#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 5.86 -0.12 3.17 0.01 -1.26 -0.83 114.94 121.77 2k5p s ASN 2 Ca 0.00 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.63 2k5p s ASN 2 Cb 0.00 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.58 2k5p s ASN 2 CO 0.00 -0.25 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.37 2k5p s LEU 3 N 1.67 2.22 -0.78 0.60 1.43 0.92 -3.30 118.68 121.44 2k5p s LEU 3 Ca 0.05 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 2k5p s LEU 3 Cb -0.18 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.63 2k5p s LEU 3 CO 0.09 0.12 1.23 -0.89 0.23 0.00 0.00 176.35 177.13 2k5p s THR 4 N 0.56 3.95 -0.44 5.49 2.01 -1.15 -0.28 115.64 125.78 2k5p s THR 4 Ca -0.12 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2k5p s THR 4 Cb -0.17 -4.88 0.02 0.00 0.01 0.00 0.00 72.50 67.49 2k5p s THR 4 CO 0.04 -1.76 0.89 -0.69 -0.69 0.00 0.00 174.62 172.41 2k5p s VAL 5 N 5.05 4.53 -1.76 3.82 1.01 0.86 -2.11 120.40 131.79 2k5p s VAL 5 Ca 0.34 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2k5p s VAL 5 Cb -0.08 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2k5p s VAL 5 CO 0.08 -0.75 0.00 0.59 0.00 0.00 0.00 175.10 175.02 2k5p n ASN 6 N 6.99 -5.18 0.00 3.32 3.02 -1.20 -0.95 115.26 121.27 2k5p n ASN 6 Ca 0.05 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2k5p n ASN 6 Cb 0.48 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 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 -0.69 0.60 3.47 7.41 0.00 -1.25 -5.06 105.19 109.66 2k5p n GLY 7 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.95 3.32 -0.10 1.61 3.01 -0.13 -5.04 119.74 121.47 2k5p s LYS 8 Ca 0.00 -0.75 -0.29 0.00 -1.01 0.00 0.00 55.97 53.92 2k5p s LYS 8 Cb 0.00 -3.70 -0.06 0.00 -1.01 0.00 0.00 37.83 33.06 2k5p s LYS 8 CO 0.00 -0.48 1.90 -2.14 0.51 0.00 0.00 175.35 175.15 2k5p s PRO 9 N 1.65 3.82 0.25 -1.68 0.02 -1.26 -0.10 135.00 137.70 2k5p s PRO 9 Ca 0.05 2.19 0.10 0.00 0.02 0.00 0.00 61.00 63.36 2k5p s PRO 9 Cb -0.18 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 2k5p s PRO 9 CO 0.08 -1.30 -0.04 0.45 -0.33 0.00 0.00 177.00 175.86 2k5p s SER 10 N 5.17 4.39 -0.23 2.53 0.15 0.61 -4.90 113.70 121.41 2k5p s SER 10 Ca 0.85 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2k5p s SER 10 Cb -0.35 -0.76 0.06 0.00 -1.71 0.00 0.00 66.02 63.26 2k5p s SER 10 CO 0.35 0.03 -0.05 -0.89 1.20 0.00 0.00 173.24 173.88 2k5p s THR 11 N -2.21 1.45 -0.52 6.45 2.01 -1.26 -0.05 115.64 121.51 2k5p s THR 11 Ca 0.30 -1.15 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 2k5p s THR 11 Cb -0.07 -1.73 0.10 0.00 0.01 0.00 0.00 72.50 70.82 2k5p s THR 11 CO 0.18 -0.09 0.51 0.68 -0.69 0.00 0.00 174.62 175.20 2k5p s VAL 12 N 1.43 5.14 0.17 3.82 -7.23 -0.01 -4.96 120.40 118.76 2k5p s VAL 12 Ca -0.05 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 2k5p s VAL 12 Cb -0.19 -4.29 -0.07 0.00 0.56 0.00 0.00 36.38 32.39 2k5p s VAL 12 CO -0.06 -0.81 1.02 -0.62 -0.31 0.00 0.00 175.10 174.31 2k5p s ASP 13 N 3.22 7.43 0.00 4.85 2.15 -1.26 0.52 116.67 133.57 2k5p s ASP 13 Ca 0.05 1.95 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2k5p s ASP 13 Cb -0.27 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 2k5p s ASP 13 CO 0.05 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 2k5p n GLY 14 N 2.00 0.72 3.29 2.66 0.00 -1.26 -4.90 105.19 107.70 2k5p n GLY 14 Ca 0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 3.50 -0.77 4.61 0.00 -1.22 -4.98 121.76 120.90 2k5p s ALA 15 Ca 0.00 -2.40 -0.07 0.00 0.00 0.00 0.00 51.96 49.49 2k5p s ALA 15 Cb 0.00 -3.01 0.20 0.00 0.00 0.00 0.00 23.12 20.31 2k5p s ALA 15 CO 0.00 -1.87 0.65 -2.00 0.00 0.00 0.00 175.76 172.54 2k5p s GLU 16 N 1.51 3.16 -0.13 0.00 2.12 -1.26 -3.37 118.70 120.73 2k5p s GLU 16 Ca 0.04 -2.67 -0.01 0.00 0.36 0.00 0.00 54.97 52.69 2k5p s GLU 16 Cb -0.27 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.05 2k5p s GLU 16 CO 0.02 -1.23 0.02 0.43 -0.54 0.00 0.00 175.26 173.96 2k5p n SER 17 N 3.43 -6.66 -4.24 -1.70 7.64 -1.26 -5.04 113.62 105.79 2k5p n SER 17 Ca 0.13 0.94 -0.19 0.00 1.01 0.00 0.00 58.87 60.76 2k5p n SER 17 Cb 0.41 -3.33 -0.11 0.00 -1.01 0.00 0.00 64.21 60.17 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 -1.10 2.38 0.75 -3.43 0.05 -1.05 -4.93 118.68 111.35 2k5p s LEU 18 Ca -0.03 -0.78 -0.11 0.00 0.05 0.00 0.00 54.13 53.26 2k5p s LEU 18 Cb 0.00 -0.58 0.04 0.00 -2.05 0.00 0.00 46.19 43.60 2k5p s LEU 18 CO 0.37 -0.12 1.08 0.20 -0.55 0.00 0.00 176.35 177.33 2k5p s ASN 19 N -2.35 4.79 0.36 1.48 0.01 -1.26 0.74 114.94 118.71 2k5p s ASN 19 Ca 0.08 1.67 0.07 0.00 -0.71 0.00 0.00 52.86 53.97 2k5p s ASN 19 Cb -0.06 -2.45 0.76 0.00 0.41 0.00 0.00 41.25 39.91 2k5p s ASN 19 CO 0.03 -1.83 1.93 0.58 -1.51 0.00 0.00 177.10 176.30 2k5p h VAL 20 N -0.99 0.96 -0.01 1.60 2.07 0.58 0.17 116.25 120.63 2k5p h VAL 20 Ca -0.44 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2k5p h VAL 20 Cb 1.23 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2k5p h VAL 20 CO 0.54 0.14 -0.14 0.74 0.02 0.00 0.00 177.57 178.87 2k5p h THR 21 N 0.75 0.65 -0.34 2.57 2.02 -1.72 -1.73 112.91 115.11 2k5p h THR 21 Ca 0.36 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.49 2k5p h THR 21 Cb 0.42 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2k5p h THR 21 CO -0.14 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 175.43 2k5p h GLU 22 N -0.23 0.52 -0.52 6.66 5.08 -1.49 -2.53 114.58 122.07 2k5p h GLU 22 Ca 0.05 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2k5p h GLU 22 Cb 0.30 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2k5p h GLU 22 CO -0.15 0.55 0.24 1.25 -1.00 0.00 0.00 179.01 179.90 2k5p h LEU 23 N 0.51 0.31 -1.71 1.33 6.46 -0.29 -0.72 115.31 121.19 2k5p h LEU 23 Ca 0.11 0.04 0.10 0.00 -0.12 0.00 0.00 57.88 58.01 2k5p h LEU 23 Cb 0.32 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2k5p h LEU 23 CO 0.01 0.21 0.38 -0.07 -0.62 0.00 0.00 178.44 178.35 2k5p h LEU 24 N 0.45 0.29 -0.11 2.25 3.38 -0.88 0.67 115.31 121.37 2k5p h LEU 24 Ca 0.24 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 2k5p h LEU 24 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k5p h LEU 24 CO -0.20 0.18 -1.00 -1.28 0.09 0.00 0.00 178.44 176.23 2k5p h SER 25 N 0.33 0.25 -0.12 -0.43 0.87 -1.18 0.01 113.55 113.28 2k5p h SER 25 Ca 0.26 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2k5p h SER 25 Cb 0.59 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2k5p h SER 25 CO -0.06 1.10 -0.17 0.00 -0.53 0.00 0.00 176.83 177.17 2k5p h ALA 26 N 0.87 0.19 -0.01 6.23 0.00 0.17 -3.18 119.26 123.53 2k5p h ALA 26 Ca -0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2k5p h ALA 26 Cb 1.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2k5p h ALA 26 CO 0.15 0.10 -0.58 1.25 0.00 0.00 0.00 179.25 180.17 2k5p h LEU 27 N -0.08 0.04 -2.54 0.00 5.85 -1.02 -3.49 115.31 114.07 2k5p h LEU 27 Ca 0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k5p h LEU 27 Cb 0.73 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2k5p h LEU 27 CO 0.04 0.61 -0.49 0.29 -0.34 0.00 0.00 178.44 178.55 2k5p n LYS 28 N -3.86 -1.81 -3.99 1.25 5.02 -0.02 -4.99 118.16 109.76 2k5p n LYS 28 Ca -0.01 1.70 -0.10 0.00 -2.02 0.00 0.00 58.31 57.87 2k5p n LYS 28 Cb 0.58 -3.54 -0.12 0.00 -0.02 0.00 0.00 35.03 31.93 2k5p n LYS 28 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k5p s VAL 29 N -1.14 0.19 0.83 -0.18 0.11 -1.16 -4.89 120.40 114.14 2k5p s VAL 29 Ca 0.03 -0.82 -0.12 0.00 -2.93 0.00 0.00 61.98 58.15 2k5p s VAL 29 Cb -0.01 -0.30 0.10 0.00 -1.53 0.00 0.00 36.38 34.64 2k5p s VAL 29 CO 0.44 -0.40 1.18 0.00 -3.33 0.00 0.00 175.10 172.99 2k5p s ALA 30 N -1.23 2.66 -1.45 1.54 0.00 -1.26 -4.31 121.76 117.71 2k5p s ALA 30 Ca -0.12 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 2k5p s ALA 30 Cb -0.09 -2.85 0.04 0.00 0.00 0.00 0.00 23.12 20.22 2k5p s ALA 30 CO -0.01 -1.78 1.00 1.04 0.00 0.00 0.00 175.76 176.02 2k5p n GLN 31 N -3.35 -6.50 0.03 0.00 6.02 -1.26 -4.85 117.38 107.47 2k5p n GLN 31 Ca 0.10 0.75 0.06 0.00 -0.01 0.00 0.00 57.00 57.89 2k5p n GLN 31 Cb 0.61 -5.71 0.47 0.00 1.02 0.00 0.00 30.24 26.63 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 1.00 1.81 0.00 -1.58 0.00 -1.98 0.11 119.26 118.62 2k5p h ALA 32 Ca -0.56 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k5p h ALA 32 Cb 1.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k5p h ALA 32 CO 0.60 0.16 0.00 0.39 0.00 0.00 0.00 179.25 180.40 2k5p n GLU 33 N -4.48 0.13 0.00 0.00 -0.58 -1.26 -3.33 120.64 111.12 2k5p n GLU 33 Ca 0.03 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2k5p n GLU 33 Cb 0.11 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.03 0.00 -2.26 -0.32 4.01 0.23 -4.95 117.16 111.84 2k5p n TYR 34 Ca 0.02 -0.14 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 2k5p n TYR 34 Cb 0.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.28 3.45 -0.62 -0.72 0.11 -0.27 -4.99 120.40 117.09 2k5p s VAL 35 Ca 0.00 1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.97 2k5p s VAL 35 Cb 0.00 -3.71 0.11 0.00 -1.53 0.00 0.00 36.38 31.26 2k5p s VAL 35 CO 0.00 0.12 0.71 -0.89 -3.33 0.00 0.00 175.10 171.72 2k5p s THR 36 N 0.63 4.90 0.18 5.04 2.01 -1.26 -5.03 115.64 122.10 2k5p s THR 36 Ca 0.59 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 61.46 2k5p s THR 36 Cb -0.35 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 2k5p s THR 36 CO 0.33 -1.12 -0.03 0.68 -0.69 0.00 0.00 174.62 173.79 2k5p s VAL 37 N 2.44 0.89 0.05 3.82 -7.23 -1.26 -4.47 120.40 114.64 2k5p s VAL 37 Ca 0.12 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 2k5p s VAL 37 Cb -0.23 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.68 2k5p s VAL 37 CO 0.04 -0.53 0.49 -1.83 -0.31 0.00 0.00 175.10 172.96 2k5p s GLU 38 N -3.86 1.00 -0.03 4.82 -1.05 -1.24 -3.90 118.70 114.44 2k5p s GLU 38 Ca 0.22 -0.27 0.06 0.00 -0.15 0.00 0.00 54.97 54.83 2k5p s GLU 38 Cb 0.05 0.45 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 2k5p s GLU 38 CO 0.04 -0.36 -0.21 -0.48 0.95 0.00 0.00 175.26 175.20 2k5p s LEU 39 N -1.98 2.02 -1.30 1.83 0.05 -0.84 -0.51 118.68 117.95 2k5p s LEU 39 Ca -0.05 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 53.72 2k5p s LEU 39 Cb -0.01 -1.14 0.00 0.00 -2.05 0.00 0.00 46.19 42.99 2k5p s LEU 39 CO -0.02 0.24 0.00 0.59 -0.55 0.00 0.00 176.35 176.61 2k5p n ASN 40 N 2.76 -5.49 0.00 1.48 3.02 0.16 -0.89 115.26 116.30 2k5p n ASN 40 Ca -0.16 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2k5p n ASN 40 Cb 0.52 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 0.15 0.78 3.06 7.41 0.00 -1.26 -5.02 105.19 110.31 2k5p n GLY 41 Ca -0.12 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.70 2.55 0.09 1.61 2.12 -0.07 -5.12 118.70 119.17 2k5p s GLU 42 Ca 0.00 -0.79 -0.27 0.00 0.36 0.00 0.00 54.97 54.27 2k5p s GLU 42 Cb 0.00 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.91 2k5p s GLU 42 CO 0.00 -0.28 0.85 0.54 -0.54 0.00 0.00 175.26 175.83 2k5p s VAL 43 N 1.36 4.59 0.11 3.70 0.11 -1.26 -1.99 120.40 127.01 2k5p s VAL 43 Ca 0.03 1.82 0.06 0.00 -2.93 0.00 0.00 61.98 60.96 2k5p s VAL 43 Cb -0.14 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 2k5p s VAL 43 CO -0.11 0.36 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.25 2k5p s LEU 44 N -0.15 3.38 0.83 2.54 2.01 -1.25 -5.04 118.68 121.01 2k5p s LEU 44 Ca 0.42 -0.24 -0.11 0.00 0.01 0.00 0.00 54.13 54.21 2k5p s LEU 44 Cb -0.22 -2.11 0.09 0.00 0.01 0.00 0.00 46.19 43.96 2k5p s LEU 44 CO 0.26 0.16 1.09 -1.61 1.01 0.00 0.00 176.35 177.27 2k5p s GLU 45 N -2.40 1.77 0.28 1.70 8.01 -1.26 -4.82 118.70 121.98 2k5p s GLU 45 Ca 0.25 1.03 -0.01 0.00 0.01 0.00 0.00 54.97 56.26 2k5p s GLU 45 Cb -0.11 -1.85 0.48 0.00 -4.31 0.00 0.00 34.13 28.33 2k5p s GLU 45 CO 0.18 -1.95 1.89 0.00 0.01 0.00 0.00 175.26 175.39 2k5p h ARG 46 N -1.34 1.07 -0.13 1.61 -0.00 -1.96 0.42 114.38 114.05 2k5p h ARG 46 Ca -0.46 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.98 58.78 2k5p h ARG 46 Cb 1.25 -0.24 -0.00 0.00 0.00 0.00 0.00 29.97 30.98 2k5p h ARG 46 CO 0.52 0.71 -0.66 1.05 0.00 0.00 0.00 179.97 181.59 2k5p h GLU 47 N 1.10 0.50 0.00 0.04 4.11 -1.99 -3.08 114.58 115.25 2k5p h GLU 47 Ca 0.42 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2k5p h GLU 47 Cb 0.22 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k5p h GLU 47 CO -0.17 0.99 -0.05 0.00 0.07 0.00 0.00 179.01 179.84 2k5p h ALA 48 N 0.92 1.15 -0.96 1.06 0.00 -1.49 -1.93 119.26 118.00 2k5p h ALA 48 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2k5p h ALA 48 Cb 1.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2k5p h ALA 48 CO 0.12 0.07 0.62 0.74 0.00 0.00 0.00 179.25 180.80 2k5p h PHE 49 N 0.00 1.14 0.12 0.00 0.04 -0.89 0.11 116.94 117.46 2k5p h PHE 49 Ca -0.00 0.03 -0.30 0.00 2.80 0.00 0.00 57.97 60.50 2k5p h PHE 49 Cb 0.27 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 2k5p h PHE 49 CO 0.00 0.60 -1.47 0.22 -0.60 0.00 0.00 178.31 177.07 2k5p h ASP 50 N 1.12 0.39 0.44 2.17 3.58 -1.52 0.40 116.42 123.00 2k5p h ASP 50 Ca 0.41 -0.51 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2k5p h ASP 50 Cb 0.16 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2k5p h ASP 50 CO -0.15 1.42 -0.10 0.00 -2.88 0.00 0.00 179.24 177.53 2k5p h ALA 51 N 0.52 1.20 -2.86 -0.78 0.00 -1.13 -3.41 119.26 112.80 2k5p h ALA 51 Ca -0.22 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.93 2k5p h ALA 51 Cb 2.01 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 19.56 2k5p h ALA 51 CO 0.17 0.12 -0.55 0.99 0.00 0.00 0.00 179.25 179.98 2k5p s THR 52 N -4.09 4.69 -0.43 0.00 2.01 0.37 -5.06 115.64 113.12 2k5p s THR 52 Ca -0.02 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 2k5p s THR 52 Cb 0.12 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.27 2k5p s THR 52 CO 0.56 0.07 0.52 -0.89 -0.69 0.00 0.00 174.62 174.19 2k5p s THR 53 N 1.63 4.98 0.36 -0.82 2.01 -1.26 -1.80 115.64 120.75 2k5p s THR 53 Ca 0.05 -0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.63 2k5p s THR 53 Cb -0.17 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 2k5p s THR 53 CO 0.07 -0.49 1.16 -0.69 -0.69 0.00 0.00 174.62 173.98 2k5p s VAL 54 N 2.41 3.24 0.00 3.82 1.01 0.23 -4.85 120.40 126.25 2k5p s VAL 54 Ca 0.16 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.25 2k5p s VAL 54 Cb -0.16 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2k5p s VAL 54 CO 0.16 0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.71 2k5p n LYS 55 N 0.43 1.28 -0.59 2.72 5.02 -1.26 -2.52 118.16 123.24 2k5p n LYS 55 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 2k5p n LYS 55 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.43 2k5p n LYS 55 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k5p n ASP 56 N -1.43 5.05 0.00 4.39 -0.08 -1.26 -3.81 116.55 119.41 2k5p n ASP 56 Ca 0.00 -2.36 0.00 0.00 -1.51 0.00 0.00 54.79 50.92 2k5p n ASP 56 Cb 0.00 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.32 2k5p n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k5p n GLY 57 N 1.78 -0.52 3.02 0.27 0.00 -1.21 -4.55 105.19 103.98 2k5p n GLY 57 Ca 0.10 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 2.39 -1.18 1.61 1.01 -1.25 -5.03 116.67 114.22 2k5p s ASP 58 Ca 0.00 -0.41 -0.21 0.00 0.71 0.00 0.00 52.55 52.65 2k5p s ASP 58 Cb 0.00 -1.04 0.02 0.00 1.01 0.00 0.00 42.92 42.91 2k5p s ASP 58 CO 0.00 -0.02 1.74 0.00 0.21 0.00 0.00 175.17 177.10 2k5p s ALA 59 N 1.19 2.71 -0.59 5.23 0.00 -1.26 -2.93 121.76 126.12 2k5p s ALA 59 Ca -0.03 -2.49 -0.26 0.00 0.00 0.00 0.00 51.96 49.18 2k5p s ALA 59 Cb -0.14 -4.62 0.04 0.00 0.00 0.00 0.00 23.12 18.39 2k5p s ALA 59 CO -0.04 -3.93 1.07 0.54 0.00 0.00 0.00 175.76 173.40 2k5p s VAL 60 N 6.42 4.18 -0.67 0.00 0.11 -0.90 -0.66 120.40 128.88 2k5p s VAL 60 Ca 0.57 0.48 -0.24 0.00 -2.93 0.00 0.00 61.98 59.86 2k5p s VAL 60 Cb 0.01 -4.66 0.06 0.00 -1.53 0.00 0.00 36.38 30.26 2k5p s VAL 60 CO 0.05 -1.30 1.04 -1.61 -3.33 0.00 0.00 175.10 169.95 2k5p s GLU 61 N 4.51 3.15 -0.39 1.54 2.02 0.34 -3.21 118.70 126.67 2k5p s GLU 61 Ca 0.35 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.58 2k5p s GLU 61 Cb -0.10 -4.20 0.02 0.00 0.10 0.00 0.00 34.13 29.94 2k5p s GLU 61 CO 0.20 -1.87 0.26 0.12 0.02 0.00 0.00 175.26 173.99 2k5p s PHE 62 N 4.48 3.24 0.06 1.61 5.36 -1.26 -3.66 117.98 127.80 2k5p s PHE 62 Ca 0.26 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.57 2k5p s PHE 62 Cb -0.14 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 2k5p s PHE 62 CO 0.12 -0.58 -0.06 -0.48 -1.46 0.00 0.00 175.22 172.77 2k5p s LEU 63 N 1.64 2.38 0.00 6.12 2.34 -1.26 -4.84 118.68 125.06 2k5p s LEU 63 Ca 0.04 -0.77 0.00 0.00 0.06 0.00 0.00 54.13 53.46 2k5p s LEU 63 Cb -0.19 -0.01 0.00 0.00 -0.56 0.00 0.00 46.19 45.43 2k5p s LEU 63 CO 0.09 -0.38 0.00 -1.22 -1.06 0.00 0.00 176.35 173.77 2k5p n TYR 64 N 0.76 0.00 -1.93 3.48 4.01 -1.26 -4.77 117.16 117.44 2k5p n TYR 64 Ca -0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.61 2k5p n TYR 64 Cb 0.58 -1.44 0.08 0.00 -0.31 0.00 0.00 39.34 38.25 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 -2.24 0.00 -1.73 -0.72 3.01 -1.26 -5.09 117.46 109.42 2k5p n PHE 65 Ca 0.00 -0.74 -0.41 0.00 1.01 0.00 0.00 57.45 57.31 2k5p n PHE 65 Cb 0.34 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2k5p n PHE 65 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2k5p n MET 66 N -0.34 2.31 0.00 -1.08 2.81 -1.26 -4.89 117.12 114.68 2k5p n MET 66 Ca 0.10 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 2k5p n MET 66 Cb 0.85 -2.50 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 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 0.64 0.06 3.22 3.03 0.00 -1.26 -5.12 105.19 105.76 2k5p n GLY 67 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.36 1.45 2.32 -0.02 0.00 -1.26 -4.95 105.19 103.09 2k5p n GLY 68 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 0.03 3.36 -0.02 0.00 -1.26 -5.00 105.19 102.30 2k5p n GLY 69 Ca 0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2k5p n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5p s LYS 70 N -4.93 3.41 0.80 1.61 1.02 -1.26 -5.11 119.74 115.27 2k5p s LYS 70 Ca 0.11 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.40 2k5p s LYS 70 Cb -0.05 -2.80 0.16 0.00 -0.52 0.00 0.00 37.83 34.62 2k5p s LYS 70 CO 0.13 0.06 1.10 -0.48 -0.92 0.00 0.00 175.35 175.23 2k5p s LEU 71 N 0.79 2.90 -0.12 3.17 0.05 -1.26 -5.13 118.68 119.07 2k5p s LEU 71 Ca -0.03 -0.25 -0.07 0.00 0.05 0.00 0.00 54.13 53.82 2k5p s LEU 71 Cb -0.15 -1.96 0.05 0.00 -2.05 0.00 0.00 46.19 42.08 2k5p s LEU 71 CO 0.01 -2.16 0.29 -0.70 -0.55 0.00 0.00 176.35 173.25 2k5p s GLU 72 N -5.36 0.28 -0.16 1.48 2.12 -1.26 -5.14 118.70 110.66 2k5p s GLU 72 Ca 0.69 0.56 -0.24 0.00 0.36 0.00 0.00 54.97 56.35 2k5p s GLU 72 Cb -0.04 -0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 2k5p s GLU 72 CO 0.47 -0.13 0.75 -1.58 -0.54 0.00 0.00 175.26 174.23 2k5p s HIS 73 N 1.05 3.43 0.01 5.30 5.65 -1.26 -5.01 115.29 124.47 2k5p s HIS 73 Ca -0.07 1.16 -0.31 0.00 0.25 0.00 0.00 55.06 56.09 2k5p s HIS 73 Cb -0.08 -2.92 -0.10 0.00 -1.18 0.00 0.00 32.58 28.30 2k5p s HIS 73 CO -0.08 -0.17 1.93 1.58 -0.65 0.00 0.00 174.74 177.36 2k5p n HIS 74 N 4.94 2.47 -3.02 3.88 -0.00 -1.26 -4.98 115.22 117.25 2k5p n HIS 74 Ca 0.02 -0.24 -0.39 0.00 0.46 0.00 0.00 57.72 57.56 2k5p n HIS 74 Cb 0.49 -2.76 -0.06 0.00 -0.12 0.00 0.00 29.99 27.55 2k5p n HIS 74 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5p s HIS 75 N 4.12 3.88 0.04 1.57 3.76 -1.26 -4.76 115.29 122.64 2k5p s HIS 75 Ca 0.89 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 57.38 2k5p s HIS 75 Cb -0.52 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.45 2k5p s HIS 75 CO 0.44 0.51 0.00 1.58 -0.85 0.00 0.00 174.74 176.42 2k5p n HIS 76 N 1.53 -4.26 -3.66 1.40 -0.00 -1.26 -5.10 115.22 103.86 2k5p n HIS 76 Ca -0.06 2.54 0.00 0.00 -0.00 0.00 0.00 57.72 60.20 2k5p n HIS 76 Cb 0.49 -3.61 0.00 0.00 -0.00 0.00 0.00 29.99 26.87 2k5p n HIS 76 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k5p n HIS 77 N 1.62 0.00 1.32 1.57 1.44 -1.26 -5.29 115.22 114.62 2k5p n HIS 77 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 2k5p n HIS 77 Cb 0.00 0.00 0.38 0.00 0.12 0.00 0.00 29.99 30.49 2k5p n HIS 77 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14