#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 6.45 -0.24 3.17 0.01 -1.26 -1.17 114.94 121.91 2k5p s ASN 2 Ca 0.00 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.15 2k5p s ASN 2 Cb 0.00 -2.45 0.04 0.00 0.41 0.00 0.00 41.25 39.25 2k5p s ASN 2 CO 0.00 -1.12 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.59 2k5p s LEU 3 N 3.87 3.04 -0.71 0.60 1.43 0.16 0.40 118.68 127.47 2k5p s LEU 3 Ca 0.36 -1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 52.11 2k5p s LEU 3 Cb -0.11 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2k5p s LEU 3 CO 0.24 -0.13 1.54 -0.89 0.23 0.00 0.00 176.35 177.35 2k5p s THR 4 N 1.21 3.58 -0.25 5.49 2.01 0.09 -0.53 115.64 127.23 2k5p s THR 4 Ca -0.03 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 2k5p s THR 4 Cb -0.17 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 2k5p s THR 4 CO -0.07 -1.47 0.13 -0.69 -0.69 0.00 0.00 174.62 171.84 2k5p s VAL 5 N 7.15 4.92 -1.50 3.82 1.01 0.24 -2.43 120.40 133.60 2k5p s VAL 5 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2k5p s VAL 5 Cb -0.09 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2k5p s VAL 5 CO 0.15 0.31 0.00 0.59 0.00 0.00 0.00 175.10 176.16 2k5p n ASN 6 N 4.76 -4.91 0.00 3.32 5.03 -1.26 -1.08 115.26 121.12 2k5p n ASN 6 Ca -0.15 0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.40 2k5p n ASN 6 Cb 0.52 -3.97 0.00 0.00 -1.02 0.00 0.00 39.78 35.31 2k5p n ASN 6 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k5p n GLY 7 N -1.00 0.86 3.37 7.41 0.00 -1.26 -5.03 105.19 109.54 2k5p n GLY 7 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.28 2.81 -0.40 1.61 3.01 -0.25 -5.05 119.74 121.20 2k5p s LYS 8 Ca 0.00 -1.09 -0.27 0.00 -1.01 0.00 0.00 55.97 53.60 2k5p s LYS 8 Cb 0.00 -3.74 -0.06 0.00 -1.01 0.00 0.00 37.83 33.03 2k5p s LYS 8 CO 0.00 -0.71 2.27 -2.14 0.51 0.00 0.00 175.35 175.28 2k5p s PRO 9 N 1.55 2.54 -0.33 -1.68 0.02 -1.26 -0.59 135.00 135.25 2k5p s PRO 9 Ca 0.02 1.55 -0.06 0.00 0.02 0.00 0.00 61.00 62.53 2k5p s PRO 9 Cb -0.19 -4.48 0.04 0.00 0.02 0.00 0.00 34.50 29.89 2k5p s PRO 9 CO 0.07 -2.78 0.09 -1.12 -0.33 0.00 0.00 177.00 172.93 2k5p s SER 10 N 10.27 5.26 -0.80 2.53 0.01 0.31 -4.90 113.70 126.38 2k5p s SER 10 Ca 0.95 -1.12 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 2k5p s SER 10 Cb -0.22 -1.85 0.05 0.00 0.21 0.00 0.00 66.02 64.21 2k5p s SER 10 CO 0.29 -0.31 1.23 -0.89 0.41 0.00 0.00 173.24 173.97 2k5p s THR 11 N 1.40 3.99 -0.52 1.44 2.01 -1.26 -0.66 115.64 122.03 2k5p s THR 11 Ca -0.02 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.60 2k5p s THR 11 Cb -0.19 -4.88 0.06 0.00 0.01 0.00 0.00 72.50 67.50 2k5p s THR 11 CO 0.02 -1.76 0.66 0.68 -0.69 0.00 0.00 174.62 173.54 2k5p s VAL 12 N 4.93 4.83 0.46 3.82 -7.23 -0.31 -4.94 120.40 121.96 2k5p s VAL 12 Ca 0.34 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 59.78 2k5p s VAL 12 Cb -0.08 -4.34 -0.08 0.00 0.56 0.00 0.00 36.38 32.44 2k5p s VAL 12 CO 0.06 -0.87 1.09 -0.62 -0.31 0.00 0.00 175.10 174.45 2k5p s ASP 13 N 2.83 6.35 0.00 4.85 2.15 -1.26 0.38 116.67 131.97 2k5p s ASP 13 Ca 0.16 2.11 0.00 0.00 0.43 0.00 0.00 52.55 55.25 2k5p s ASP 13 Cb -0.19 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2k5p s ASP 13 CO 0.12 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 2k5p n GLY 14 N 0.21 1.28 3.37 2.66 0.00 -1.26 -4.84 105.19 106.61 2k5p n GLY 14 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.30 3.00 0.00 4.61 0.00 -1.24 -4.97 121.76 120.85 2k5p s ALA 15 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2k5p s ALA 15 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2k5p s ALA 15 CO 0.00 -0.52 0.02 -1.91 0.00 0.00 0.00 175.76 173.35 2k5p n GLU 16 N 4.86 0.00 -3.64 0.00 4.07 -1.26 -0.37 120.64 124.30 2k5p n GLU 16 Ca -0.17 0.31 -0.09 0.00 -0.06 0.00 0.00 57.16 57.15 2k5p n GLU 16 Cb 0.51 -0.82 -0.07 0.00 -0.06 0.00 0.00 31.44 31.00 2k5p n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2k5p s SER 17 N -2.23 -0.71 0.07 4.31 1.04 -1.26 -3.73 113.70 111.18 2k5p s SER 17 Ca 0.00 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 2k5p s SER 17 Cb 0.00 1.28 0.01 0.00 0.10 0.00 0.00 66.02 67.41 2k5p s SER 17 CO 0.00 -0.21 0.25 -1.48 0.98 0.00 0.00 173.24 172.79 2k5p s LEU 18 N 0.86 1.11 0.96 2.42 0.05 -0.34 -5.00 118.68 118.75 2k5p s LEU 18 Ca -0.04 -0.39 -0.12 0.00 0.05 0.00 0.00 54.13 53.63 2k5p s LEU 18 Cb -0.05 1.22 0.17 0.00 -2.05 0.00 0.00 46.19 45.48 2k5p s LEU 18 CO -0.09 -0.66 1.11 0.20 -0.55 0.00 0.00 176.35 176.36 2k5p s ASN 19 N -2.40 2.98 0.21 1.48 -0.87 -1.26 0.65 114.94 115.73 2k5p s ASN 19 Ca -0.01 1.06 -0.09 0.00 -1.57 0.00 0.00 52.86 52.25 2k5p s ASN 19 Cb 0.01 -1.68 0.16 0.00 -0.02 0.00 0.00 41.25 39.72 2k5p s ASN 19 CO -0.07 -2.89 1.81 0.58 -2.57 0.00 0.00 177.10 173.96 2k5p h VAL 20 N -1.73 1.25 -0.10 1.60 2.07 -0.38 0.21 116.25 119.16 2k5p h VAL 20 Ca -0.53 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.36 2k5p h VAL 20 Cb 1.33 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2k5p h VAL 20 CO 0.60 0.29 -0.20 0.74 0.02 0.00 0.00 177.57 179.01 2k5p h THR 21 N 1.11 0.50 -0.35 2.57 2.02 -1.44 -1.57 112.91 115.76 2k5p h THR 21 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 2k5p h THR 21 Cb 0.09 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2k5p h THR 21 CO -0.04 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 175.67 2k5p h GLU 22 N -0.27 0.48 0.57 6.66 4.39 -1.74 0.07 114.58 124.74 2k5p h GLU 22 Ca 0.09 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2k5p h GLU 22 Cb 0.40 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k5p h GLU 22 CO -0.26 0.40 -0.27 1.25 -1.16 0.00 0.00 179.01 178.96 2k5p h LEU 23 N 0.48 -0.65 -1.68 1.33 5.85 -0.01 0.18 115.31 120.82 2k5p h LEU 23 Ca 0.12 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2k5p h LEU 23 Cb 0.09 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2k5p h LEU 23 CO -0.01 -0.38 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.55 2k5p h LEU 24 N -0.89 0.08 -0.78 2.25 -0.00 -1.18 -1.57 115.31 113.23 2k5p h LEU 24 Ca -0.08 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 2k5p h LEU 24 Cb 0.63 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 2k5p h LEU 24 CO 0.13 0.19 -0.11 -1.28 -0.00 0.00 0.00 178.44 177.36 2k5p h SER 25 N 0.09 0.80 -0.21 -0.43 0.87 -0.72 0.16 113.55 114.11 2k5p h SER 25 Ca 0.02 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 2k5p h SER 25 Cb 0.22 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2k5p h SER 25 CO 0.01 0.93 -0.28 0.00 -0.53 0.00 0.00 176.83 176.96 2k5p h ALA 26 N 1.14 0.88 0.00 6.23 0.00 0.21 -2.78 119.26 124.95 2k5p h ALA 26 Ca 0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2k5p h ALA 26 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k5p h ALA 26 CO 0.04 0.63 -0.61 -0.07 0.00 0.00 0.00 179.25 179.23 2k5p h LEU 27 N 0.60 0.00 0.39 0.00 3.38 -1.13 -3.47 115.31 115.07 2k5p h LEU 27 Ca 0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 2k5p h LEU 27 Cb 0.78 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2k5p h LEU 27 CO 0.06 0.61 -0.15 0.29 0.09 0.00 0.00 178.44 179.35 2k5p n LYS 28 N -3.68 -1.06 -2.39 1.13 5.02 0.55 -4.98 118.16 112.75 2k5p n LYS 28 Ca -0.01 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.59 2k5p n LYS 28 Cb 0.64 -4.74 -0.04 0.00 -0.02 0.00 0.00 35.03 30.87 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 -2.05 3.29 -0.72 -0.18 0.11 -1.23 -4.95 120.40 114.67 2k5p s VAL 29 Ca 0.00 1.31 0.26 0.00 -2.93 0.00 0.00 61.98 60.62 2k5p s VAL 29 Cb 0.00 -3.83 0.27 0.00 -1.53 0.00 0.00 36.38 31.29 2k5p s VAL 29 CO 0.00 0.31 1.74 0.00 -3.33 0.00 0.00 175.10 173.83 2k5p n ALA 30 N 1.09 2.33 -0.61 1.54 0.00 -1.26 -3.61 120.51 119.99 2k5p n ALA 30 Ca -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 2k5p n ALA 30 Cb 0.44 -1.45 0.12 0.00 0.00 0.00 0.00 19.45 18.56 2k5p n ALA 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k5p n GLN 31 N -2.26 1.90 -0.25 0.00 3.00 -1.26 -4.59 117.38 113.92 2k5p n GLN 31 Ca 0.05 -2.13 0.01 0.00 -0.01 0.00 0.00 57.00 54.92 2k5p n GLN 31 Cb 0.43 -1.84 0.23 0.00 0.00 0.00 0.00 30.24 29.07 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 1.33 1.46 0.00 -1.58 0.00 -1.96 0.30 119.26 118.80 2k5p h ALA 32 Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k5p h ALA 32 Cb 2.21 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2k5p h ALA 32 CO 0.81 0.49 0.00 -1.91 0.00 0.00 0.00 179.25 178.64 2k5p n GLU 33 N -4.43 0.04 -0.18 0.00 2.13 -1.26 -3.78 120.64 113.17 2k5p n GLU 33 Ca 0.09 0.06 0.09 0.00 0.66 0.00 0.00 57.16 58.06 2k5p n GLU 33 Cb 0.06 -1.55 0.15 0.00 0.27 0.00 0.00 31.44 30.37 2k5p n GLU 33 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2k5p n TYR 34 N -1.63 0.00 -4.58 4.31 4.01 0.03 -5.01 117.16 114.30 2k5p n TYR 34 Ca 0.06 -1.09 -0.33 0.00 -0.16 0.00 0.00 57.90 56.38 2k5p n TYR 34 Cb 0.34 -0.17 -0.12 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.92 3.60 -1.12 -0.72 0.11 -0.84 -5.04 120.40 113.47 2k5p s VAL 35 Ca 0.33 -0.48 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 2k5p s VAL 35 Cb 0.30 -2.52 -0.01 0.00 -1.53 0.00 0.00 36.38 32.62 2k5p s VAL 35 CO 0.01 0.54 1.78 -0.89 -3.33 0.00 0.00 175.10 173.21 2k5p s THR 36 N -0.06 3.76 -0.41 5.04 2.01 -1.26 -4.93 115.64 119.79 2k5p s THR 36 Ca 0.00 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.80 2k5p s THR 36 Cb -0.13 -4.73 0.02 0.00 0.01 0.00 0.00 72.50 67.67 2k5p s THR 36 CO 0.03 -1.47 0.33 0.68 -0.69 0.00 0.00 174.62 173.51 2k5p s VAL 37 N 7.67 5.22 -0.19 3.82 -7.23 -1.26 -4.16 120.40 124.27 2k5p s VAL 37 Ca 0.60 -0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2k5p s VAL 37 Cb -0.01 -3.95 0.02 0.00 0.56 0.00 0.00 36.38 33.00 2k5p s VAL 37 CO 0.04 -0.32 -0.16 -1.83 -0.31 0.00 0.00 175.10 172.51 2k5p s GLU 38 N 1.80 3.05 -0.45 4.82 -1.05 -0.97 -2.53 118.70 123.36 2k5p s GLU 38 Ca 0.07 -0.80 -0.28 0.00 -0.15 0.00 0.00 54.97 53.80 2k5p s GLU 38 Cb -0.18 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 2k5p s GLU 38 CO 0.11 -0.22 1.54 -1.17 0.95 0.00 0.00 175.26 176.47 2k5p s LEU 39 N 1.33 3.49 -1.21 1.83 1.98 0.58 -1.79 118.68 124.89 2k5p s LEU 39 Ca 0.05 0.74 0.00 0.00 -2.89 0.00 0.00 54.13 52.02 2k5p s LEU 39 Cb -0.14 -3.30 0.00 0.00 0.66 0.00 0.00 46.19 43.41 2k5p s LEU 39 CO -0.11 -1.66 0.00 0.59 -1.89 0.00 0.00 176.35 173.28 2k5p n ASN 40 N 9.74 -5.30 0.00 3.68 5.03 0.97 -1.41 115.26 127.97 2k5p n ASN 40 Ca 0.17 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.90 2k5p n ASN 40 Cb 0.48 -4.03 0.00 0.00 -1.02 0.00 0.00 39.78 35.22 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 0.17 1.38 2.79 7.41 0.00 -1.19 -5.07 105.19 110.70 2k5p n GLY 41 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.21 0.93 0.40 1.61 2.12 -0.50 -5.04 118.70 118.01 2k5p s GLU 42 Ca 0.00 -0.55 -0.27 0.00 0.36 0.00 0.00 54.97 54.51 2k5p s GLU 42 Cb 0.00 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 32.10 2k5p s GLU 42 CO 0.00 -0.61 1.34 0.54 -0.54 0.00 0.00 175.26 175.99 2k5p s VAL 43 N 1.73 2.49 0.06 3.70 0.11 -1.26 -0.30 120.40 126.92 2k5p s VAL 43 Ca -0.02 0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 59.37 2k5p s VAL 43 Cb -0.17 -3.27 -0.06 0.00 -1.53 0.00 0.00 36.38 31.35 2k5p s VAL 43 CO -0.07 0.08 0.40 -0.76 -3.33 0.00 0.00 175.10 171.41 2k5p s LEU 44 N -2.32 4.38 0.55 2.54 2.01 -1.05 -4.88 118.68 119.91 2k5p s LEU 44 Ca 0.56 0.83 -0.16 0.00 0.01 0.00 0.00 54.13 55.36 2k5p s LEU 44 Cb -0.40 -2.87 -0.06 0.00 0.01 0.00 0.00 46.19 42.87 2k5p s LEU 44 CO 0.52 0.21 1.02 -0.70 1.01 0.00 0.00 176.35 178.42 2k5p s GLU 45 N -1.69 3.68 0.31 1.70 2.56 -1.26 -4.90 118.70 119.10 2k5p s GLU 45 Ca 0.30 1.07 0.07 0.00 0.00 0.00 0.00 54.97 56.42 2k5p s GLU 45 Cb -0.15 -2.09 0.83 0.00 2.00 0.00 0.00 34.13 34.72 2k5p s GLU 45 CO 0.17 -0.51 1.72 0.00 -0.56 0.00 0.00 175.26 176.08 2k5p h ARG 46 N 0.73 0.49 -0.51 4.30 3.08 -1.98 0.45 114.38 120.95 2k5p h ARG 46 Ca -0.47 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.44 2k5p h ARG 46 Cb 1.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2k5p h ARG 46 CO 0.60 0.33 -0.11 1.49 -1.07 0.00 0.00 179.97 181.20 2k5p h GLU 47 N 0.51 0.97 -0.02 0.04 4.81 -2.04 -3.14 114.58 115.71 2k5p h GLU 47 Ca 0.61 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2k5p h GLU 47 Cb 1.17 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2k5p h GLU 47 CO -0.50 1.04 0.03 0.00 -0.73 0.00 0.00 179.01 178.84 2k5p h ALA 48 N 0.90 1.44 -0.91 2.92 0.00 -0.47 -2.24 119.26 120.90 2k5p h ALA 48 Ca 0.13 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.24 2k5p h ALA 48 Cb 0.67 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 2k5p h ALA 48 CO 0.05 -0.03 0.46 0.74 0.00 0.00 0.00 179.25 180.46 2k5p h PHE 49 N 0.00 0.78 0.00 0.00 -1.00 -1.36 0.34 116.94 115.70 2k5p h PHE 49 Ca 0.01 0.04 -0.23 0.00 2.81 0.00 0.00 57.97 60.60 2k5p h PHE 49 Cb 0.06 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 2k5p h PHE 49 CO 0.00 0.06 -1.18 -0.44 -1.61 0.00 0.00 178.31 175.14 2k5p h ASP 50 N 0.52 0.00 1.27 2.17 3.32 -1.62 -0.70 116.42 121.38 2k5p h ASP 50 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2k5p h ASP 50 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2k5p h ASP 50 CO -0.46 0.99 -0.31 0.00 -1.72 0.00 0.00 179.24 177.73 2k5p h ALA 51 N 1.01 0.80 -3.04 3.45 0.00 -1.20 -3.45 119.26 116.83 2k5p h ALA 51 Ca -0.08 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.19 2k5p h ALA 51 Cb 1.82 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.42 2k5p h ALA 51 CO 0.11 0.00 -0.59 0.99 0.00 0.00 0.00 179.25 179.77 2k5p s THR 52 N -3.16 4.66 -0.32 0.00 2.01 0.11 -5.06 115.64 113.88 2k5p s THR 52 Ca 0.08 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 2k5p s THR 52 Cb 0.12 -3.16 0.04 0.00 0.01 0.00 0.00 72.50 69.50 2k5p s THR 52 CO 0.67 0.36 0.06 -0.89 -0.69 0.00 0.00 174.62 174.13 2k5p s THR 53 N 1.26 3.54 -0.17 -0.82 2.01 -1.26 -1.07 115.64 119.12 2k5p s THR 53 Ca 0.05 -1.14 -0.25 0.00 0.31 0.00 0.00 61.69 60.66 2k5p s THR 53 Cb -0.14 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 2k5p s THR 53 CO 0.04 -0.11 0.82 -0.69 -0.69 0.00 0.00 174.62 174.00 2k5p s VAL 54 N 1.37 4.89 0.22 3.82 1.01 0.21 -4.90 120.40 127.01 2k5p s VAL 54 Ca -0.02 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.60 2k5p s VAL 54 Cb -0.19 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2k5p s VAL 54 CO 0.01 0.03 0.11 2.29 0.00 0.00 0.00 175.10 177.54 2k5p n LYS 55 N 5.21 0.58 -1.71 2.72 2.85 -1.26 -1.20 118.16 125.35 2k5p n LYS 55 Ca 0.04 -1.91 -0.43 0.00 -1.05 0.00 0.00 58.31 54.96 2k5p n LYS 55 Cb 0.49 1.20 -0.03 0.00 -0.65 0.00 0.00 35.03 36.03 2k5p n LYS 55 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k5p n ASP 56 N -1.92 3.85 -0.79 -5.58 2.03 -1.24 -2.92 116.55 109.97 2k5p n ASP 56 Ca -0.01 1.06 -0.01 0.00 0.52 0.00 0.00 54.79 56.35 2k5p n ASP 56 Cb 0.34 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 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 3.90 0.75 1.20 0.27 0.00 0.16 -4.78 105.19 106.69 2k5p n GLY 57 Ca 0.16 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 0.65 2.43 -3.50 1.61 -0.08 -0.47 -5.01 116.55 112.18 2k5p n ASP 58 Ca -0.00 -1.73 -0.23 0.00 -1.51 0.00 0.00 54.79 51.32 2k5p n ASP 58 Cb 0.51 0.11 -0.13 0.00 2.34 0.00 0.00 41.12 43.94 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 -2.29 0.13 -0.45 -1.67 0.00 -1.26 -0.73 121.76 115.50 2k5p s ALA 59 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 2k5p s ALA 59 Cb -0.00 -1.46 0.12 0.00 0.00 0.00 0.00 23.12 21.77 2k5p s ALA 59 CO 0.00 -1.55 0.29 0.54 0.00 0.00 0.00 175.76 175.05 2k5p s VAL 60 N 2.22 3.87 -0.54 0.00 0.11 -1.02 -0.02 120.40 125.02 2k5p s VAL 60 Ca 0.08 -1.88 -0.28 0.00 -2.93 0.00 0.00 61.98 56.97 2k5p s VAL 60 Cb -0.15 -3.58 0.02 0.00 -1.53 0.00 0.00 36.38 31.13 2k5p s VAL 60 CO -0.29 -0.74 1.37 -1.61 -3.33 0.00 0.00 175.10 170.50 2k5p s GLU 61 N 1.28 3.38 -0.36 1.54 0.41 -0.74 -4.28 118.70 119.93 2k5p s GLU 61 Ca 0.07 0.48 0.03 0.00 -0.41 0.00 0.00 54.97 55.14 2k5p s GLU 61 Cb -0.25 -4.09 0.10 0.00 -1.78 0.00 0.00 34.13 28.12 2k5p s GLU 61 CO -0.02 -1.84 0.08 0.12 -0.49 0.00 0.00 175.26 173.12 2k5p s PHE 62 N 5.76 3.71 0.01 1.61 2.19 -1.26 -2.30 117.98 127.70 2k5p s PHE 62 Ca 0.52 -2.95 0.02 0.00 0.33 0.00 0.00 56.93 54.86 2k5p s PHE 62 Cb -0.10 -2.96 -0.01 0.00 -1.31 0.00 0.00 43.02 38.63 2k5p s PHE 62 CO 0.26 -0.94 -0.08 -0.48 1.83 0.00 0.00 175.22 175.81 2k5p s LEU 63 N 0.85 2.09 -0.32 6.12 2.34 -1.26 -4.76 118.68 123.74 2k5p s LEU 63 Ca 0.11 -0.26 0.00 0.00 0.06 0.00 0.00 54.13 54.04 2k5p s LEU 63 Cb -0.20 -0.34 0.00 0.00 -0.56 0.00 0.00 46.19 45.09 2k5p s LEU 63 CO -0.07 0.01 0.00 -1.22 -1.06 0.00 0.00 176.35 174.01 2k5p n TYR 64 N 2.45 0.00 -4.36 3.48 4.01 -1.26 -4.76 117.16 116.72 2k5p n TYR 64 Ca -0.16 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 2k5p n TYR 64 Cb 0.57 -1.53 -0.10 0.00 -0.31 0.00 0.00 39.34 37.97 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 -1.62 1.67 -0.05 -0.72 0.08 -1.26 -5.08 117.98 111.00 2k5p s PHE 65 Ca 0.00 -0.83 -0.30 0.00 0.12 0.00 0.00 56.93 55.92 2k5p s PHE 65 Cb 0.00 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2k5p s PHE 65 CO 0.00 0.08 1.30 1.41 -0.10 0.00 0.00 175.22 177.91 2k5p s MET 66 N -3.81 4.30 0.15 0.44 -2.45 -1.26 -4.82 119.30 111.86 2k5p s MET 66 Ca 0.28 1.81 0.00 0.00 -1.25 0.00 0.00 55.69 56.52 2k5p s MET 66 Cb 0.05 -3.60 0.00 0.00 1.25 0.00 0.00 34.83 32.52 2k5p s MET 66 CO 0.09 -0.54 0.00 0.41 1.05 0.00 0.00 175.02 176.03 2k5p n GLY 67 N 3.53 -0.41 3.00 2.11 0.00 -1.26 -4.93 105.19 107.23 2k5p n GLY 67 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.75 -1.29 0.89 -0.02 0.00 -1.26 -4.93 105.19 99.32 2k5p n GLY 68 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.69 3.31 -0.02 0.00 -1.26 -5.11 105.19 100.42 2k5p n GLY 69 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 2k5p n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5p s LYS 70 N -0.74 1.63 -0.91 1.61 -2.85 -1.26 -5.04 119.74 112.17 2k5p s LYS 70 Ca 0.00 -1.06 -0.03 0.00 -1.00 0.00 0.00 55.97 53.88 2k5p s LYS 70 Cb 0.00 -1.80 0.25 0.00 -2.06 0.00 0.00 37.83 34.22 2k5p s LYS 70 CO 0.00 0.46 2.17 1.28 0.10 0.00 0.00 175.35 179.36 2k5p n LEU 71 N 1.76 7.37 -3.83 2.77 7.99 -1.26 -4.93 117.00 126.88 2k5p n LEU 71 Ca -0.17 -4.87 -0.42 0.00 -0.01 0.00 0.00 56.01 50.54 2k5p n LEU 71 Cb 0.52 -1.18 -0.02 0.00 -0.11 0.00 0.00 43.42 42.63 2k5p n LEU 71 CO 0.23 1.90 2.37 1.21 -1.51 0.00 0.00 177.39 181.58 2k5p n GLU 72 N 0.27 2.38 -4.11 3.23 2.13 -1.26 -4.57 120.64 118.71 2k5p n GLU 72 Ca 0.52 -2.41 -0.42 0.00 0.66 0.00 0.00 57.16 55.51 2k5p n GLU 72 Cb 0.30 -3.21 -0.00 0.00 0.27 0.00 0.00 31.44 28.80 2k5p n GLU 72 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2k5p n HIS 73 N 7.24 -1.27 -1.92 4.31 -0.00 -1.26 -4.88 115.22 117.43 2k5p n HIS 73 Ca 0.51 0.14 -0.32 0.00 -0.00 0.00 0.00 57.72 58.04 2k5p n HIS 73 Cb 0.41 -2.62 0.02 0.00 -0.00 0.00 0.00 29.99 27.80 2k5p n HIS 73 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5p s HIS 74 N -3.74 2.93 -0.16 1.57 -3.43 -1.26 -4.93 115.29 106.27 2k5p s HIS 74 Ca 0.38 1.51 -0.29 0.00 -0.80 0.00 0.00 55.06 55.86 2k5p s HIS 74 Cb -0.21 -3.02 -0.06 0.00 -1.43 0.00 0.00 32.58 27.86 2k5p s HIS 74 CO 0.93 -1.24 2.06 -1.58 -2.00 0.00 0.00 174.74 172.92 2k5p s HIS 75 N -2.52 1.33 0.24 0.38 2.46 -1.26 -4.96 115.29 110.96 2k5p s HIS 75 Ca 0.63 0.27 -0.28 0.00 0.47 0.00 0.00 55.06 56.16 2k5p s HIS 75 Cb -0.16 -4.03 -0.09 0.00 -0.13 0.00 0.00 32.58 28.16 2k5p s HIS 75 CO 0.40 -4.30 0.89 -3.38 -2.47 0.00 0.00 174.74 165.88 2k5p s HIS 76 N 6.86 3.89 -0.30 3.88 -3.43 -1.26 -5.05 115.29 119.88 2k5p s HIS 76 Ca 0.93 1.80 -0.23 0.00 -0.80 0.00 0.00 55.06 56.75 2k5p s HIS 76 Cb -0.34 -2.90 0.19 0.00 -1.43 0.00 0.00 32.58 28.10 2k5p s HIS 76 CO 0.36 0.41 1.39 -1.58 -2.00 0.00 0.00 174.74 173.32 2k5p s HIS 77 N -1.29 -0.08 0.00 0.38 5.04 -1.26 -5.33 115.29 112.75 2k5p s HIS 77 Ca 0.42 0.19 0.00 0.00 -1.54 0.00 0.00 55.06 54.13 2k5p s HIS 77 Cb -0.23 0.41 0.00 0.00 0.04 0.00 0.00 32.58 32.80 2k5p s HIS 77 CO 0.28 -0.04 0.33 -2.39 -2.34 0.00 0.00 174.74 170.59