.49 115.31 111.96 2k5p h LEU 27 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k5p h LEU 27 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k5p h LEU 27 CO -0.03 0.00 -0.41 1.17 0.09 0.00 0.00 178.44 179.26 2k5p n LYS 28 N -2.77 -1.74 -3.60 1.13 3.00 0.53 -5.05 118.16 109.66 2k5p n LYS 28 Ca 0.05 1.67 -0.36 0.00 -0.00 0.00 0.00 58.31 59.66 2k5p n LYS 28 Cb 0.49 -4.13 -0.06 0.00 0.00 0.00 0.00 35.03 31.33 2k5p n LYS 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k5p s VAL 29 N -1.80 5.14 -0.07 3.15 0.11 -0.35 -5.00 120.40 121.57 2k5p s VAL 29 Ca 0.12 0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 59.56 2k5p s VAL 29 Cb -0.03 -3.64 -0.29 0.00 -1.53 0.00 0.00 36.38 30.89 2k5p s VAL 29 CO 0.50 0.45 0.67 0.00 -3.33 0.00 0.00 175.10 173.39 2k5p h ALA 30 N 4.29 0.10 -1.27 1.54 0.00 -1.96 -3.40 119.26 118.56 2k5p h ALA 30 Ca -0.51 -1.02 -0.74 0.00 0.00 0.00 0.00 54.91 52.65 2k5p h ALA 30 Cb 1.21 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 19.24 2k5p h ALA 30 CO 0.63 0.78 1.75 1.04 0.00 0.00 0.00 179.25 183.46 2k5p n GLN 31 N -3.88 3.40 0.27 0.00 1.13 -1.26 -4.80 117.38 112.23 2k5p n GLN 31 Ca -0.22 -3.62 0.14 0.00 -1.94 0.00 0.00 57.00 51.35 2k5p n GLN 31 Cb 0.94 -3.07 0.75 0.00 0.11 0.00 0.00 30.24 28.96 2k5p n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k5p h ALA 32 N 6.71 1.22 -0.00 -1.58 0.00 -1.99 -0.33 119.26 123.29 2k5p h ALA 32 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k5p h ALA 32 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k5p h ALA 32 CO 1.42 0.13 -0.58 0.39 0.00 0.00 0.00 179.25 180.60 2k5p n GLU 33 N -3.53 0.23 0.00 0.00 -0.58 -1.26 -4.26 120.64 111.23 2k5p n GLU 33 Ca -0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2k5p n GLU 33 Cb 0.24 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2k5p n GLU 33 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2k5p n TYR 34 N -1.25 0.00 -2.15 -0.32 4.02 -0.84 -5.06 117.16 111.56 2k5p n TYR 34 Ca 0.06 -0.16 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 2k5p n TYR 34 Cb 0.35 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 2k5p n TYR 34 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k5p s VAL 35 N -0.32 3.22 -0.29 -0.72 0.11 -0.19 -5.01 120.40 117.20 2k5p s VAL 35 Ca 0.00 0.89 -0.03 0.00 -2.93 0.00 0.00 61.98 59.90 2k5p s VAL 35 Cb 0.00 -3.57 0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2k5p s VAL 35 CO 0.00 0.07 0.01 -0.89 -3.33 0.00 0.00 175.10 170.97 2k5p s THR 36 N 1.03 3.25 0.05 5.04 2.01 -1.26 -5.00 115.64 120.76 2k5p s THR 36 Ca 0.64 -1.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 2k5p s THR 36 Cb -0.38 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2k5p s THR 36 CO 0.31 -0.01 -0.04 0.68 -0.69 0.00 0.00 174.62 174.87 2k5p s VAL 37 N 1.34 0.28 0.28 3.82 -7.23 -1.26 -3.77 120.40 113.85 2k5p s VAL 37 Ca -0.02 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2k5p s VAL 37 Cb -0.18 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 2k5p s VAL 37 CO -0.01 -0.93 0.08 -1.83 -0.31 0.00 0.00 175.10 172.10 2k5p s GLU 38 N -3.65 1.48 -0.06 4.82 1.03 -0.98 -2.05 118.70 119.28 2k5p s GLU 38 Ca 0.05 -1.80 -0.00 0.00 0.03 0.00 0.00 54.97 53.25 2k5p s GLU 38 Cb 0.06 -0.47 0.02 0.00 -0.80 0.00 0.00 34.13 32.94 2k5p s GLU 38 CO -0.08 -0.25 -0.03 -0.48 -1.33 0.00 0.00 175.26 173.09 2k5p s LEU 39 N -3.36 1.03 -1.63 1.83 0.05 0.03 -0.21 118.68 116.42 2k5p s LEU 39 Ca 0.37 -0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.41 2k5p s LEU 39 Cb 0.08 -0.51 0.00 0.00 -2.05 0.00 0.00 46.19 43.71 2k5p s LEU 39 CO 0.14 -0.11 0.00 0.59 -0.55 0.00 0.00 176.35 176.41 2k5p n ASN 40 N 4.59 -4.60 0.00 1.48 3.02 -0.20 -1.63 115.26 117.91 2k5p n ASN 40 Ca -0.16 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2k5p n ASN 40 Cb 0.50 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 2k5p n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5p n GLY 41 N -0.19 3.11 3.66 7.41 0.00 -1.26 -5.07 105.19 112.84 2k5p n GLY 41 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 4.20 0.28 1.61 2.56 -0.65 -4.92 118.70 121.79 2k5p s GLU 42 Ca 0.00 2.05 -0.25 0.00 0.00 0.00 0.00 54.97 56.77 2k5p s GLU 42 Cb 0.00 -3.89 -0.09 0.00 2.00 0.00 0.00 34.13 32.15 2k5p s GLU 42 CO 0.00 -0.79 0.87 0.54 -0.56 0.00 0.00 175.26 175.33 2k5p s VAL 43 N 3.73 4.31 0.02 3.70 0.11 -1.26 -0.79 120.40 130.22 2k5p s VAL 43 Ca 0.68 1.69 -0.17 0.00 -2.93 0.00 0.00 61.98 61.26 2k5p s VAL 43 Cb -0.31 -4.00 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 2k5p s VAL 43 CO 0.26 0.21 0.48 -0.76 -3.33 0.00 0.00 175.10 171.95 2k5p s LEU 44 N -1.91 4.48 0.70 2.54 2.01 -0.87 -4.96 118.68 120.66 2k5p s LEU 44 Ca 0.47 1.07 -0.11 0.00 0.01 0.00 0.00 54.13 55.57 2k5p s LEU 44 Cb -0.19 -2.72 0.01 0.00 0.01 0.00 0.00 46.19 43.30 2k5p s LEU 44 CO 0.24 0.28 1.08 -0.70 1.01 0.00 0.00 176.35 178.26 2k5p s GLU 45 N -0.97 2.93 0.62 1.70 2.56 -1.26 -4.77 118.70 119.50 2k5p s GLU 45 Ca 0.26 0.54 0.26 0.00 0.00 0.00 0.00 54.97 56.02 2k5p s GLU 45 Cb -0.18 -2.02 1.20 0.00 2.00 0.00 0.00 34.13 35.13 2k5p s GLU 45 CO 0.15 -1.00 1.64 0.07 -0.56 0.00 0.00 175.26 175.56 2k5p h ARG 46 N -0.63 0.00 -0.00 4.30 0.11 -1.97 0.17 114.38 116.36 2k5p h ARG 46 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2k5p h ARG 46 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2k5p h ARG 46 CO 0.63 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 179.85 2k5p n GLU 47 N -3.31 1.85 0.02 0.08 0.28 -1.26 -4.62 120.64 113.67 2k5p n GLU 47 Ca 0.10 -1.22 0.12 0.00 -0.16 0.00 0.00 57.16 56.00 2k5p n GLU 47 Cb 0.90 -1.00 0.13 0.00 1.43 0.00 0.00 31.44 32.90 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 -0.35 3.54 -0.26 -1.84 0.00 0.05 -4.23 120.51 117.42 2k5p n ALA 48 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2k5p n ALA 48 Cb 0.18 -1.05 0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 1.10 0.23 0.00 0.04 -1.82 -2.70 116.94 113.78 2k5p h PHE 49 Ca 0.00 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2k5p h PHE 49 Cb 0.61 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2k5p h PHE 49 CO 0.00 0.79 -0.11 -0.44 -0.60 0.00 0.00 178.31 177.95 2k5p h ASP 50 N 1.09 -0.26 -0.59 2.17 3.32 -1.93 -1.94 116.42 118.29 2k5p h ASP 50 Ca 0.27 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2k5p h ASP 50 Cb 0.10 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2k5p h ASP 50 CO -0.03 0.25 0.22 0.00 -1.72 0.00 0.00 179.24 177.96 2k5p h ALA 51 N -0.57 1.21 -1.33 3.45 0.00 -1.78 -3.40 119.26 116.84 2k5p h ALA 51 Ca -0.03 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.20 2k5p h ALA 51 Cb 0.48 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2k5p h ALA 51 CO 0.05 0.56 1.20 0.99 0.00 0.00 0.00 179.25 182.05 2k5p s THR 52 N -5.37 3.54 -0.09 0.00 2.01 -1.02 -4.97 115.64 109.73 2k5p s THR 52 Ca -0.10 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 2k5p s THR 52 Cb 0.16 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2k5p s THR 52 CO 0.81 -1.34 0.79 0.42 -0.69 0.00 0.00 174.62 174.60 2k5p s THR 53 N 7.64 4.96 0.10 -0.82 -4.23 -1.26 -1.44 115.64 120.59 2k5p s THR 53 Ca 0.54 1.60 0.02 0.00 -1.18 0.00 0.00 61.69 62.67 2k5p s THR 53 Cb -0.09 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 2k5p s THR 53 CO 0.14 0.16 0.19 -0.69 -0.54 0.00 0.00 174.62 173.87 2k5p s VAL 54 N 1.31 5.06 0.00 2.29 1.01 0.42 -4.91 120.40 125.57 2k5p s VAL 54 Ca 0.40 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2k5p s VAL 54 Cb -0.18 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 2k5p s VAL 54 CO 0.18 0.06 0.00 2.29 0.00 0.00 0.00 175.10 177.62 2k5p n LYS 55 N 0.07 0.09 -2.07 2.72 2.85 -1.26 -2.67 118.16 117.89 2k5p n LYS 55 Ca -0.07 -0.01 -0.41 0.00 -1.05 0.00 0.00 58.31 56.78 2k5p n LYS 55 Cb 0.52 0.01 -0.02 0.00 -0.65 0.00 0.00 35.03 34.88 2k5p n LYS 55 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2k5p s ASP 56 N -1.00 6.72 0.00 -5.58 2.15 -1.26 -3.93 116.67 113.77 2k5p s ASP 56 Ca 0.00 2.64 0.00 0.00 0.43 0.00 0.00 52.55 55.62 2k5p s ASP 56 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2k5p s ASP 56 CO 0.00 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2k5p n GLY 57 N 1.72 0.46 2.90 2.66 0.00 -0.08 -4.91 105.19 107.95 2k5p n GLY 57 Ca 0.04 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 2k5p n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k5p n ASP 58 N -0.98 -0.68 -3.67 1.61 2.03 -1.18 -5.04 116.55 108.64 2k5p n ASP 58 Ca 0.00 -2.96 -0.28 0.00 0.52 0.00 0.00 54.79 52.07 2k5p n ASP 58 Cb 0.48 1.56 -0.16 0.00 -0.72 0.00 0.00 41.12 42.28 2k5p n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5p s ALA 59 N -3.18 0.83 -0.31 -1.67 0.00 -1.26 -0.31 121.76 115.86 2k5p s ALA 59 Ca 0.35 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.49 2k5p s ALA 59 Cb 0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2k5p s ALA 59 CO 0.25 -1.28 0.17 0.54 0.00 0.00 0.00 175.76 175.43 2k5p s VAL 60 N 1.95 4.80 -0.42 0.00 0.11 -1.01 -1.04 120.40 124.80 2k5p s VAL 60 Ca 0.02 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 58.62 2k5p s VAL 60 Cb -0.17 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2k5p s VAL 60 CO -0.14 0.10 0.44 -1.61 -3.33 0.00 0.00 175.10 170.57 2k5p s GLU 61 N 1.65 3.15 -0.35 1.54 2.02 0.71 -3.51 118.70 123.91 2k5p s GLU 61 Ca 0.05 -0.71 -0.13 0.00 0.02 0.00 0.00 54.97 54.21 2k5p s GLU 61 Cb -0.17 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 2k5p s GLU 61 CO 0.07 -0.84 0.24 0.12 0.02 0.00 0.00 175.26 174.88 2k5p s PHE 62 N 2.17 3.23 0.05 1.61 5.36 -1.26 -2.32 117.98 126.81 2k5p s PHE 62 Ca 0.13 -0.31 -0.21 0.00 -0.96 0.00 0.00 56.93 55.58 2k5p s PHE 62 Cb -0.17 -2.48 -0.06 0.00 -0.34 0.00 0.00 43.02 39.98 2k5p s PHE 62 CO 0.14 -0.40 0.62 -0.51 -1.46 0.00 0.00 175.22 173.61 2k5p s LEU 63 N 1.70 4.48 -0.29 6.12 1.43 -1.25 -4.95 118.68 125.93 2k5p s LEU 63 Ca 0.06 1.28 0.11 0.00 -1.03 0.00 0.00 54.13 54.55 2k5p s LEU 63 Cb -0.18 -2.98 0.64 0.00 0.03 0.00 0.00 46.19 43.70 2k5p s LEU 63 CO 0.10 0.17 1.65 0.00 0.23 0.00 0.00 176.35 178.49 2k5p n TYR 64 N 2.24 1.83 -0.99 0.29 4.11 -1.26 -4.84 117.16 118.54 2k5p n TYR 64 Ca -0.08 -1.25 -0.34 0.00 -0.00 0.00 0.00 57.90 56.24 2k5p n TYR 64 Cb 0.51 -0.57 0.10 0.00 -0.00 0.00 0.00 39.34 39.38 2k5p n TYR 64 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.86 178.83 2k5p n PHE 65 N -0.52 -1.03 -0.80 -3.48 -1.74 -1.26 -4.84 117.46 103.79 2k5p n PHE 65 Ca 0.36 0.29 0.10 0.00 -0.56 0.00 0.00 57.45 57.63 2k5p n PHE 65 Cb 1.21 -1.85 -0.04 0.00 1.52 0.00 0.00 39.48 40.31 2k5p n PHE 65 CO 0.00 0.00 0.00 -0.12 -0.56 0.00 0.00 176.76 176.08 2k5p n MET 66 N -1.45 -1.77 0.00 3.97 0.00 -1.26 -5.10 117.12 111.51 2k5p n MET 66 Ca 0.08 1.36 0.00 0.00 0.00 0.00 0.00 57.70 59.15 2k5p n MET 66 Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.64 2k5p n MET 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5p n GLY 67 N -3.45 -1.88 0.00 -5.12 0.00 -1.26 -5.17 105.19 88.32 2k5p n GLY 67 Ca -0.03 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 4.24 0.91 -0.02 0.00 -1.26 -5.00 105.19 104.06 2k5p n GLY 68 Ca 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.77 1.22 3.15 -0.02 0.00 -1.26 -4.75 105.19 102.76 2k5p n GLY 69 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.49 2k5p n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5p s LYS 70 N -1.47 0.36 -0.04 1.61 2.20 -1.26 -5.03 119.74 116.11 2k5p s LYS 70 Ca 0.35 0.47 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 2k5p s LYS 70 Cb 0.19 0.24 0.09 0.00 -1.51 0.00 0.00 37.83 36.84 2k5p s LYS 70 CO 0.26 -0.58 0.96 1.28 -0.36 0.00 0.00 175.35 176.92 2k5p n LEU 71 N 5.34 1.07 -4.61 5.43 4.77 -1.26 -5.06 117.00 122.68 2k5p n LEU 71 Ca 0.03 -1.66 -0.43 0.00 -0.03 0.00 0.00 56.01 53.92 2k5p n LEU 71 Cb 0.55 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2k5p n LEU 71 CO -0.08 0.39 1.48 -0.70 -1.33 0.00 0.00 177.39 177.15 2k5p s GLU 72 N -1.08 3.46 0.00 3.23 2.12 -1.26 -4.63 118.70 120.54 2k5p s GLU 72 Ca 0.10 1.45 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2k5p s GLU 72 Cb 0.09 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.33 2k5p s GLU 72 CO 0.01 -1.71 0.00 0.72 -0.54 0.00 0.00 175.26 173.74 2k5p n HIS 73 N 9.77 -0.14 -1.64 5.30 8.25 -1.26 -5.16 115.22 130.33 2k5p n HIS 73 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2k5p n HIS 73 Cb 0.46 0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2k5p n HIS 73 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5p n HIS 74 N -2.28 -3.75 -0.74 4.41 8.25 -1.26 -4.74 115.22 115.10 2k5p n HIS 74 Ca 0.00 2.22 -0.07 0.00 -0.26 0.00 0.00 57.72 59.62 2k5p n HIS 74 Cb 0.00 -3.27 -0.05 0.00 1.12 0.00 0.00 29.99 27.79 2k5p n HIS 74 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5p n HIS 75 N 1.28 0.25 -2.96 4.41 -0.00 -1.26 -4.91 115.22 112.04 2k5p n HIS 75 Ca 0.00 -1.30 -0.40 0.00 0.46 0.00 0.00 57.72 56.47 2k5p n HIS 75 Cb 0.00 -0.92 -0.04 0.00 -0.12 0.00 0.00 29.99 28.90 2k5p n HIS 75 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5p s HIS 76 N 0.01 3.57 -0.09 1.57 5.04 -1.26 -5.05 115.29 119.08 2k5p s HIS 76 Ca 0.26 1.34 -0.14 0.00 -1.54 0.00 0.00 55.06 54.98 2k5p s HIS 76 Cb 0.14 -2.89 0.03 0.00 0.04 0.00 0.00 32.58 29.90 2k5p s HIS 76 CO -0.01 0.03 0.36 -1.58 -2.34 0.00 0.00 174.74 171.20 2k5p s HIS 77 N 1.00 -0.34 -2.28 3.88 2.46 -1.26 -5.26 115.29 113.49 2k5p s HIS 77 Ca 0.40 0.75 0.30 0.00 0.47 0.00 0.00 55.06 56.99 2k5p s HIS 77 Cb -0.18 0.13 1.43 0.00 -0.13 0.00 0.00 32.58 33.83 2k5p s HIS 77 CO 0.19 -0.27 1.96 0.72 -2.47 0.00 0.00 174.74 174.87