#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 6.89 -0.03 3.17 0.01 -1.26 -1.00 114.94 122.72 2k5p s ASN 2 Ca 0.00 1.06 0.01 0.00 -0.71 0.00 0.00 52.86 53.22 2k5p s ASN 2 Cb 0.00 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.33 2k5p s ASN 2 CO 0.00 0.01 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.82 2k5p s LEU 3 N 0.34 1.35 -1.02 0.60 1.43 0.37 0.18 118.68 121.93 2k5p s LEU 3 Ca 0.31 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 2k5p s LEU 3 Cb -0.17 -0.31 0.07 0.00 0.03 0.00 0.00 46.19 45.81 2k5p s LEU 3 CO 0.15 -0.06 1.40 -0.89 0.23 0.00 0.00 176.35 177.19 2k5p s THR 4 N 0.82 4.09 -0.24 5.49 2.01 0.78 -0.62 115.64 127.96 2k5p s THR 4 Ca -0.09 -0.98 -0.24 0.00 0.31 0.00 0.00 61.69 60.69 2k5p s THR 4 Cb -0.12 -5.01 -0.01 0.00 0.01 0.00 0.00 72.50 67.37 2k5p s THR 4 CO -0.01 -1.86 0.80 -0.69 -0.69 0.00 0.00 174.62 172.17 2k5p s VAL 5 N 4.49 4.86 -1.86 3.82 1.01 0.28 -2.65 120.40 130.34 2k5p s VAL 5 Ca 0.44 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2k5p s VAL 5 Cb -0.01 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k5p s VAL 5 CO -0.09 -0.06 0.00 -3.20 0.00 0.00 0.00 175.10 171.75 2k5p n ASN 6 N 5.95 -5.26 0.00 3.32 2.85 -0.51 -0.55 115.26 121.06 2k5p n ASN 6 Ca 0.05 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 2k5p n ASN 6 Cb 0.48 -4.37 0.00 0.00 1.24 0.00 0.00 39.78 37.13 2k5p n ASN 6 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5p n GLY 7 N -0.79 0.49 3.34 8.20 0.00 -1.26 -4.99 105.19 110.18 2k5p n GLY 7 Ca -0.19 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 -0.85 3.36 0.22 1.61 3.01 0.29 -5.05 119.74 122.34 2k5p s LYS 8 Ca 0.00 -0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 53.98 2k5p s LYS 8 Cb 0.00 -2.72 -0.09 0.00 -1.01 0.00 0.00 37.83 34.02 2k5p s LYS 8 CO 0.00 0.09 0.96 -1.25 0.51 0.00 0.00 175.35 175.67 2k5p s PRO 9 N 0.67 4.81 0.10 -1.68 0.04 -1.26 0.99 135.00 138.66 2k5p s PRO 9 Ca -0.06 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2k5p s PRO 9 Cb -0.15 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2k5p s PRO 9 CO 0.02 0.44 0.28 0.45 0.04 0.00 0.00 177.00 178.23 2k5p s SER 10 N -0.95 -0.04 -0.31 6.66 0.15 0.21 -4.90 113.70 114.52 2k5p s SER 10 Ca 0.42 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.54 2k5p s SER 10 Cb -0.26 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2k5p s SER 10 CO 0.33 -0.76 0.08 -0.89 1.20 0.00 0.00 173.24 173.19 2k5p s THR 11 N -3.68 3.75 -0.23 6.45 2.01 -1.26 -0.48 115.64 122.21 2k5p s THR 11 Ca 0.03 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2k5p s THR 11 Cb 0.03 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 2k5p s THR 11 CO -0.10 -0.04 -0.04 0.68 -0.69 0.00 0.00 174.62 174.43 2k5p s VAL 12 N 1.43 3.36 0.72 3.82 -7.23 -0.17 -4.94 120.40 117.40 2k5p s VAL 12 Ca 0.00 -0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 2k5p s VAL 12 Cb -0.18 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2k5p s VAL 12 CO 0.02 0.40 1.10 -0.62 -0.31 0.00 0.00 175.10 175.68 2k5p s ASP 13 N 1.47 5.16 0.00 4.85 -1.08 -1.26 0.15 116.67 125.96 2k5p s ASP 13 Ca 0.05 0.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 2k5p s ASP 13 Cb -0.14 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 2k5p s ASP 13 CO -0.03 -1.49 0.00 0.61 0.52 0.00 0.00 175.17 174.78 2k5p n GLY 14 N -3.05 0.62 2.94 2.66 0.00 -1.26 -4.81 105.19 102.28 2k5p n GLY 14 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.71 2.04 -0.14 4.61 0.00 -1.25 -4.99 121.76 119.32 2k5p s ALA 15 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 2k5p s ALA 15 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 2k5p s ALA 15 CO 0.00 -1.27 -0.29 -1.91 0.00 0.00 0.00 175.76 172.28 2k5p n GLU 16 N 4.64 0.45 -3.35 0.00 2.13 -1.26 0.07 120.64 123.30 2k5p n GLU 16 Ca -0.10 0.18 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 2k5p n GLU 16 Cb 0.44 -1.28 -0.08 0.00 0.27 0.00 0.00 31.44 30.79 2k5p n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2k5p s SER 17 N -5.78 0.95 -0.06 4.31 1.04 -1.26 -4.13 113.70 108.76 2k5p s SER 17 Ca -0.24 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 55.75 2k5p s SER 17 Cb 0.03 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2k5p s SER 17 CO 0.36 -0.36 -0.18 -0.76 0.98 0.00 0.00 173.24 173.28 2k5p s LEU 18 N 2.46 1.90 0.60 2.42 1.43 -0.18 -4.90 118.68 122.41 2k5p s LEU 18 Ca 0.10 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 2k5p s LEU 18 Cb -0.13 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2k5p s LEU 18 CO -0.29 0.13 1.24 0.54 0.23 0.00 0.00 176.35 178.20 2k5p s ASN 19 N 0.23 5.05 0.32 2.29 4.22 -1.26 -0.19 114.94 125.59 2k5p s ASN 19 Ca -0.09 2.48 0.09 0.00 -2.14 0.00 0.00 52.86 53.20 2k5p s ASN 19 Cb -0.14 -2.61 0.92 0.00 1.28 0.00 0.00 41.25 40.70 2k5p s ASN 19 CO 0.04 -1.70 1.65 0.58 -2.04 0.00 0.00 177.10 175.63 2k5p h VAL 20 N 0.85 0.29 -0.54 3.54 2.07 0.11 0.26 116.25 122.83 2k5p h VAL 20 Ca -0.51 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.03 2k5p h VAL 20 Cb 1.31 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 2k5p h VAL 20 CO 0.55 0.05 -0.01 0.74 0.02 0.00 0.00 177.57 178.92 2k5p h THR 21 N 0.26 0.56 -0.19 2.57 2.02 -1.50 -0.92 112.91 115.71 2k5p h THR 21 Ca 0.65 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.74 2k5p h THR 21 Cb 1.43 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2k5p h THR 21 CO -0.64 0.02 -0.15 -0.33 0.37 0.00 0.00 175.52 174.79 2k5p h GLU 22 N 0.11 0.31 0.00 6.66 4.39 -0.78 0.06 114.58 125.34 2k5p h GLU 22 Ca 0.28 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 2k5p h GLU 22 Cb 0.43 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k5p h GLU 22 CO -0.46 0.47 -0.00 1.25 -1.16 0.00 0.00 179.01 179.10 2k5p h LEU 23 N 0.29 -0.00 -1.36 1.33 6.46 -0.93 0.18 115.31 121.27 2k5p h LEU 23 Ca 0.06 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2k5p h LEU 23 Cb 0.44 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 2k5p h LEU 23 CO 0.03 0.08 0.02 -0.07 -0.62 0.00 0.00 178.44 177.87 2k5p h LEU 24 N -0.09 0.41 -0.65 2.25 -0.00 -1.04 -0.66 115.31 115.52 2k5p h LEU 24 Ca -0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 2k5p h LEU 24 Cb 0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 2k5p h LEU 24 CO 0.00 0.46 0.20 -1.28 -0.00 0.00 0.00 178.44 177.82 2k5p h SER 25 N 0.43 0.95 0.25 -0.43 0.87 -0.47 0.32 113.55 115.48 2k5p h SER 25 Ca 0.10 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.32 2k5p h SER 25 Cb 0.26 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2k5p h SER 25 CO 0.01 0.91 -0.52 0.00 -0.53 0.00 0.00 176.83 176.70 2k5p h ALA 26 N 1.08 0.92 -0.15 6.23 0.00 -0.27 -2.97 119.26 124.10 2k5p h ALA 26 Ca 0.21 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2k5p h ALA 26 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k5p h ALA 26 CO -0.01 0.67 -0.55 1.25 0.00 0.00 0.00 179.25 180.61 2k5p h LEU 27 N 0.23 0.50 -2.34 0.00 6.46 -0.84 -3.49 115.31 115.83 2k5p h LEU 27 Ca 0.01 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2k5p h LEU 27 Cb 0.99 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2k5p h LEU 27 CO 0.08 0.95 -0.17 0.29 -0.62 0.00 0.00 178.44 178.98 2k5p n LYS 28 N -3.94 -1.68 -4.81 1.25 5.02 0.11 -5.05 118.16 109.06 2k5p n LYS 28 Ca -0.03 1.71 -0.31 0.00 -2.02 0.00 0.00 58.31 57.66 2k5p n LYS 28 Cb 0.60 -5.71 -0.14 0.00 -0.02 0.00 0.00 35.03 29.77 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 -2.86 2.60 0.33 -0.18 0.11 -1.23 -5.08 120.40 114.08 2k5p s VAL 29 Ca 0.09 -1.17 -0.27 0.00 -2.93 0.00 0.00 61.98 57.70 2k5p s VAL 29 Cb -0.02 -2.05 -0.09 0.00 -1.53 0.00 0.00 36.38 32.68 2k5p s VAL 29 CO 0.75 0.40 1.05 0.00 -3.33 0.00 0.00 175.10 173.97 2k5p s ALA 30 N -0.84 3.25 -0.65 1.54 0.00 -1.26 -3.82 121.76 119.97 2k5p s ALA 30 Ca 0.13 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 2k5p s ALA 30 Cb -0.10 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k5p s ALA 30 CO 0.03 -0.11 0.40 1.04 0.00 0.00 0.00 175.76 177.13 2k5p n GLN 31 N 0.65 -2.87 -0.22 0.00 6.02 -1.26 -4.70 117.38 114.99 2k5p n GLN 31 Ca 0.02 0.39 0.04 0.00 -0.01 0.00 0.00 57.00 57.43 2k5p n GLN 31 Cb 0.47 -4.12 0.29 0.00 1.02 0.00 0.00 30.24 27.90 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 0.45 1.57 0.00 -1.58 0.00 -1.95 0.11 119.26 117.86 2k5p h ALA 32 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k5p h ALA 32 Cb 1.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k5p h ALA 32 CO 0.25 0.35 0.00 -1.91 0.00 0.00 0.00 179.25 177.94 2k5p n GLU 33 N -4.46 0.45 -0.00 0.00 4.07 -1.26 -3.27 120.64 116.17 2k5p n GLU 33 Ca 0.10 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 2k5p n GLU 33 Cb 0.14 -1.50 -0.00 0.00 -0.06 0.00 0.00 31.44 30.02 2k5p n GLU 33 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2k5p n TYR 34 N -1.16 0.00 -3.03 4.31 4.02 0.24 -4.99 117.16 116.56 2k5p n TYR 34 Ca 0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.62 2k5p n TYR 34 Cb 0.12 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.37 5.01 -0.31 -0.72 0.11 -0.28 -5.05 120.40 117.79 2k5p s VAL 35 Ca 0.00 1.49 -0.17 0.00 -2.93 0.00 0.00 61.98 60.37 2k5p s VAL 35 Cb 0.00 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.78 2k5p s VAL 35 CO 0.01 0.26 0.48 -0.89 -3.33 0.00 0.00 175.10 171.63 2k5p s THR 36 N 0.72 5.07 0.26 5.04 2.01 -1.26 -4.96 115.64 122.51 2k5p s THR 36 Ca 0.38 0.50 0.12 0.00 0.31 0.00 0.00 61.69 63.00 2k5p s THR 36 Cb -0.18 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2k5p s THR 36 CO 0.19 -0.06 -0.19 0.68 -0.69 0.00 0.00 174.62 174.55 2k5p s VAL 37 N 2.29 2.56 -0.05 3.82 -7.23 -1.26 -3.98 120.40 116.55 2k5p s VAL 37 Ca 0.18 -2.28 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 2k5p s VAL 37 Cb -0.16 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2k5p s VAL 37 CO 0.11 -0.34 -0.14 -1.83 -0.31 0.00 0.00 175.10 172.59 2k5p s GLU 38 N -3.36 1.67 -0.55 4.82 -1.05 -0.95 -3.05 118.70 116.23 2k5p s GLU 38 Ca 0.28 -0.49 -0.21 0.00 -0.15 0.00 0.00 54.97 54.40 2k5p s GLU 38 Cb -0.06 -1.42 0.06 0.00 -0.44 0.00 0.00 34.13 32.28 2k5p s GLU 38 CO 0.15 0.13 0.76 -1.17 0.95 0.00 0.00 175.26 176.08 2k5p s LEU 39 N 0.33 4.73 -1.36 1.83 1.98 0.82 -1.28 118.68 125.73 2k5p s LEU 39 Ca -0.09 -0.86 -0.05 0.00 -2.89 0.00 0.00 54.13 50.25 2k5p s LEU 39 Cb -0.13 -2.52 0.02 0.00 0.66 0.00 0.00 46.19 44.23 2k5p s LEU 39 CO 0.03 -1.08 0.87 0.59 -1.89 0.00 0.00 176.35 174.87 2k5p n ASN 40 N 6.72 -2.83 0.00 3.68 3.02 -0.03 -1.64 115.26 124.18 2k5p n ASN 40 Ca -0.05 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2k5p n ASN 40 Cb 0.45 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 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 -1.60 1.69 3.50 7.41 0.00 -1.26 -5.00 105.19 109.92 2k5p n GLY 41 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.05 3.22 -0.01 1.61 2.56 -0.65 -4.98 118.70 120.40 2k5p s GLU 42 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 54.97 54.02 2k5p s GLU 42 Cb 0.00 -3.93 -0.05 0.00 2.00 0.00 0.00 34.13 32.16 2k5p s GLU 42 CO 0.00 -0.78 1.33 0.54 -0.56 0.00 0.00 175.26 175.80 2k5p s VAL 43 N 2.14 3.88 0.14 3.70 0.11 -1.26 -0.13 120.40 128.98 2k5p s VAL 43 Ca 0.12 1.25 -0.01 0.00 -2.93 0.00 0.00 61.98 60.42 2k5p s VAL 43 Cb -0.17 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2k5p s VAL 43 CO 0.13 0.00 0.32 -0.76 -3.33 0.00 0.00 175.10 171.47 2k5p s LEU 44 N 2.30 4.29 0.51 2.54 2.01 -1.17 -4.97 118.68 124.19 2k5p s LEU 44 Ca 0.61 0.39 -0.20 0.00 0.01 0.00 0.00 54.13 54.93 2k5p s LEU 44 Cb -0.29 -3.12 -0.07 0.00 0.01 0.00 0.00 46.19 42.72 2k5p s LEU 44 CO 0.25 0.05 1.11 -0.70 1.01 0.00 0.00 176.35 178.07 2k5p s GLU 45 N -2.91 3.54 0.33 1.70 -6.30 -1.26 -4.78 118.70 109.03 2k5p s GLU 45 Ca 0.38 1.57 0.07 0.00 -2.50 0.00 0.00 54.97 54.48 2k5p s GLU 45 Cb -0.12 -2.09 0.74 0.00 0.00 0.00 0.00 34.13 32.66 2k5p s GLU 45 CO 0.27 -0.69 1.86 0.00 0.02 0.00 0.00 175.26 176.72 2k5p h ARG 46 N 1.43 0.76 0.00 4.30 3.08 -1.94 0.20 114.38 122.22 2k5p h ARG 46 Ca -0.50 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.31 2k5p h ARG 46 Cb 1.25 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 2k5p h ARG 46 CO 0.58 0.50 -0.92 1.49 -1.07 0.00 0.00 179.97 180.55 2k5p h GLU 47 N 0.78 0.00 0.00 0.04 4.81 -1.96 -3.24 114.58 115.02 2k5p h GLU 47 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2k5p h GLU 47 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2k5p h GLU 47 CO -0.23 0.92 0.00 0.00 -0.73 0.00 0.00 179.01 178.97 2k5p h ALA 48 N 1.08 1.00 -0.48 2.92 0.00 -0.97 -1.07 119.26 121.73 2k5p h ALA 48 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2k5p h ALA 48 Cb 1.64 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2k5p h ALA 48 CO 0.12 0.00 0.33 0.74 0.00 0.00 0.00 179.25 180.44 2k5p h PHE 49 N 0.00 0.31 0.00 0.00 0.04 -1.50 0.29 116.94 116.07 2k5p h PHE 49 Ca 0.00 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 2k5p h PHE 49 Cb 0.02 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2k5p h PHE 49 CO 0.00 0.15 -0.64 0.22 -0.60 0.00 0.00 178.31 177.44 2k5p h ASP 50 N 0.30 0.00 0.67 2.17 3.58 -1.44 0.17 116.42 121.87 2k5p h ASP 50 Ca 0.22 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 2k5p h ASP 50 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2k5p h ASP 50 CO -0.05 0.48 -1.41 0.00 -2.88 0.00 0.00 179.24 175.39 2k5p n ALA 51 N -2.25 2.25 -2.65 -0.78 0.00 -0.59 -4.81 120.51 111.67 2k5p n ALA 51 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 2k5p n ALA 51 Cb 0.74 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.15 4.56 -0.34 0.00 2.01 0.92 -5.02 115.64 114.63 2k5p s THR 52 Ca -0.03 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 2k5p s THR 52 Cb 0.10 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 68.18 2k5p s THR 52 CO 0.82 -0.95 0.85 0.42 -0.69 0.00 0.00 174.62 175.06 2k5p s THR 53 N 3.49 4.70 -0.07 -0.82 -4.23 -1.26 -0.94 115.64 116.50 2k5p s THR 53 Ca 0.27 1.15 -0.18 0.00 -1.18 0.00 0.00 61.69 61.75 2k5p s THR 53 Cb -0.14 -4.24 -0.05 0.00 1.34 0.00 0.00 72.50 69.42 2k5p s THR 53 CO 0.18 -0.40 0.50 -0.69 -0.54 0.00 0.00 174.62 173.68 2k5p s VAL 54 N 3.19 5.09 0.35 2.29 1.01 0.73 -4.88 120.40 128.18 2k5p s VAL 54 Ca 0.35 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.37 2k5p s VAL 54 Cb -0.13 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2k5p s VAL 54 CO 0.16 0.39 0.06 0.29 0.00 0.00 0.00 175.10 175.99 2k5p n LYS 55 N 3.15 0.85 -1.73 2.72 5.02 -1.26 -1.01 118.16 125.90 2k5p n LYS 55 Ca -0.08 -2.74 -0.40 0.00 -2.02 0.00 0.00 58.31 53.07 2k5p n LYS 55 Cb 0.52 1.12 0.02 0.00 -0.02 0.00 0.00 35.03 36.67 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 -1.45 2.85 -2.23 4.39 -0.08 -1.26 -3.07 116.55 115.70 2k5p n ASP 56 Ca -0.10 1.09 -0.16 0.00 -1.51 0.00 0.00 54.79 54.11 2k5p n ASP 56 Cb 0.48 -1.55 0.02 0.00 2.34 0.00 0.00 41.12 42.41 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 0.72 -0.20 2.73 0.27 0.00 0.13 -4.95 105.19 103.88 2k5p n GLY 57 Ca 0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.34 2.81 -3.75 1.61 -0.08 -1.17 -4.93 116.55 109.70 2k5p n ASP 58 Ca -0.09 -2.57 -0.29 0.00 -1.51 0.00 0.00 54.79 50.32 2k5p n ASP 58 Cb 0.59 0.17 -0.15 0.00 2.34 0.00 0.00 41.12 44.07 2k5p n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k5p s ALA 59 N -2.63 1.44 -0.40 -1.67 0.00 -1.26 -0.16 121.76 117.08 2k5p s ALA 59 Ca 0.07 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 2k5p s ALA 59 Cb -0.01 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2k5p s ALA 59 CO 0.05 -1.52 0.43 0.54 0.00 0.00 0.00 175.76 175.25 2k5p s VAL 60 N 1.66 5.10 -0.46 0.00 0.11 -1.08 -0.85 120.40 124.88 2k5p s VAL 60 Ca 0.06 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 58.72 2k5p s VAL 60 Cb -0.17 -4.00 0.07 0.00 -1.53 0.00 0.00 36.38 30.75 2k5p s VAL 60 CO -0.20 -0.35 0.37 -1.61 -3.33 0.00 0.00 175.10 169.97 2k5p s GLU 61 N 2.12 2.91 -0.30 1.54 2.02 -0.41 -1.42 118.70 125.16 2k5p s GLU 61 Ca 0.12 -1.36 -0.27 0.00 0.02 0.00 0.00 54.97 53.47 2k5p s GLU 61 Cb -0.17 -4.06 0.01 0.00 0.10 0.00 0.00 34.13 30.01 2k5p s GLU 61 CO 0.13 -1.01 0.99 0.12 0.02 0.00 0.00 175.26 175.51 2k5p s PHE 62 N 1.60 3.19 0.71 1.61 5.36 -1.26 -2.25 117.98 126.94 2k5p s PHE 62 Ca 0.04 1.12 -0.12 0.00 -0.96 0.00 0.00 56.93 57.01 2k5p s PHE 62 Cb -0.24 -3.51 0.16 0.00 -0.34 0.00 0.00 43.02 39.10 2k5p s PHE 62 CO 0.06 -0.67 0.92 1.28 -1.46 0.00 0.00 175.22 175.35 2k5p n LEU 63 N 6.61 0.00 0.00 6.12 4.77 -1.26 -4.88 117.00 128.37 2k5p n LEU 63 Ca 0.10 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2k5p n LEU 63 Cb 0.47 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2k5p n LEU 63 CO 0.56 -1.23 0.27 0.00 -1.33 0.00 0.00 177.39 175.66 2k5p n TYR 64 N -3.37 0.00 -2.01 -1.77 0.18 -1.26 -4.63 117.16 104.29 2k5p n TYR 64 Ca 0.12 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.58 2k5p n TYR 64 Cb 0.41 -0.09 -0.04 0.00 -0.38 0.00 0.00 39.34 39.23 2k5p n TYR 64 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2k5p s PHE 65 N -2.05 1.70 0.02 -3.48 0.40 -1.26 -4.91 117.98 108.40 2k5p s PHE 65 Ca 0.00 0.78 -0.10 0.00 -0.60 0.00 0.00 56.93 57.00 2k5p s PHE 65 Cb 0.00 -4.02 0.01 0.00 0.51 0.00 0.00 43.02 39.51 2k5p s PHE 65 CO 0.00 -1.99 0.22 1.41 0.70 0.00 0.00 175.22 175.56 2k5p s MET 66 N 7.14 0.67 0.00 0.44 1.75 -1.26 -4.97 119.30 123.07 2k5p s MET 66 Ca 0.71 -0.50 0.00 0.00 -1.25 0.00 0.00 55.69 54.64 2k5p s MET 66 Cb -0.10 0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.86 2k5p s MET 66 CO 0.09 -0.19 0.00 0.41 -0.65 0.00 0.00 175.02 174.68 2k5p n GLY 67 N 0.90 1.09 5.00 2.11 0.00 -1.26 -4.96 105.19 108.07 2k5p n GLY 67 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.29 3.65 -0.02 0.00 -1.26 -4.73 105.19 104.11 2k5p n GLY 68 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.87 3.18 -0.02 0.00 -1.26 -4.57 105.19 104.38 2k5p n GLY 69 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 3.09 -1.97 1.61 3.00 -1.26 -4.78 118.16 117.84 2k5p n LYS 70 Ca 0.00 -3.04 0.00 0.00 -0.00 0.00 0.00 58.31 55.27 2k5p n LYS 70 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 35.03 31.68 2k5p n LYS 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2k5p n LEU 71 N 7.01 -2.02 -0.05 3.14 7.94 -1.26 -4.93 117.00 126.83 2k5p n LEU 71 Ca 0.49 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 2k5p n LEU 71 Cb 0.42 -0.87 -0.15 0.00 0.53 0.00 0.00 43.42 43.35 2k5p n LEU 71 CO 0.82 -0.84 -0.93 -1.84 -1.11 0.00 0.00 177.39 173.49 2k5p n GLU 72 N 1.00 0.76 -3.72 1.96 0.28 -1.26 -4.96 120.64 114.70 2k5p n GLU 72 Ca 0.00 -0.10 -0.15 0.00 -0.16 0.00 0.00 57.16 56.75 2k5p n GLU 72 Cb 0.26 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.48 2k5p n GLU 72 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2k5p s HIS 73 N -2.94 -0.10 -0.14 -1.84 3.76 -1.26 -5.13 115.29 107.64 2k5p s HIS 73 Ca -0.08 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 2k5p s HIS 73 Cb 0.09 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.60 2k5p s HIS 73 CO 0.82 -0.18 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.80 2k5p s HIS 74 N 1.56 2.17 0.08 1.40 2.46 -1.26 -5.14 115.29 116.57 2k5p s HIS 74 Ca -0.04 -1.20 -0.08 0.00 0.47 0.00 0.00 55.06 54.21 2k5p s HIS 74 Cb -0.12 -1.59 -0.06 0.00 -0.13 0.00 0.00 32.58 30.69 2k5p s HIS 74 CO -0.05 -0.65 0.37 -1.58 -2.47 0.00 0.00 174.74 170.36 2k5p s HIS 75 N 1.40 3.55 -0.54 3.88 2.46 -1.26 -5.05 115.29 119.73 2k5p s HIS 75 Ca 0.03 0.69 -0.23 0.00 0.47 0.00 0.00 55.06 56.02 2k5p s HIS 75 Cb -0.13 -2.09 0.05 0.00 -0.13 0.00 0.00 32.58 30.28 2k5p s HIS 75 CO -0.09 0.51 0.87 -1.01 -2.47 0.00 0.00 174.74 172.55 2k5p s HIS 76 N -1.45 2.85 -0.02 3.88 3.76 -1.26 -5.02 115.29 118.03 2k5p s HIS 76 Ca 0.34 -0.13 -0.06 0.00 -0.15 0.00 0.00 55.06 55.06 2k5p s HIS 76 Cb -0.13 -3.96 0.01 0.00 1.11 0.00 0.00 32.58 29.61 2k5p s HIS 76 CO 0.19 -1.28 0.14 -1.58 -0.85 0.00 0.00 174.74 171.36 2k5p s HIS 77 N 3.66 -0.03 -0.58 1.40 5.04 -1.26 -5.38 115.29 118.14 2k5p s HIS 77 Ca 0.27 0.05 0.05 0.00 -1.54 0.00 0.00 55.06 53.88 2k5p s HIS 77 Cb -0.14 -0.02 0.04 0.00 0.04 0.00 0.00 32.58 32.50 2k5p s HIS 77 CO 0.18 -0.21 0.65 -2.39 -2.34 0.00 0.00 174.74 170.62