#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 5.98 0.10 3.17 0.01 -1.26 -0.77 114.94 122.16 2k5p s ASN 2 Ca 0.00 0.23 0.03 0.00 -0.71 0.00 0.00 52.86 52.41 2k5p s ASN 2 Cb 0.00 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 2k5p s ASN 2 CO 0.00 0.25 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.99 2k5p s LEU 3 N -0.08 2.45 -0.40 0.60 1.02 -0.25 0.16 118.68 122.16 2k5p s LEU 3 Ca 0.09 -0.89 -0.08 0.00 0.02 0.00 0.00 54.13 53.27 2k5p s LEU 3 Cb -0.12 -0.22 0.07 0.00 0.02 0.00 0.00 46.19 45.94 2k5p s LEU 3 CO 0.00 -0.34 0.22 -0.89 0.02 0.00 0.00 176.35 175.37 2k5p s THR 4 N -2.88 4.10 -0.05 5.49 2.01 -0.13 0.42 115.64 124.60 2k5p s THR 4 Ca 0.08 -1.37 0.06 0.00 0.31 0.00 0.00 61.69 60.77 2k5p s THR 4 Cb 0.00 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 2k5p s THR 4 CO -0.01 -0.45 -0.24 0.68 -0.69 0.00 0.00 174.62 173.91 2k5p s VAL 5 N 1.41 2.14 -1.72 3.82 -7.23 0.86 -0.68 120.40 119.00 2k5p s VAL 5 Ca 0.02 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2k5p s VAL 5 Cb -0.22 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2k5p s VAL 5 CO 0.02 0.57 0.01 0.59 -0.31 0.00 0.00 175.10 175.98 2k5p n ASN 6 N 2.77 -5.76 -0.65 4.85 4.13 -1.25 -0.45 115.26 118.90 2k5p n ASN 6 Ca -0.17 -0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.01 2k5p n ASN 6 Cb 0.52 -4.80 -0.03 0.00 -1.54 0.00 0.00 39.78 33.93 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 -1.00 0.91 3.14 7.41 0.00 -1.26 -5.00 105.19 109.38 2k5p n GLY 7 Ca -0.24 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.86 1.10 0.36 1.61 1.02 0.40 -5.14 119.74 116.23 2k5p s LYS 8 Ca 0.00 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 2k5p s LYS 8 Cb 0.00 -1.10 -0.09 0.00 -0.52 0.00 0.00 37.83 36.12 2k5p s LYS 8 CO 0.00 0.29 1.09 -1.25 -0.92 0.00 0.00 175.35 174.56 2k5p s PRO 9 N -0.76 4.31 0.12 -1.68 0.04 -1.26 -0.10 135.00 135.68 2k5p s PRO 9 Ca 0.04 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 2k5p s PRO 9 Cb -0.07 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 2k5p s PRO 9 CO 0.00 -0.05 0.20 -1.54 0.04 0.00 0.00 177.00 175.66 2k5p s SER 10 N -1.23 0.13 -0.21 6.66 1.04 0.17 -4.89 113.70 115.35 2k5p s SER 10 Ca 0.53 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 2k5p s SER 10 Cb -0.27 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.30 2k5p s SER 10 CO 0.35 -0.79 0.16 -0.89 0.98 0.00 0.00 173.24 173.04 2k5p s THR 11 N -3.93 -0.20 -0.20 2.02 2.01 -1.26 -1.10 115.64 112.99 2k5p s THR 11 Ca 0.12 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 2k5p s THR 11 Cb 0.05 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2k5p s THR 11 CO -0.05 -0.34 0.07 0.68 -0.69 0.00 0.00 174.62 174.29 2k5p s VAL 12 N 2.22 4.79 0.59 3.82 -7.23 0.05 -4.95 120.40 119.69 2k5p s VAL 12 Ca 0.05 -0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.06 2k5p s VAL 12 Cb -0.16 -3.18 -0.05 0.00 0.56 0.00 0.00 36.38 33.56 2k5p s VAL 12 CO -0.16 0.43 1.02 -0.62 -0.31 0.00 0.00 175.10 175.46 2k5p s ASP 13 N 0.58 6.17 0.00 4.85 2.15 -1.26 0.12 116.67 129.29 2k5p s ASP 13 Ca 0.04 1.56 0.00 0.00 0.43 0.00 0.00 52.55 54.58 2k5p s ASP 13 Cb -0.13 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2k5p s ASP 13 CO 0.01 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 2k5p n GLY 14 N -1.96 1.90 3.59 2.66 0.00 -1.26 -4.78 105.19 105.34 2k5p n GLY 14 Ca 0.07 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.55 -0.20 4.61 0.00 -1.26 -4.82 121.76 122.64 2k5p s ALA 15 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 2k5p s ALA 15 Cb 0.00 -4.12 -0.20 0.00 0.00 0.00 0.00 23.12 18.80 2k5p s ALA 15 CO 0.00 -3.12 0.11 0.39 0.00 0.00 0.00 175.76 173.14 2k5p n GLU 16 N 8.71 0.65 -3.68 0.00 1.02 -1.26 0.10 120.64 126.18 2k5p n GLU 16 Ca 0.26 0.36 -0.09 0.00 -0.02 0.00 0.00 57.16 57.66 2k5p n GLU 16 Cb 0.48 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 2k5p n GLU 16 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k5p s SER 17 N -6.98 -0.62 0.00 1.62 0.01 -1.26 -3.72 113.70 102.76 2k5p s SER 17 Ca -0.29 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 57.76 2k5p s SER 17 Cb 0.08 0.96 0.06 0.00 0.21 0.00 0.00 66.02 67.34 2k5p s SER 17 CO 0.64 -0.21 0.59 -1.48 0.41 0.00 0.00 173.24 173.20 2k5p s LEU 18 N 1.53 -0.35 0.76 2.44 0.05 -0.21 -4.99 118.68 117.92 2k5p s LEU 18 Ca -0.09 0.43 -0.14 0.00 0.05 0.00 0.00 54.13 54.37 2k5p s LEU 18 Cb -0.08 2.32 0.06 0.00 -2.05 0.00 0.00 46.19 46.44 2k5p s LEU 18 CO -0.15 -0.67 1.21 0.54 -0.55 0.00 0.00 176.35 176.74 2k5p s ASN 19 N -1.60 3.95 0.45 1.48 4.22 -1.26 0.85 114.94 123.02 2k5p s ASN 19 Ca -0.08 2.38 0.19 0.00 -2.14 0.00 0.00 52.86 53.21 2k5p s ASN 19 Cb -0.01 -2.59 1.15 0.00 1.28 0.00 0.00 41.25 41.08 2k5p s ASN 19 CO 0.04 -2.43 1.91 0.58 -2.04 0.00 0.00 177.10 175.16 2k5p h VAL 20 N -0.51 0.73 -0.35 3.54 2.07 -0.33 -0.53 116.25 120.87 2k5p h VAL 20 Ca -0.47 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.00 2k5p h VAL 20 Cb 1.30 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 2k5p h VAL 20 CO 0.48 0.06 -0.04 0.74 0.02 0.00 0.00 177.57 178.83 2k5p h THR 21 N 0.32 0.70 -0.26 2.57 2.02 -1.86 0.21 112.91 116.61 2k5p h THR 21 Ca 0.39 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.43 2k5p h THR 21 Cb 1.05 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2k5p h THR 21 CO -0.11 0.01 -0.36 -0.33 0.37 0.00 0.00 175.52 175.10 2k5p h GLU 22 N 0.05 0.57 -0.22 6.66 4.39 -1.46 -2.20 114.58 122.37 2k5p h GLU 22 Ca 0.17 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.65 2k5p h GLU 22 Cb 0.24 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2k5p h GLU 22 CO -0.32 0.85 -0.11 1.25 -1.16 0.00 0.00 179.01 179.53 2k5p h LEU 23 N 0.48 -0.36 -0.87 1.33 5.85 -0.71 0.45 115.31 121.49 2k5p h LEU 23 Ca 0.05 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2k5p h LEU 23 Cb 0.85 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 2k5p h LEU 23 CO 0.07 -0.14 0.55 -0.07 -0.34 0.00 0.00 178.44 178.51 2k5p h LEU 24 N -0.08 0.88 -1.19 2.25 3.38 -0.85 -1.53 115.31 118.17 2k5p h LEU 24 Ca 0.12 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2k5p h LEU 24 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k5p h LEU 24 CO -0.27 0.58 -0.40 -1.28 0.09 0.00 0.00 178.44 177.16 2k5p h SER 25 N 1.02 0.00 -0.31 -0.43 0.87 -0.72 0.30 113.55 114.29 2k5p h SER 25 Ca 0.37 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2k5p h SER 25 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2k5p h SER 25 CO -0.15 0.40 -0.14 0.00 -0.53 0.00 0.00 176.83 176.41 2k5p h ALA 26 N 1.60 0.43 0.00 6.23 0.00 0.86 -2.59 119.26 125.79 2k5p h ALA 26 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k5p h ALA 26 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k5p h ALA 26 CO 0.05 0.31 -0.12 -0.07 0.00 0.00 0.00 179.25 179.43 2k5p h LEU 27 N 0.39 0.00 0.04 0.00 4.07 -1.27 -3.48 115.31 115.07 2k5p h LEU 27 Ca 0.07 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.74 2k5p h LEU 27 Cb 0.65 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.46 2k5p h LEU 27 CO 0.04 0.12 -0.46 1.17 -1.08 0.00 0.00 178.44 178.23 2k5p n LYS 28 N -3.17 -4.39 -2.02 1.13 4.81 0.10 -4.73 118.16 109.90 2k5p n LYS 28 Ca 0.02 0.64 -0.42 0.00 -0.87 0.00 0.00 58.31 57.68 2k5p n LYS 28 Cb 0.48 -4.99 -0.03 0.00 0.02 0.00 0.00 35.03 30.52 2k5p n LYS 28 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2k5p s VAL 29 N -3.09 2.88 0.31 3.15 0.11 -1.02 -4.72 120.40 118.03 2k5p s VAL 29 Ca 0.30 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2k5p s VAL 29 Cb -0.13 -3.40 0.20 0.00 -1.53 0.00 0.00 36.38 31.53 2k5p s VAL 29 CO 0.37 0.05 1.91 0.00 -3.33 0.00 0.00 175.10 174.09 2k5p h ALA 30 N 6.88 1.37 -2.86 1.54 0.00 -1.89 -3.34 119.26 120.95 2k5p h ALA 30 Ca -0.42 -0.13 -0.78 0.00 0.00 0.00 0.00 54.91 53.57 2k5p h ALA 30 Cb 1.21 -0.23 -0.27 0.00 0.00 0.00 0.00 17.79 18.49 2k5p h ALA 30 CO 0.90 0.48 0.06 -0.65 0.00 0.00 0.00 179.25 180.04 2k5p s GLN 31 N -5.42 3.51 -0.20 0.00 -1.52 -1.26 -4.83 119.66 109.95 2k5p s GLN 31 Ca -0.10 -2.51 -0.14 0.00 -1.95 0.00 0.00 55.36 50.67 2k5p s GLN 31 Cb 0.16 -4.35 -0.20 0.00 -0.22 0.00 0.00 33.01 28.40 2k5p s GLN 31 CO 0.78 -1.28 0.14 0.00 -0.25 0.00 0.00 175.29 174.68 2k5p n ALA 32 N 3.86 0.94 0.17 6.09 0.00 -1.26 -3.35 120.51 126.96 2k5p n ALA 32 Ca 0.14 -0.67 0.18 0.00 0.00 0.00 0.00 53.44 53.09 2k5p n ALA 32 Cb 0.46 -0.46 0.80 0.00 0.00 0.00 0.00 19.45 20.25 2k5p n ALA 32 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k5p h GLU 33 N -0.56 0.00 0.00 0.00 4.57 -1.94 -2.70 114.58 113.95 2k5p h GLU 33 Ca -0.45 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 2k5p h GLU 33 Cb 1.64 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.19 2k5p h GLU 33 CO -0.14 0.00 -0.47 0.66 -1.18 0.00 0.00 179.01 177.88 2k5p n TYR 34 N -3.78 0.00 -3.28 0.92 4.01 -1.26 -4.97 117.16 108.80 2k5p n TYR 34 Ca 0.03 -1.29 -0.39 0.00 -0.16 0.00 0.00 57.90 56.10 2k5p n TYR 34 Cb 0.41 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.79 4.77 -0.57 -0.72 0.11 -1.02 -5.03 120.40 115.16 2k5p s VAL 35 Ca 0.36 1.20 -0.17 0.00 -2.93 0.00 0.00 61.98 60.43 2k5p s VAL 35 Cb 0.35 -3.89 0.12 0.00 -1.53 0.00 0.00 36.38 31.43 2k5p s VAL 35 CO -0.06 0.54 0.58 -0.89 -3.33 0.00 0.00 175.10 171.95 2k5p s THR 36 N -1.01 5.06 -0.05 5.04 2.01 -1.26 -5.00 115.64 120.43 2k5p s THR 36 Ca 0.29 -1.32 0.06 0.00 0.31 0.00 0.00 61.69 61.03 2k5p s THR 36 Cb -0.19 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 67.90 2k5p s THR 36 CO 0.18 -0.97 -0.24 0.68 -0.69 0.00 0.00 174.62 173.58 2k5p s VAL 37 N 2.00 2.18 -0.08 3.82 -7.23 -1.26 -4.65 120.40 115.18 2k5p s VAL 37 Ca 0.07 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.24 2k5p s VAL 37 Cb -0.27 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 2k5p s VAL 37 CO 0.04 0.57 -0.21 -1.83 -0.31 0.00 0.00 175.10 173.36 2k5p s GLU 38 N -0.30 2.55 -0.66 4.82 -1.05 -1.26 -1.05 118.70 121.75 2k5p s GLU 38 Ca 0.01 -0.77 -0.22 0.00 -0.15 0.00 0.00 54.97 53.83 2k5p s GLU 38 Cb -0.13 -2.02 0.07 0.00 -0.44 0.00 0.00 34.13 31.61 2k5p s GLU 38 CO 0.02 0.21 0.96 -1.17 0.95 0.00 0.00 175.26 176.23 2k5p s LEU 39 N 0.24 4.43 0.00 1.83 1.98 0.86 -3.44 118.68 124.58 2k5p s LEU 39 Ca -0.13 -1.02 0.00 0.00 -2.89 0.00 0.00 54.13 50.09 2k5p s LEU 39 Cb -0.16 -2.41 0.00 0.00 0.66 0.00 0.00 46.19 44.28 2k5p s LEU 39 CO 0.06 -1.43 0.00 0.59 -1.89 0.00 0.00 176.35 173.68 2k5p n ASN 40 N 7.65 -0.73 0.00 3.68 5.03 0.16 -2.88 115.26 128.17 2k5p n ASN 40 Ca -0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.41 2k5p n ASN 40 Cb 0.45 -2.14 0.00 0.00 -1.02 0.00 0.00 39.78 37.08 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 -1.70 0.01 2.96 7.41 0.00 -1.26 -5.00 105.19 107.61 2k5p n GLY 41 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.37 0.33 1.61 2.12 -1.14 -5.06 118.70 117.93 2k5p s GLU 42 Ca 0.00 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 2k5p s GLU 42 Cb 0.00 -1.22 -0.10 0.00 0.26 0.00 0.00 34.13 33.07 2k5p s GLU 42 CO 0.00 -0.04 1.33 0.54 -0.54 0.00 0.00 175.26 176.55 2k5p s VAL 43 N 0.87 2.67 0.15 3.70 0.11 -1.26 -0.10 120.40 126.54 2k5p s VAL 43 Ca -0.11 0.66 -0.10 0.00 -2.93 0.00 0.00 61.98 59.50 2k5p s VAL 43 Cb -0.15 -3.42 -0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2k5p s VAL 43 CO 0.01 0.15 0.47 -0.76 -3.33 0.00 0.00 175.10 171.65 2k5p s LEU 44 N -1.69 4.28 0.47 2.54 1.02 -0.22 -4.89 118.68 120.20 2k5p s LEU 44 Ca 0.50 0.87 -0.21 0.00 0.02 0.00 0.00 54.13 55.31 2k5p s LEU 44 Cb -0.40 -3.30 -0.09 0.00 0.02 0.00 0.00 46.19 42.42 2k5p s LEU 44 CO 0.53 0.07 1.02 -0.70 0.02 0.00 0.00 176.35 177.29 2k5p s GLU 45 N -2.28 3.90 0.15 1.70 2.56 -1.26 -4.79 118.70 118.67 2k5p s GLU 45 Ca 0.39 1.33 -0.25 0.00 0.00 0.00 0.00 54.97 56.44 2k5p s GLU 45 Cb -0.13 -2.13 0.02 0.00 2.00 0.00 0.00 34.13 33.88 2k5p s GLU 45 CO 0.20 -0.34 1.59 0.00 -0.56 0.00 0.00 175.26 176.15 2k5p h ARG 46 N 1.68 -0.31 -0.97 4.30 3.08 -1.94 0.34 114.38 120.55 2k5p h ARG 46 Ca -0.49 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 2k5p h ARG 46 Cb 1.21 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2k5p h ARG 46 CO 0.60 -0.21 0.03 -1.91 -1.07 0.00 0.00 179.97 177.40 2k5p n GLU 47 N -5.42 1.29 -0.02 0.04 2.13 -1.26 -3.09 120.64 114.31 2k5p n GLU 47 Ca -0.01 -0.31 0.03 0.00 0.66 0.00 0.00 57.16 57.53 2k5p n GLU 47 Cb 0.35 -1.40 0.03 0.00 0.27 0.00 0.00 31.44 30.69 2k5p n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k5p n ALA 48 N 0.17 2.41 0.20 4.31 0.00 0.11 -4.69 120.51 123.02 2k5p n ALA 48 Ca 0.04 -0.64 0.04 0.00 0.00 0.00 0.00 53.44 52.88 2k5p n ALA 48 Cb 0.45 -0.18 0.45 0.00 0.00 0.00 0.00 19.45 20.17 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 0.99 0.03 0.05 0.00 0.04 -1.60 -2.31 116.94 114.14 2k5p h PHE 49 Ca 0.00 -0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.50 2k5p h PHE 49 Cb 0.29 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2k5p h PHE 49 CO 0.02 0.26 -1.32 -0.44 -0.60 0.00 0.00 178.31 176.22 2k5p h ASP 50 N 0.03 0.18 -0.94 2.17 3.32 -1.87 0.87 116.42 120.18 2k5p h ASP 50 Ca 0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2k5p h ASP 50 Cb 0.41 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 2k5p h ASP 50 CO 0.03 1.19 0.59 0.00 -1.72 0.00 0.00 179.24 179.33 2k5p h ALA 51 N 0.78 1.20 -2.73 3.45 0.00 -1.72 -3.41 119.26 116.83 2k5p h ALA 51 Ca -0.15 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.04 2k5p h ALA 51 Cb 1.92 -0.38 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 2k5p h ALA 51 CO 0.14 0.63 -0.25 0.99 0.00 0.00 0.00 179.25 180.77 2k5p s THR 52 N -6.02 5.18 -0.33 0.00 2.01 -0.94 -5.06 115.64 110.49 2k5p s THR 52 Ca -0.13 0.55 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 2k5p s THR 52 Cb 0.17 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2k5p s THR 52 CO 0.82 0.16 0.39 -0.89 -0.69 0.00 0.00 174.62 174.41 2k5p s THR 53 N 2.06 5.14 0.32 -0.82 2.01 -1.26 -2.20 115.64 120.88 2k5p s THR 53 Ca 0.15 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 2k5p s THR 53 Cb -0.16 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 2k5p s THR 53 CO 0.10 -0.05 1.08 -0.69 -0.69 0.00 0.00 174.62 174.37 2k5p s VAL 54 N 2.11 3.56 0.20 3.82 1.01 0.25 -4.84 120.40 126.51 2k5p s VAL 54 Ca 0.14 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.58 2k5p s VAL 54 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2k5p s VAL 54 CO 0.12 0.24 0.21 2.29 0.00 0.00 0.00 175.10 177.96 2k5p n LYS 55 N 0.76 0.31 -1.93 2.72 2.85 -1.26 -1.04 118.16 120.55 2k5p n LYS 55 Ca 0.01 -1.90 -0.40 0.00 -1.05 0.00 0.00 58.31 54.97 2k5p n LYS 55 Cb 0.46 1.64 -0.03 0.00 -0.65 0.00 0.00 35.03 36.46 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 -2.37 5.40 0.00 -5.58 2.15 -1.24 -3.41 116.67 111.62 2k5p s ASP 56 Ca 0.22 0.90 0.00 0.00 0.43 0.00 0.00 52.55 54.10 2k5p s ASP 56 Cb 0.01 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2k5p s ASP 56 CO 0.16 -2.17 0.00 0.61 -0.17 0.00 0.00 175.17 173.60 2k5p n GLY 57 N 5.64 1.78 3.52 2.66 0.00 0.12 -4.86 105.19 114.05 2k5p n GLY 57 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 4.42 -0.51 1.61 1.11 -1.22 -4.95 116.67 115.13 2k5p s ASP 58 Ca 0.00 -0.11 -0.18 0.00 0.18 0.00 0.00 52.55 52.44 2k5p s ASP 58 Cb 0.00 -1.18 0.07 0.00 1.07 0.00 0.00 42.92 42.88 2k5p s ASP 58 CO 0.00 0.32 0.58 0.00 1.18 0.00 0.00 175.17 177.26 2k5p s ALA 59 N -0.57 3.43 -0.49 5.23 0.00 -1.26 -0.96 121.76 127.15 2k5p s ALA 59 Ca 0.08 -1.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.07 2k5p s ALA 59 Cb -0.12 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.82 2k5p s ALA 59 CO 0.02 -2.00 0.34 0.14 0.00 0.00 0.00 175.76 174.26 2k5p s VAL 60 N 2.40 3.95 -0.66 0.00 -7.23 0.15 -0.66 120.40 118.34 2k5p s VAL 60 Ca 0.12 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 57.98 2k5p s VAL 60 Cb -0.21 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.11 2k5p s VAL 60 CO 0.10 -0.78 1.69 -1.61 -0.31 0.00 0.00 175.10 174.19 2k5p s GLU 61 N 1.07 2.80 0.22 4.82 0.41 -1.22 -4.05 118.70 122.75 2k5p s GLU 61 Ca 0.08 0.30 -0.21 0.00 -0.41 0.00 0.00 54.97 54.74 2k5p s GLU 61 Cb -0.24 -4.36 -0.08 0.00 -1.78 0.00 0.00 34.13 27.67 2k5p s GLU 61 CO -0.02 -2.58 0.75 -0.06 -0.49 0.00 0.00 175.26 172.86 2k5p s PHE 62 N 8.08 3.70 -0.19 1.61 0.40 -1.26 -4.32 117.98 125.99 2k5p s PHE 62 Ca 0.57 1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 58.32 2k5p s PHE 62 Cb -0.11 -2.67 0.10 0.00 0.51 0.00 0.00 43.02 40.85 2k5p s PHE 62 CO 0.18 0.36 0.31 -0.48 0.70 0.00 0.00 175.22 176.29 2k5p s LEU 63 N -1.84 -0.40 -1.63 -0.37 2.34 -1.26 -3.97 118.68 111.55 2k5p s LEU 63 Ca 0.42 0.34 0.00 0.00 0.06 0.00 0.00 54.13 54.95 2k5p s LEU 63 Cb -0.18 0.84 0.00 0.00 -0.56 0.00 0.00 46.19 46.29 2k5p s LEU 63 CO 0.22 -0.28 0.00 -1.22 -1.06 0.00 0.00 176.35 174.01 2k5p n TYR 64 N 5.35 -0.18 -4.04 3.48 4.01 -1.26 -4.99 117.16 119.53 2k5p n TYR 64 Ca -0.06 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.34 2k5p n TYR 64 Cb 0.50 -2.92 -0.14 0.00 -0.31 0.00 0.00 39.34 36.46 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 -2.65 2.92 0.15 -0.72 0.08 -1.26 -5.10 117.98 111.40 2k5p s PHE 65 Ca 0.00 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.12 2k5p s PHE 65 Cb 0.00 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2k5p s PHE 65 CO 0.00 -0.53 0.11 -1.33 -0.10 0.00 0.00 175.22 173.38 2k5p n MET 66 N 4.61 0.26 0.00 0.44 2.81 -1.26 -5.08 117.12 118.89 2k5p n MET 66 Ca -0.18 -1.45 0.00 0.00 -1.81 0.00 0.00 57.70 54.26 2k5p n MET 66 Cb 0.51 1.13 0.00 0.00 -0.71 0.00 0.00 33.22 34.15 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 -0.10 0.00 7.00 3.03 0.00 -1.26 -3.97 105.19 109.88 2k5p n GLY 67 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.36 4.81 -0.02 0.00 -1.26 -4.75 105.19 105.32 2k5p n GLY 68 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.57 1.72 -0.02 0.00 -1.26 -4.81 105.19 102.38 2k5p n GLY 69 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2k5p n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5p n LYS 70 N 0.00 -3.29 -2.40 1.61 5.02 -1.26 -4.85 118.16 112.99 2k5p n LYS 70 Ca 0.00 2.56 -0.39 0.00 -2.02 0.00 0.00 58.31 58.46 2k5p n LYS 70 Cb 0.00 -2.96 -0.03 0.00 -0.02 0.00 0.00 35.03 32.02 2k5p n LYS 70 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k5p s LEU 71 N -0.35 3.26 -0.34 -0.35 2.96 -1.26 -4.98 118.68 117.62 2k5p s LEU 71 Ca 0.00 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.09 2k5p s LEU 71 Cb 0.00 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.15 2k5p s LEU 71 CO 0.00 -1.96 1.06 -1.61 -1.32 0.00 0.00 176.35 172.52 2k5p s GLU 72 N 5.96 4.01 -0.27 1.98 0.41 -1.26 -4.99 118.70 124.53 2k5p s GLU 72 Ca 0.47 0.97 -0.01 0.00 -0.41 0.00 0.00 54.97 56.00 2k5p s GLU 72 Cb -0.07 -3.76 0.14 0.00 -1.78 0.00 0.00 34.13 28.66 2k5p s GLU 72 CO 0.09 -0.95 0.32 -1.58 -0.49 0.00 0.00 175.26 172.64 2k5p s HIS 73 N 3.71 -0.58 0.25 1.61 2.46 -1.26 -5.15 115.29 116.33 2k5p s HIS 73 Ca 0.45 0.07 -0.16 0.00 0.47 0.00 0.00 55.06 55.89 2k5p s HIS 73 Cb -0.12 -0.34 -0.08 0.00 -0.13 0.00 0.00 32.58 31.91 2k5p s HIS 73 CO 0.17 -0.87 0.68 -1.58 -2.47 0.00 0.00 174.74 170.67 2k5p s HIS 74 N 2.41 3.52 -0.11 3.88 2.46 -1.26 -5.07 115.29 121.11 2k5p s HIS 74 Ca 0.10 1.22 -0.17 0.00 0.47 0.00 0.00 55.06 56.67 2k5p s HIS 74 Cb -0.14 -2.51 -0.04 0.00 -0.13 0.00 0.00 32.58 29.75 2k5p s HIS 74 CO -0.28 0.25 0.45 -1.01 -2.47 0.00 0.00 174.74 171.68 2k5p s HIS 75 N -1.72 3.52 0.13 3.88 3.76 -1.26 -4.99 115.29 118.61 2k5p s HIS 75 Ca 0.47 0.86 -0.13 0.00 -0.15 0.00 0.00 55.06 56.11 2k5p s HIS 75 Cb -0.13 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 2k5p s HIS 75 CO 0.19 0.21 1.50 1.25 -0.85 0.00 0.00 174.74 177.04 2k5p h HIS 76 N 6.56 0.96 -3.25 1.40 2.76 -2.09 -3.45 115.15 118.04 2k5p h HIS 76 Ca -0.42 -0.24 -0.37 0.00 -2.20 0.00 0.00 60.37 57.14 2k5p h HIS 76 Cb 1.18 -0.22 -0.15 0.00 1.55 0.00 0.00 27.41 29.77 2k5p h HIS 76 CO 0.62 1.01 -0.72 -1.01 -1.30 0.00 0.00 177.93 176.53 2k5p s HIS 77 N -4.60 1.41 -1.82 5.26 3.76 -1.26 -5.38 115.29 112.66 2k5p s HIS 77 Ca -0.12 -0.68 0.15 0.00 -0.15 0.00 0.00 55.06 54.25 2k5p s HIS 77 Cb 0.10 -0.70 0.12 0.00 1.11 0.00 0.00 32.58 33.21 2k5p s HIS 77 CO 0.84 0.17 0.96 0.72 -0.85 0.00 0.00 174.74 176.58