#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 6.01 0.54 3.17 0.01 -1.26 -2.46 114.94 120.95 2k5p s ASN 2 Ca 0.00 -1.27 0.09 0.00 -0.71 0.00 0.00 52.86 50.97 2k5p s ASN 2 Cb 0.00 -2.13 0.07 0.00 0.41 0.00 0.00 41.25 39.60 2k5p s ASN 2 CO 0.00 -0.58 0.73 -0.76 -1.51 0.00 0.00 177.10 174.98 2k5p s LEU 3 N 1.60 3.23 -0.20 0.60 1.43 0.09 -2.70 118.68 122.73 2k5p s LEU 3 Ca 0.04 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2k5p s LEU 3 Cb -0.23 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.18 2k5p s LEU 3 CO 0.06 -1.19 -0.01 -0.89 0.23 0.00 0.00 176.35 174.55 2k5p s THR 4 N -2.59 0.96 -0.27 5.49 2.01 -0.16 -0.05 115.64 121.03 2k5p s THR 4 Ca 0.60 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2k5p s THR 4 Cb -0.07 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 2k5p s THR 4 CO 0.37 -0.12 0.11 0.68 -0.69 0.00 0.00 174.62 174.97 2k5p s VAL 5 N 1.66 4.48 -1.91 3.82 -7.23 0.16 -1.43 120.40 119.95 2k5p s VAL 5 Ca -0.02 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 2k5p s VAL 5 Cb -0.17 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2k5p s VAL 5 CO -0.07 0.23 0.00 0.59 -0.31 0.00 0.00 175.10 175.54 2k5p n ASN 6 N 4.95 -5.30 0.00 4.85 3.02 -1.26 -1.02 115.26 120.51 2k5p n ASN 6 Ca -0.15 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2k5p n ASN 6 Cb 0.51 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -0.75 0.63 3.60 7.41 0.00 -1.26 -5.08 105.19 109.75 2k5p n GLY 7 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.76 2.70 -0.15 1.61 -0.14 -0.19 -5.08 119.74 117.73 2k5p s LYS 8 Ca 0.00 -0.60 -0.29 0.00 -1.36 0.00 0.00 55.97 53.72 2k5p s LYS 8 Cb 0.00 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.55 2k5p s LYS 8 CO 0.00 0.64 1.33 -1.25 -0.76 0.00 0.00 175.35 175.31 2k5p s PRO 9 N -1.06 4.21 -0.23 -1.68 0.04 -1.26 0.35 135.00 135.36 2k5p s PRO 9 Ca 0.14 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.93 2k5p s PRO 9 Cb -0.11 -3.80 0.05 0.00 0.04 0.00 0.00 34.50 30.67 2k5p s PRO 9 CO 0.04 -0.75 -0.13 0.45 0.04 0.00 0.00 177.00 176.65 2k5p s SER 10 N 2.23 3.98 -0.42 6.66 0.15 0.93 -4.91 113.70 122.32 2k5p s SER 10 Ca 0.58 -1.14 -0.18 0.00 0.70 0.00 0.00 55.95 55.90 2k5p s SER 10 Cb -0.23 -1.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2k5p s SER 10 CO 0.17 -0.13 0.50 -0.89 1.20 0.00 0.00 173.24 174.09 2k5p s THR 11 N 1.18 5.01 -0.20 6.45 2.01 -1.26 -0.73 115.64 128.09 2k5p s THR 11 Ca -0.04 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2k5p s THR 11 Cb -0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2k5p s THR 11 CO -0.08 -0.47 0.43 0.68 -0.69 0.00 0.00 174.62 174.50 2k5p s VAL 12 N 2.35 5.17 0.36 3.82 -7.23 -1.03 -5.02 120.40 118.83 2k5p s VAL 12 Ca 0.16 0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 60.84 2k5p s VAL 12 Cb -0.16 -3.76 -0.09 0.00 0.56 0.00 0.00 36.38 32.93 2k5p s VAL 12 CO 0.15 0.22 1.04 -0.62 -0.31 0.00 0.00 175.10 175.59 2k5p s ASP 13 N 1.11 6.94 0.00 4.85 2.15 -1.26 -3.12 116.67 127.35 2k5p s ASP 13 Ca 0.20 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.23 2k5p s ASP 13 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2k5p s ASP 13 CO 0.09 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2k5p n GLY 14 N 0.54 1.67 3.58 2.66 0.00 -1.26 -4.95 105.19 107.43 2k5p n GLY 14 Ca 0.03 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.36 -0.11 4.61 0.00 -1.25 -4.80 120.51 120.31 2k5p n ALA 15 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 2k5p n ALA 15 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 19.45 16.31 2k5p n ALA 15 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k5p n GLU 16 N 8.87 0.53 -3.73 0.00 0.28 -1.26 0.43 120.64 125.76 2k5p n GLU 16 Ca 0.33 0.17 -0.16 0.00 -0.16 0.00 0.00 57.16 57.34 2k5p n GLU 16 Cb 0.49 -1.39 -0.16 0.00 1.43 0.00 0.00 31.44 31.80 2k5p n GLU 16 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k5p s SER 17 N -6.56 0.35 0.18 -1.84 0.01 -1.26 -4.43 113.70 100.15 2k5p s SER 17 Ca -0.31 0.16 -0.24 0.00 1.31 0.00 0.00 55.95 56.87 2k5p s SER 17 Cb 0.10 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.42 2k5p s SER 17 CO 0.47 -0.18 0.90 -1.48 0.41 0.00 0.00 173.24 173.36 2k5p s LEU 18 N 1.53 -0.20 0.26 2.44 0.05 -1.20 -5.06 118.68 116.48 2k5p s LEU 18 Ca -0.04 -0.44 0.06 0.00 0.05 0.00 0.00 54.13 53.76 2k5p s LEU 18 Cb -0.12 2.30 -0.03 0.00 -2.05 0.00 0.00 46.19 46.28 2k5p s LEU 18 CO -0.04 -1.00 0.29 0.54 -0.55 0.00 0.00 176.35 175.58 2k5p s ASN 19 N -2.93 5.88 0.31 1.48 4.22 -1.26 -0.28 114.94 122.36 2k5p s ASN 19 Ca 0.12 -0.12 0.08 0.00 -2.14 0.00 0.00 52.86 50.79 2k5p s ASN 19 Cb -0.02 -1.56 0.85 0.00 1.28 0.00 0.00 41.25 41.79 2k5p s ASN 19 CO 0.03 -0.09 1.71 0.58 -2.04 0.00 0.00 177.10 177.29 2k5p h VAL 20 N 1.30 0.50 -0.70 3.54 2.07 -0.94 0.16 116.25 122.18 2k5p h VAL 20 Ca -0.50 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.00 2k5p h VAL 20 Cb 1.24 -0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 2k5p h VAL 20 CO 0.60 0.09 0.04 0.74 0.02 0.00 0.00 177.57 179.06 2k5p h THR 21 N 0.51 0.43 -0.05 2.57 2.02 -1.75 0.18 112.91 116.82 2k5p h THR 21 Ca 0.63 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.59 2k5p h THR 21 Cb 1.21 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2k5p h THR 21 CO -0.50 0.03 -0.71 -0.33 0.37 0.00 0.00 175.52 174.38 2k5p h GLU 22 N 0.14 0.24 -0.73 6.66 5.08 -1.03 -3.02 114.58 121.92 2k5p h GLU 22 Ca 0.38 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2k5p h GLU 22 Cb 0.65 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2k5p h GLU 22 CO -0.59 0.85 0.37 1.25 -1.00 0.00 0.00 179.01 179.90 2k5p h LEU 23 N 0.17 0.94 -2.07 1.33 7.12 -0.64 -1.83 115.31 120.32 2k5p h LEU 23 Ca -0.02 -0.12 0.08 0.00 0.13 0.00 0.00 57.88 57.95 2k5p h LEU 23 Cb 1.26 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.14 2k5p h LEU 23 CO 0.11 0.79 0.23 -0.07 -0.13 0.00 0.00 178.44 179.37 2k5p h LEU 24 N 1.02 0.00 0.04 2.25 3.38 -0.59 -0.05 115.31 121.36 2k5p h LEU 24 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2k5p h LEU 24 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k5p h LEU 24 CO -0.04 0.00 -0.27 -1.28 0.09 0.00 0.00 178.44 176.95 2k5p h SER 25 N 0.00 0.14 -0.44 -0.43 0.87 -1.38 -1.61 113.55 110.70 2k5p h SER 25 Ca 0.14 -0.98 0.01 0.00 -1.23 0.00 0.00 61.79 59.73 2k5p h SER 25 Cb 0.59 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 2k5p h SER 25 CO -0.00 1.13 0.28 0.00 -0.53 0.00 0.00 176.83 177.70 2k5p h ALA 26 N 0.02 0.56 -0.00 6.23 0.00 -0.81 -2.44 119.26 122.82 2k5p h ALA 26 Ca -0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2k5p h ALA 26 Cb 1.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2k5p h ALA 26 CO 0.04 -0.02 -0.77 1.25 0.00 0.00 0.00 179.25 179.75 2k5p h LEU 27 N 0.56 0.06 -2.55 0.00 6.46 -1.18 -3.49 115.31 115.17 2k5p h LEU 27 Ca 0.17 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2k5p h LEU 27 Cb -0.02 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2k5p h LEU 27 CO -0.06 0.80 -0.51 1.17 -0.62 0.00 0.00 178.44 179.22 2k5p n LYS 28 N -3.65 -1.84 -3.97 1.25 4.81 -0.66 -5.03 118.16 109.07 2k5p n LYS 28 Ca -0.01 1.71 -0.31 0.00 -0.87 0.00 0.00 58.31 58.83 2k5p n LYS 28 Cb 0.74 -3.41 -0.05 0.00 0.02 0.00 0.00 35.03 32.33 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 -0.98 5.06 -0.13 3.15 0.11 -0.88 -4.91 120.40 121.81 2k5p s VAL 29 Ca 0.01 -0.51 -0.22 0.00 -2.93 0.00 0.00 61.98 58.33 2k5p s VAL 29 Cb -0.00 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 2k5p s VAL 29 CO 0.42 0.16 0.68 0.00 -3.33 0.00 0.00 175.10 173.03 2k5p s ALA 30 N -1.44 3.44 -0.82 1.54 0.00 -1.17 -4.31 121.76 119.01 2k5p s ALA 30 Ca 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2k5p s ALA 30 Cb -0.13 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2k5p s ALA 30 CO 0.25 -0.32 0.75 1.04 0.00 0.00 0.00 175.76 177.47 2k5p n GLN 31 N 4.40 -1.53 0.19 0.00 3.00 -1.26 -4.71 117.38 117.47 2k5p n GLN 31 Ca -0.01 1.30 0.04 0.00 -0.01 0.00 0.00 57.00 58.33 2k5p n GLN 31 Cb 0.50 -5.59 0.46 0.00 0.00 0.00 0.00 30.24 25.62 2k5p n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k5p h ALA 32 N 0.39 1.64 0.00 -1.58 0.00 -1.98 -0.54 119.26 117.18 2k5p h ALA 32 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k5p h ALA 32 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k5p h ALA 32 CO 0.34 0.27 0.00 0.39 0.00 0.00 0.00 179.25 180.25 2k5p n GLU 33 N -4.31 0.13 -0.07 0.00 -0.58 -1.26 -3.33 120.64 111.23 2k5p n GLU 33 Ca -0.02 0.32 0.01 0.00 -0.42 0.00 0.00 57.16 57.05 2k5p n GLU 33 Cb 0.25 -1.73 0.02 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.97 0.00 -2.05 -0.32 4.01 -0.50 -4.87 117.16 111.45 2k5p n TYR 34 Ca 0.03 -0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 2k5p n TYR 34 Cb 0.24 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.73 3.65 -0.46 -0.72 0.11 -0.33 -4.97 120.40 116.95 2k5p s VAL 35 Ca 0.04 0.77 -0.20 0.00 -2.93 0.00 0.00 61.98 59.66 2k5p s VAL 35 Cb 0.03 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2k5p s VAL 35 CO 0.00 -0.12 0.62 -0.89 -3.33 0.00 0.00 175.10 171.39 2k5p s THR 36 N 4.34 4.86 0.01 5.04 2.01 -1.26 -4.89 115.64 125.74 2k5p s THR 36 Ca 0.72 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2k5p s THR 36 Cb -0.31 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 2k5p s THR 36 CO 0.28 -0.65 0.01 0.68 -0.69 0.00 0.00 174.62 174.25 2k5p s VAL 37 N 2.72 0.07 -0.07 3.82 -7.23 -1.26 -4.42 120.40 114.02 2k5p s VAL 37 Ca 0.19 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2k5p s VAL 37 Cb -0.16 -0.21 -0.00 0.00 0.56 0.00 0.00 36.38 36.57 2k5p s VAL 37 CO 0.16 -0.30 -0.20 -1.83 -0.31 0.00 0.00 175.10 172.62 2k5p s GLU 38 N -0.91 2.31 -0.23 4.82 1.03 -1.22 -0.78 118.70 123.72 2k5p s GLU 38 Ca -0.10 -0.71 -0.13 0.00 0.03 0.00 0.00 54.97 54.06 2k5p s GLU 38 Cb -0.06 -1.87 -0.04 0.00 -0.80 0.00 0.00 34.13 31.35 2k5p s GLU 38 CO -0.00 0.20 0.29 -0.48 -1.33 0.00 0.00 175.26 173.94 2k5p s LEU 39 N 0.23 4.12 -1.71 1.83 2.34 0.59 -0.60 118.68 125.48 2k5p s LEU 39 Ca -0.11 0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.39 2k5p s LEU 39 Cb -0.15 -2.32 0.00 0.00 -0.56 0.00 0.00 46.19 43.16 2k5p s LEU 39 CO 0.05 -0.03 0.00 0.59 -1.06 0.00 0.00 176.35 175.90 2k5p n ASN 40 N 4.49 -4.61 0.00 1.48 4.13 0.39 -0.98 115.26 120.16 2k5p n ASN 40 Ca -0.11 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2k5p n ASN 40 Cb 0.51 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 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 -0.47 2.97 3.64 7.41 0.00 -1.26 -5.08 105.19 112.39 2k5p n GLY 41 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2k5p n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5p s GLU 42 N -0.59 4.08 0.23 1.61 2.02 -0.15 -4.96 118.70 120.94 2k5p s GLU 42 Ca 0.00 0.08 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 2k5p s GLU 42 Cb 0.00 -3.60 -0.09 0.00 0.10 0.00 0.00 34.13 30.54 2k5p s GLU 42 CO 0.00 -0.16 1.00 0.54 0.02 0.00 0.00 175.26 176.66 2k5p s VAL 43 N 1.70 3.97 -0.24 2.63 0.11 -1.26 -0.30 120.40 127.00 2k5p s VAL 43 Ca 0.16 1.90 -0.18 0.00 -2.93 0.00 0.00 61.98 60.94 2k5p s VAL 43 Cb -0.15 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.46 2k5p s VAL 43 CO 0.09 0.42 0.49 -0.76 -3.33 0.00 0.00 175.10 172.01 2k5p s LEU 44 N -1.01 4.09 0.61 2.54 1.02 0.04 -4.94 118.68 121.02 2k5p s LEU 44 Ca 0.43 0.54 -0.17 0.00 0.02 0.00 0.00 54.13 54.95 2k5p s LEU 44 Cb -0.27 -2.64 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 2k5p s LEU 44 CO 0.34 -0.23 1.13 -0.70 0.02 0.00 0.00 176.35 176.91 2k5p s GLU 45 N 2.01 3.03 0.39 1.70 2.12 -1.26 -4.63 118.70 122.06 2k5p s GLU 45 Ca 0.21 1.54 0.18 0.00 0.36 0.00 0.00 54.97 57.25 2k5p s GLU 45 Cb -0.15 -1.97 1.09 0.00 0.26 0.00 0.00 34.13 33.35 2k5p s GLU 45 CO 0.09 -1.09 1.76 0.07 -0.54 0.00 0.00 175.26 175.55 2k5p h ARG 46 N 0.60 0.39 0.00 4.30 0.11 -1.90 0.16 114.38 118.04 2k5p h ARG 46 Ca -0.49 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.47 2k5p h ARG 46 Cb 1.26 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 2k5p h ARG 46 CO 0.55 0.26 -0.57 1.49 0.10 0.00 0.00 179.97 181.80 2k5p h GLU 47 N 0.41 0.00 0.00 0.08 4.81 -1.94 -3.33 114.58 114.60 2k5p h GLU 47 Ca 0.61 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 2k5p h GLU 47 Cb 1.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2k5p h GLU 47 CO -0.32 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 178.39 2k5p h ALA 48 N 1.54 1.00 -0.99 2.92 0.00 -1.04 -3.34 119.26 119.35 2k5p h ALA 48 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2k5p h ALA 48 Cb 1.37 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 2k5p h ALA 48 CO 0.06 0.00 0.62 0.74 0.00 0.00 0.00 179.25 180.67 2k5p h PHE 49 N 0.00 1.06 0.00 0.00 0.04 -1.63 -1.13 116.94 115.28 2k5p h PHE 49 Ca 0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2k5p h PHE 49 Cb 0.75 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2k5p h PHE 49 CO 0.00 0.34 -0.65 0.22 -0.60 0.00 0.00 178.31 177.61 2k5p h ASP 50 N 0.85 0.00 0.05 2.17 3.58 -1.86 -2.44 116.42 118.77 2k5p h ASP 50 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2k5p h ASP 50 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2k5p h ASP 50 CO -0.30 0.31 -0.16 0.00 -2.88 0.00 0.00 179.24 176.21 2k5p n ALA 51 N -2.22 2.87 -2.97 -0.78 0.00 -0.53 -4.81 120.51 112.06 2k5p n ALA 51 Ca -0.00 -0.53 -0.37 0.00 0.00 0.00 0.00 53.44 52.54 2k5p n ALA 51 Cb 0.68 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.22 4.45 0.05 0.00 2.01 -0.58 -5.06 115.64 114.29 2k5p s THR 52 Ca 0.28 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.81 2k5p s THR 52 Cb 0.20 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 2k5p s THR 52 CO 0.42 0.22 0.57 -0.89 -0.69 0.00 0.00 174.62 174.25 2k5p s THR 53 N 1.61 4.79 0.06 -0.82 2.01 -1.26 -1.32 115.64 120.72 2k5p s THR 53 Ca 0.05 1.22 0.07 0.00 0.31 0.00 0.00 61.69 63.34 2k5p s THR 53 Cb -0.16 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2k5p s THR 53 CO 0.05 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 2k5p s VAL 54 N -0.85 3.09 0.00 3.82 1.01 0.61 -4.92 120.40 123.16 2k5p s VAL 54 Ca 0.29 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2k5p s VAL 54 Cb -0.19 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2k5p s VAL 54 CO 0.18 0.25 0.00 2.29 0.00 0.00 0.00 175.10 177.82 2k5p n LYS 55 N 1.20 0.00 -2.02 2.72 -0.00 -1.26 -3.26 118.16 115.53 2k5p n LYS 55 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.86 2k5p n LYS 55 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.49 2k5p n LYS 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k5p n ASP 56 N -2.12 3.12 0.00 -5.58 2.03 -1.26 -3.91 116.55 108.83 2k5p n ASP 56 Ca 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.60 2k5p n ASP 56 Cb 0.00 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 38.70 2k5p n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5p n GLY 57 N 5.68 0.02 2.98 0.27 0.00 -1.10 -4.81 105.19 108.23 2k5p n GLY 57 Ca 0.45 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 1.34 -1.22 1.61 1.11 -1.25 -5.02 116.67 113.24 2k5p s ASP 58 Ca 0.00 -0.21 -0.06 0.00 0.18 0.00 0.00 52.55 52.45 2k5p s ASP 58 Cb 0.00 -0.55 0.21 0.00 1.07 0.00 0.00 42.92 43.65 2k5p s ASP 58 CO 0.00 0.02 1.89 0.00 1.18 0.00 0.00 175.17 178.25 2k5p n ALA 59 N 3.71 5.70 -2.61 5.23 0.00 -1.26 -0.98 120.51 130.29 2k5p n ALA 59 Ca -0.22 -4.42 -0.43 0.00 0.00 0.00 0.00 53.44 48.37 2k5p n ALA 59 Cb 0.52 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 -1.18 4.55 -0.35 0.00 0.11 -0.52 -0.46 120.40 122.55 2k5p s VAL 60 Ca 0.40 1.34 -0.22 0.00 -2.93 0.00 0.00 61.98 60.58 2k5p s VAL 60 Cb 0.11 -4.36 0.01 0.00 -1.53 0.00 0.00 36.38 30.60 2k5p s VAL 60 CO -0.00 -0.54 0.72 -1.61 -3.33 0.00 0.00 175.10 170.34 2k5p s GLU 61 N 3.56 3.74 -0.29 1.54 2.02 0.23 -3.85 118.70 125.65 2k5p s GLU 61 Ca 0.40 0.23 -0.11 0.00 0.02 0.00 0.00 54.97 55.52 2k5p s GLU 61 Cb -0.12 -3.80 -0.03 0.00 0.10 0.00 0.00 34.13 30.28 2k5p s GLU 61 CO 0.18 -0.78 0.18 -0.06 0.02 0.00 0.00 175.26 174.80 2k5p s PHE 62 N 2.92 3.20 -0.03 1.61 0.40 -1.26 -3.39 117.98 121.43 2k5p s PHE 62 Ca 0.29 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2k5p s PHE 62 Cb -0.14 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.03 2k5p s PHE 62 CO 0.16 -0.27 -0.05 -0.48 0.70 0.00 0.00 175.22 175.28 2k5p s LEU 63 N 1.72 1.50 0.00 -0.37 2.34 -1.26 -4.47 118.68 118.13 2k5p s LEU 63 Ca 0.06 -0.12 0.00 0.00 0.06 0.00 0.00 54.13 54.14 2k5p s LEU 63 Cb -0.16 -0.40 0.00 0.00 -0.56 0.00 0.00 46.19 45.06 2k5p s LEU 63 CO 0.09 -0.02 0.00 -1.22 -1.06 0.00 0.00 176.35 174.14 2k5p n TYR 64 N 3.75 0.00 -1.52 3.48 4.01 -1.26 -4.72 117.16 120.90 2k5p n TYR 64 Ca -0.23 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.58 2k5p n TYR 64 Cb 0.52 -0.86 0.19 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.00 0.00 -1.75 -0.72 3.72 -1.26 -4.99 117.46 110.45 2k5p n PHE 65 Ca 0.00 -1.36 -0.01 0.00 -0.05 0.00 0.00 57.45 56.03 2k5p n PHE 65 Cb 0.00 -0.23 -0.01 0.00 -0.94 0.00 0.00 39.48 38.30 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 -1.14 -1.81 -2.26 -1.08 2.81 -1.26 -3.04 117.12 109.35 2k5p n MET 66 Ca 0.18 1.66 0.02 0.00 -1.81 0.00 0.00 57.70 57.74 2k5p n MET 66 Cb 0.69 -2.36 0.04 0.00 -0.71 0.00 0.00 33.22 30.88 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 0.66 1.49 2.68 3.03 0.00 -1.26 -4.83 105.19 106.96 2k5p n GLY 67 Ca -0.10 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.13 4.68 2.01 -0.02 0.00 -1.26 -4.93 105.19 105.53 2k5p n GLY 68 Ca 0.07 -2.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.22 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 1.28 3.70 2.82 -0.02 0.00 -1.26 -4.87 105.19 106.84 2k5p n GLY 69 Ca 0.27 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 1.07 0.51 -3.75 1.61 5.02 -1.26 -4.99 118.16 116.37 2k5p n LYS 70 Ca 0.32 -2.54 -0.12 0.00 -2.02 0.00 0.00 58.31 53.95 2k5p n LYS 70 Cb 0.62 2.31 -0.12 0.00 -0.02 0.00 0.00 35.03 37.81 2k5p n LYS 70 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k5p s LEU 71 N 0.00 0.65 -0.11 -0.35 2.34 -1.26 -5.13 118.68 114.81 2k5p s LEU 71 Ca 0.28 0.55 -0.29 0.00 0.06 0.00 0.00 54.13 54.73 2k5p s LEU 71 Cb 0.00 0.86 -0.04 0.00 -0.56 0.00 0.00 46.19 46.45 2k5p s LEU 71 CO 0.20 -0.13 1.61 -0.70 -1.06 0.00 0.00 176.35 176.26 2k5p s GLU 72 N 0.74 4.06 -0.38 1.48 2.56 -1.26 -4.97 118.70 120.94 2k5p s GLU 72 Ca -0.05 1.98 -0.16 0.00 0.00 0.00 0.00 54.97 56.74 2k5p s GLU 72 Cb -0.06 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 32.09 2k5p s GLU 72 CO -0.05 -0.97 0.41 -1.01 -0.56 0.00 0.00 175.26 173.08 2k5p s HIS 73 N 4.36 3.19 -0.90 5.30 3.76 -1.26 -5.00 115.29 124.74 2k5p s HIS 73 Ca 0.71 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 55.21 2k5p s HIS 73 Cb -0.30 -2.79 -0.14 0.00 1.11 0.00 0.00 32.58 30.47 2k5p s HIS 73 CO 0.28 -0.56 2.22 -3.38 -0.85 0.00 0.00 174.74 172.45 2k5p s HIS 74 N 2.11 1.34 -0.12 1.40 -3.43 -1.26 -4.92 115.29 110.42 2k5p s HIS 74 Ca 0.13 1.69 -0.06 0.00 -0.80 0.00 0.00 55.06 56.01 2k5p s HIS 74 Cb -0.17 -3.57 -0.04 0.00 -1.43 0.00 0.00 32.58 27.37 2k5p s HIS 74 CO 0.13 -1.39 0.11 -3.38 -2.00 0.00 0.00 174.74 168.21 2k5p s HIS 75 N 14.09 3.50 0.26 0.38 -3.43 -1.26 -4.91 115.29 123.93 2k5p s HIS 75 Ca 0.84 0.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.55 2k5p s HIS 75 Cb -0.09 -1.91 0.00 0.00 -1.43 0.00 0.00 32.58 29.14 2k5p s HIS 75 CO 0.09 0.66 0.00 0.72 -2.00 0.00 0.00 174.74 174.21 2k5p n HIS 76 N 2.07 -3.65 -2.33 0.38 8.25 -1.26 -5.03 115.22 113.65 2k5p n HIS 76 Ca -0.20 1.95 -0.25 0.00 -0.26 0.00 0.00 57.72 58.97 2k5p n HIS 76 Cb 0.55 -3.17 0.06 0.00 1.12 0.00 0.00 29.99 28.54 2k5p n HIS 76 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5p s HIS 77 N -1.51 2.92 -2.32 4.41 3.76 -1.26 -5.27 115.29 116.02 2k5p s HIS 77 Ca 0.00 0.33 0.19 0.00 -0.15 0.00 0.00 55.06 55.43 2k5p s HIS 77 Cb 0.00 -3.06 0.15 0.00 1.11 0.00 0.00 32.58 30.78 2k5p s HIS 77 CO 0.00 -1.24 1.09 -2.39 -0.85 0.00 0.00 174.74 171.35