#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 6.14 -0.11 3.17 0.01 -1.26 -1.80 114.94 121.09 2k5p s ASN 2 Ca 0.00 0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.33 2k5p s ASN 2 Cb 0.00 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.54 2k5p s ASN 2 CO 0.00 0.03 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.63 2k5p s LEU 3 N 1.18 2.15 -1.34 0.60 2.01 0.43 -1.23 118.68 122.49 2k5p s LEU 3 Ca 0.09 -0.55 -0.16 0.00 0.01 0.00 0.00 54.13 53.52 2k5p s LEU 3 Cb -0.14 -1.43 0.02 0.00 0.01 0.00 0.00 46.19 44.65 2k5p s LEU 3 CO 0.06 0.15 2.06 0.41 1.01 0.00 0.00 176.35 180.03 2k5p n THR 4 N 3.62 3.37 -2.14 5.49 -1.04 0.57 -1.10 114.28 123.05 2k5p n THR 4 Ca -0.19 -3.12 -0.43 0.00 -2.04 0.00 0.00 64.05 58.27 2k5p n THR 4 Cb 0.53 -2.50 -0.02 0.00 -1.82 0.00 0.00 70.33 66.52 2k5p n THR 4 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k5p s VAL 5 N 3.95 3.66 -2.14 12.58 0.11 0.20 -2.73 120.40 136.04 2k5p s VAL 5 Ca 0.51 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 2k5p s VAL 5 Cb 0.11 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 2k5p s VAL 5 CO -0.02 -0.53 0.00 0.59 -3.33 0.00 0.00 175.10 171.81 2k5p n ASN 6 N 9.55 -5.52 0.00 3.54 3.02 -1.17 -0.53 115.26 124.16 2k5p n ASN 6 Ca 0.20 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 2k5p n ASN 6 Cb 0.47 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 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 -0.48 0.51 3.76 7.41 0.00 -1.10 -5.05 105.19 110.24 2k5p n GLY 7 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.86 3.54 -0.61 1.61 3.01 0.31 -5.03 119.74 121.72 2k5p s LYS 8 Ca 0.00 -0.26 -0.28 0.00 -1.01 0.00 0.00 55.97 54.42 2k5p s LYS 8 Cb 0.00 -3.13 0.03 0.00 -1.01 0.00 0.00 37.83 33.72 2k5p s LYS 8 CO 0.00 0.59 1.25 -1.25 0.51 0.00 0.00 175.35 176.45 2k5p s PRO 9 N -0.51 3.40 0.17 -1.68 0.04 -1.26 0.62 135.00 135.78 2k5p s PRO 9 Ca 0.11 0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.41 2k5p s PRO 9 Cb -0.12 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 2k5p s PRO 9 CO 0.02 -1.83 -0.09 0.45 0.04 0.00 0.00 177.00 175.58 2k5p s SER 10 N 3.39 4.30 -0.14 6.66 0.15 -0.26 -4.97 113.70 122.83 2k5p s SER 10 Ca 0.43 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 2k5p s SER 10 Cb -0.08 -0.75 0.05 0.00 -1.71 0.00 0.00 66.02 63.52 2k5p s SER 10 CO 0.23 0.12 0.03 -0.89 1.20 0.00 0.00 173.24 173.92 2k5p s THR 11 N -1.60 0.40 -0.40 6.45 2.01 -1.26 -0.42 115.64 120.81 2k5p s THR 11 Ca 0.24 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 2k5p s THR 11 Cb -0.09 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.66 2k5p s THR 11 CO 0.15 -0.01 0.54 0.68 -0.69 0.00 0.00 174.62 175.29 2k5p s VAL 12 N 1.94 4.96 0.52 3.82 -7.23 -0.75 -4.95 120.40 118.71 2k5p s VAL 12 Ca 0.02 0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 60.09 2k5p s VAL 12 Cb -0.15 -4.07 -0.06 0.00 0.56 0.00 0.00 36.38 32.66 2k5p s VAL 12 CO -0.07 -0.40 1.16 -0.62 -0.31 0.00 0.00 175.10 174.87 2k5p s ASP 13 N 1.86 5.79 0.00 4.85 2.15 -1.26 -0.27 116.67 129.79 2k5p s ASP 13 Ca 0.19 2.28 0.00 0.00 0.43 0.00 0.00 52.55 55.44 2k5p s ASP 13 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 2k5p s ASP 13 CO 0.15 -1.18 0.00 0.61 -0.17 0.00 0.00 175.17 174.59 2k5p n GLY 14 N 0.33 1.81 3.56 2.66 0.00 -1.26 -4.80 105.19 107.50 2k5p n GLY 14 Ca 0.10 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 1.57 -0.10 4.61 0.00 -1.25 -4.76 120.51 120.59 2k5p n ALA 15 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 2k5p n ALA 15 Cb 0.00 -2.81 -0.06 0.00 0.00 0.00 0.00 19.45 16.58 2k5p n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5p n GLU 16 N 8.53 0.53 -3.61 0.00 1.02 -1.26 0.17 120.64 126.02 2k5p n GLU 16 Ca 0.33 0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 57.70 2k5p n GLU 16 Cb 0.38 -1.61 -0.15 0.00 -0.02 0.00 0.00 31.44 30.04 2k5p n GLU 16 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k5p s SER 17 N -6.41 1.15 0.21 1.62 1.04 -1.26 -3.00 113.70 107.05 2k5p s SER 17 Ca -0.26 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.02 2k5p s SER 17 Cb 0.06 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.45 2k5p s SER 17 CO 0.42 -0.28 0.59 -1.48 0.98 0.00 0.00 173.24 173.47 2k5p s LEU 18 N 2.28 -0.15 0.85 2.42 0.05 -0.52 -4.99 118.68 118.62 2k5p s LEU 18 Ca 0.04 -0.43 -0.11 0.00 0.05 0.00 0.00 54.13 53.68 2k5p s LEU 18 Cb -0.14 2.39 0.10 0.00 -2.05 0.00 0.00 46.19 46.50 2k5p s LEU 18 CO -0.08 -1.12 1.11 0.20 -0.55 0.00 0.00 176.35 175.91 2k5p s ASN 19 N -2.87 3.72 0.25 1.48 0.01 -1.26 0.39 114.94 116.66 2k5p s ASN 19 Ca 0.08 1.89 -0.05 0.00 -0.71 0.00 0.00 52.86 54.08 2k5p s ASN 19 Cb -0.02 -2.49 0.37 0.00 0.41 0.00 0.00 41.25 39.52 2k5p s ASN 19 CO -0.02 -2.55 1.83 0.58 -1.51 0.00 0.00 177.10 175.44 2k5p h VAL 20 N -1.48 0.98 -0.32 1.60 2.07 0.11 0.23 116.25 119.44 2k5p h VAL 20 Ca -0.45 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2k5p h VAL 20 Cb 1.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2k5p h VAL 20 CO 0.48 0.16 0.18 0.74 0.02 0.00 0.00 177.57 179.15 2k5p h THR 21 N 0.90 1.02 -0.10 2.57 2.02 -1.42 0.22 112.91 118.11 2k5p h THR 21 Ca 0.39 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 2k5p h THR 21 Cb 0.27 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2k5p h THR 21 CO -0.21 0.07 -0.23 -0.33 0.37 0.00 0.00 175.52 175.18 2k5p h GLU 22 N 0.36 0.18 -0.22 6.66 5.08 -1.59 -1.48 114.58 123.57 2k5p h GLU 22 Ca 0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k5p h GLU 22 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k5p h GLU 22 CO -0.07 0.41 0.02 1.25 -1.00 0.00 0.00 179.01 179.62 2k5p h LEU 23 N 0.16 0.35 -1.38 1.33 6.46 -0.08 -1.24 115.31 120.91 2k5p h LEU 23 Ca 0.03 -0.27 0.08 0.00 -0.12 0.00 0.00 57.88 57.60 2k5p h LEU 23 Cb 0.51 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 2k5p h LEU 23 CO 0.03 0.54 0.49 -0.07 -0.62 0.00 0.00 178.44 178.81 2k5p h LEU 24 N 0.15 0.64 0.46 2.25 3.38 -0.53 0.86 115.31 122.51 2k5p h LEU 24 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k5p h LEU 24 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k5p h LEU 24 CO 0.01 0.39 -0.22 -1.28 0.09 0.00 0.00 178.44 177.43 2k5p h SER 25 N 0.72 -0.52 -0.69 -0.43 0.87 -1.00 1.00 113.55 113.49 2k5p h SER 25 Ca 0.34 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2k5p h SER 25 Cb 0.37 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2k5p h SER 25 CO -0.12 -0.21 0.45 0.00 -0.53 0.00 0.00 176.83 176.42 2k5p h ALA 26 N -0.42 1.49 0.00 6.23 0.00 -0.82 -1.63 119.26 124.11 2k5p h ALA 26 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2k5p h ALA 26 Cb 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k5p h ALA 26 CO 0.10 0.46 -0.28 1.25 0.00 0.00 0.00 179.25 180.79 2k5p h LEU 27 N 0.94 0.00 -2.37 0.00 5.85 -0.87 -3.49 115.31 115.36 2k5p h LEU 27 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2k5p h LEU 27 Cb -0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2k5p h LEU 27 CO -0.05 0.28 -0.49 1.17 -0.34 0.00 0.00 178.44 179.00 2k5p n LYS 28 N -3.18 -2.18 -3.53 1.25 0.00 0.28 -5.02 118.16 105.78 2k5p n LYS 28 Ca 0.03 1.97 -0.31 0.00 0.00 0.00 0.00 58.31 60.00 2k5p n LYS 28 Cb 0.64 -4.99 -0.04 0.00 0.00 0.00 0.00 35.03 30.63 2k5p n LYS 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k5p s VAL 29 N -2.20 5.07 0.20 3.15 0.11 -0.83 -5.01 120.40 120.88 2k5p s VAL 29 Ca 0.18 0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 2k5p s VAL 29 Cb -0.05 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 31.09 2k5p s VAL 29 CO 0.65 -0.09 1.50 0.00 -3.33 0.00 0.00 175.10 173.84 2k5p h ALA 30 N 2.42 0.71 -3.84 1.54 0.00 -1.95 -3.44 119.26 114.70 2k5p h ALA 30 Ca -0.47 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 53.37 2k5p h ALA 30 Cb 1.17 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.57 2k5p h ALA 30 CO 0.70 0.70 -0.83 -0.65 0.00 0.00 0.00 179.25 179.17 2k5p s GLN 31 N -3.89 1.67 0.00 0.00 -1.52 -1.26 -5.02 119.66 109.64 2k5p s GLN 31 Ca -0.06 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.79 2k5p s GLN 31 Cb 0.11 -1.46 0.00 0.00 -0.22 0.00 0.00 33.01 31.45 2k5p s GLN 31 CO 0.83 0.21 0.87 0.00 -0.25 0.00 0.00 175.29 176.95 2k5p n ALA 32 N 3.23 1.82 0.00 6.09 0.00 -1.26 -4.46 120.51 125.93 2k5p n ALA 32 Ca -0.18 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2k5p n ALA 32 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2k5p n ALA 32 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k5p n GLU 33 N -0.38 0.00 0.14 0.00 0.00 -1.26 -4.81 120.64 114.34 2k5p n GLU 33 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 2k5p n GLU 33 Cb 0.28 -0.48 0.07 0.00 0.00 0.00 0.00 31.44 31.31 2k5p n GLU 33 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2k5p h TYR 34 N 0.00 0.00 -2.86 -1.84 -1.99 -1.99 -3.47 116.97 104.82 2k5p h TYR 34 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 2k5p h TYR 34 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 2k5p h TYR 34 CO 0.00 0.00 0.86 0.54 -0.00 0.00 0.00 178.16 179.56 2k5p s VAL 35 N -3.30 3.42 -0.55 -2.88 0.11 -1.26 -4.99 120.40 110.95 2k5p s VAL 35 Ca 0.02 0.88 -0.13 0.00 -2.93 0.00 0.00 61.98 59.82 2k5p s VAL 35 Cb 0.08 -3.56 0.14 0.00 -1.53 0.00 0.00 36.38 31.50 2k5p s VAL 35 CO 0.74 0.01 0.47 -0.89 -3.33 0.00 0.00 175.10 172.11 2k5p s THR 36 N 2.19 4.89 -0.62 5.04 2.01 -1.26 -5.00 115.64 122.89 2k5p s THR 36 Ca 0.67 -1.72 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 2k5p s THR 36 Cb -0.35 -4.15 0.16 0.00 0.01 0.00 0.00 72.50 68.17 2k5p s THR 36 CO 0.29 -0.86 0.53 0.68 -0.69 0.00 0.00 174.62 174.57 2k5p s VAL 37 N 1.35 4.85 -0.75 3.82 -7.23 -1.26 -2.41 120.40 118.77 2k5p s VAL 37 Ca 0.06 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 2k5p s VAL 37 Cb -0.27 -4.10 0.15 0.00 0.56 0.00 0.00 36.38 32.72 2k5p s VAL 37 CO 0.01 -0.89 0.82 -1.83 -0.31 0.00 0.00 175.10 172.89 2k5p s GLU 38 N 0.89 3.36 -0.20 4.82 -1.05 -0.86 -4.17 118.70 121.50 2k5p s GLU 38 Ca 0.10 -1.82 -0.29 0.00 -0.15 0.00 0.00 54.97 52.81 2k5p s GLU 38 Cb -0.22 -4.48 -0.03 0.00 -0.44 0.00 0.00 34.13 28.96 2k5p s GLU 38 CO -0.02 -1.51 1.68 -0.48 0.95 0.00 0.00 175.26 175.88 2k5p s LEU 39 N 1.80 3.90 -1.40 1.83 0.05 -0.89 -2.38 118.68 121.60 2k5p s LEU 39 Ca 0.18 1.71 -0.09 0.00 0.05 0.00 0.00 54.13 55.98 2k5p s LEU 39 Cb -0.15 -3.53 0.02 0.00 -2.05 0.00 0.00 46.19 40.48 2k5p s LEU 39 CO -0.03 -1.29 1.10 0.59 -0.55 0.00 0.00 176.35 176.18 2k5p n ASN 40 N 8.60 -6.18 -2.22 1.48 3.02 0.33 -2.82 115.26 117.48 2k5p n ASN 40 Ca 0.20 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 54.11 2k5p n ASN 40 Cb 0.45 -4.88 0.05 0.00 -0.61 0.00 0.00 39.78 34.79 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 -1.93 0.05 2.90 7.41 0.00 -1.15 -5.05 105.19 107.43 2k5p n GLY 41 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.82 0.35 0.07 1.61 2.12 -1.13 -5.10 118.70 111.80 2k5p s GLU 42 Ca 0.04 0.46 -0.24 0.00 0.36 0.00 0.00 54.97 55.59 2k5p s GLU 42 Cb -0.02 -0.49 -0.06 0.00 0.26 0.00 0.00 34.13 33.82 2k5p s GLU 42 CO 0.37 -0.70 0.72 0.54 -0.54 0.00 0.00 175.26 175.65 2k5p s VAL 43 N 2.53 4.68 0.11 3.70 0.11 -1.26 -2.10 120.40 128.17 2k5p s VAL 43 Ca 0.12 1.53 0.02 0.00 -2.93 0.00 0.00 61.98 60.72 2k5p s VAL 43 Cb -0.15 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.60 2k5p s VAL 43 CO -0.18 0.43 0.20 -0.76 -3.33 0.00 0.00 175.10 171.46 2k5p s LEU 44 N -0.43 4.18 1.02 2.54 2.01 -1.26 -5.03 118.68 121.71 2k5p s LEU 44 Ca 0.35 0.13 -0.12 0.00 0.01 0.00 0.00 54.13 54.50 2k5p s LEU 44 Cb -0.21 -2.78 0.20 0.00 0.01 0.00 0.00 46.19 43.41 2k5p s LEU 44 CO 0.22 0.12 1.08 -1.61 1.01 0.00 0.00 176.35 177.17 2k5p s GLU 45 N -2.82 0.23 0.37 1.70 2.02 -1.26 -4.86 118.70 114.08 2k5p s GLU 45 Ca 0.33 0.57 0.05 0.00 0.02 0.00 0.00 54.97 55.94 2k5p s GLU 45 Cb -0.12 -1.71 0.74 0.00 0.10 0.00 0.00 34.13 33.15 2k5p s GLU 45 CO 0.26 -2.88 2.00 -0.09 0.02 0.00 0.00 175.26 174.57 2k5p h ARG 46 N -2.00 0.71 0.20 1.61 2.43 -1.95 -2.56 114.38 112.82 2k5p h ARG 46 Ca -0.55 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.30 2k5p h ARG 46 Cb 1.33 -0.16 0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2k5p h ARG 46 CO 0.56 0.47 -1.21 1.49 -1.51 0.00 0.00 179.97 179.77 2k5p h GLU 47 N 0.73 0.42 -0.03 0.20 4.57 -1.97 -3.36 114.58 115.15 2k5p h GLU 47 Ca 0.25 -0.72 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 2k5p h GLU 47 Cb 0.08 0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2k5p h GLU 47 CO -0.07 1.35 0.17 0.00 -1.18 0.00 0.00 179.01 179.28 2k5p h ALA 48 N 0.11 1.26 -0.66 2.92 0.00 -1.81 -0.35 119.26 120.74 2k5p h ALA 48 Ca -0.22 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2k5p h ALA 48 Cb 1.93 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2k5p h ALA 48 CO 0.21 -0.19 0.44 0.74 0.00 0.00 0.00 179.25 180.45 2k5p h PHE 49 N 0.00 0.50 0.06 0.00 0.04 -1.64 0.15 116.94 116.05 2k5p h PHE 49 Ca 0.01 0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.54 2k5p h PHE 49 Cb 0.36 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2k5p h PHE 49 CO 0.00 0.23 -1.23 0.22 -0.60 0.00 0.00 178.31 176.93 2k5p h ASP 50 N 0.47 0.21 0.92 2.17 3.58 -1.32 0.39 116.42 122.83 2k5p h ASP 50 Ca 0.31 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k5p h ASP 50 Cb 0.57 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2k5p h ASP 50 CO -0.09 1.19 -0.01 0.00 -2.88 0.00 0.00 179.24 177.44 2k5p n ALA 51 N -2.48 2.39 -3.59 -0.78 0.00 -0.39 -4.72 120.51 110.94 2k5p n ALA 51 Ca -0.07 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 2k5p n ALA 51 Cb 0.99 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.94 3.18 -0.22 0.00 2.01 0.38 -5.06 115.64 112.99 2k5p s THR 52 Ca 0.16 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 2k5p s THR 52 Cb 0.19 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2k5p s THR 52 CO 0.53 0.40 0.33 -0.89 -0.69 0.00 0.00 174.62 174.29 2k5p s THR 53 N 1.44 5.24 0.10 -0.82 2.01 -1.26 -0.75 115.64 121.60 2k5p s THR 53 Ca 0.05 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.60 2k5p s THR 53 Cb -0.14 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2k5p s THR 53 CO -0.04 0.27 0.20 -0.69 -0.69 0.00 0.00 174.62 173.66 2k5p s VAL 54 N 1.31 5.11 0.30 3.82 1.01 0.16 -4.92 120.40 127.19 2k5p s VAL 54 Ca 0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2k5p s VAL 54 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2k5p s VAL 54 CO 0.07 0.05 0.40 2.29 0.00 0.00 0.00 175.10 177.91 2k5p n LYS 55 N 0.04 0.58 -1.66 2.72 2.85 -1.26 -1.44 118.16 119.99 2k5p n LYS 55 Ca -0.07 -2.43 -0.44 0.00 -1.05 0.00 0.00 58.31 54.32 2k5p n LYS 55 Cb 0.52 2.30 -0.04 0.00 -0.65 0.00 0.00 35.03 37.17 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 -1.72 3.87 -0.04 -5.58 2.03 -1.16 -3.75 116.55 110.20 2k5p n ASP 56 Ca 0.01 0.85 0.00 0.00 0.52 0.00 0.00 54.79 56.17 2k5p n ASP 56 Cb 0.50 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 4.66 0.67 3.05 0.27 0.00 -0.36 -4.88 105.19 108.60 2k5p n GLY 57 Ca 0.22 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2k5p n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5p s ASP 58 N -1.47 0.51 -0.85 1.61 2.15 -1.18 -5.02 116.67 112.42 2k5p s ASP 58 Ca 0.00 -0.74 -0.04 0.00 0.43 0.00 0.00 52.55 52.20 2k5p s ASP 58 Cb 0.00 0.13 0.21 0.00 -0.30 0.00 0.00 42.92 42.96 2k5p s ASP 58 CO 0.00 -0.41 0.74 0.00 -0.17 0.00 0.00 175.17 175.32 2k5p s ALA 59 N -2.58 4.13 -0.52 3.66 0.00 -1.26 -0.32 121.76 124.87 2k5p s ALA 59 Ca -0.04 -3.65 -0.27 0.00 0.00 0.00 0.00 51.96 48.00 2k5p s ALA 59 Cb -0.02 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2k5p s ALA 59 CO -0.04 -2.16 1.08 0.14 0.00 0.00 0.00 175.76 174.77 2k5p s VAL 60 N -0.87 4.22 -0.90 0.00 -7.23 -1.25 -0.51 120.40 113.87 2k5p s VAL 60 Ca 0.24 0.84 -0.25 0.00 -1.81 0.00 0.00 61.98 61.01 2k5p s VAL 60 Cb -0.11 -4.60 0.02 0.00 0.56 0.00 0.00 36.38 32.25 2k5p s VAL 60 CO -0.09 -1.11 1.52 -1.61 -0.31 0.00 0.00 175.10 173.50 2k5p s GLU 61 N 4.40 3.24 -0.96 4.82 2.02 -1.00 -3.03 118.70 128.19 2k5p s GLU 61 Ca 0.41 -0.62 -0.24 0.00 0.02 0.00 0.00 54.97 54.54 2k5p s GLU 61 Cb -0.09 -4.94 0.05 0.00 0.10 0.00 0.00 34.13 29.25 2k5p s GLU 61 CO 0.26 -2.43 1.41 0.12 0.02 0.00 0.00 175.26 174.64 2k5p s PHE 62 N 6.35 2.48 0.09 1.61 2.19 -1.26 -2.02 117.98 127.42 2k5p s PHE 62 Ca 0.49 -0.68 -0.31 0.00 0.33 0.00 0.00 56.93 56.76 2k5p s PHE 62 Cb -0.04 -4.68 -0.08 0.00 -1.31 0.00 0.00 43.02 36.91 2k5p s PHE 62 CO 0.00 -1.97 1.50 -0.51 1.83 0.00 0.00 175.22 176.08 2k5p s LEU 63 N 5.12 4.36 -0.13 6.12 1.43 -1.01 -4.85 118.68 129.72 2k5p s LEU 63 Ca 0.44 2.38 0.08 0.00 -1.03 0.00 0.00 54.13 56.00 2k5p s LEU 63 Cb -0.02 -3.58 0.46 0.00 0.03 0.00 0.00 46.19 43.09 2k5p s LEU 63 CO -0.05 -0.76 1.21 0.00 0.23 0.00 0.00 176.35 176.98 2k5p n TYR 64 N 4.70 1.14 0.24 0.29 0.18 -1.26 -4.52 117.16 117.94 2k5p n TYR 64 Ca 0.13 -0.40 0.12 0.00 1.88 0.00 0.00 57.90 59.64 2k5p n TYR 64 Cb 0.41 -0.31 0.67 0.00 -0.38 0.00 0.00 39.34 39.72 2k5p n TYR 64 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2k5p h PHE 65 N 2.27 0.00 -0.09 -3.48 -0.00 -1.91 0.22 116.94 113.94 2k5p h PHE 65 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.92 2k5p h PHE 65 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.23 2k5p h PHE 65 CO 0.60 0.00 -0.17 0.52 -0.00 0.00 0.00 178.31 179.26 2k5p h MET 66 N 0.00 0.15 0.00 6.09 2.86 -1.96 -3.46 114.93 118.61 2k5p h MET 66 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2k5p h MET 66 Cb 0.43 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k5p h MET 66 CO 0.00 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.70 2k5p n GLY 67 N -0.88 0.40 3.05 8.32 0.00 0.06 -5.17 105.19 110.97 2k5p n GLY 67 Ca -0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 2k5p n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5p s GLY 68 N 0.00 0.22 0.00 -0.02 0.00 -1.17 -4.97 107.32 101.38 2k5p s GLY 68 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2k5p s GLY 68 CO 0.00 -0.70 0.00 0.61 0.00 0.00 0.00 173.10 173.01 2k5p n GLY 69 N 1.13 0.18 3.56 0.20 0.00 -1.26 -4.87 105.19 104.13 2k5p n GLY 69 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2k5p n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5p s LYS 70 N 0.00 2.41 -0.22 1.61 2.36 -1.26 -4.92 119.74 119.72 2k5p s LYS 70 Ca 0.00 0.33 0.00 0.00 -2.55 0.00 0.00 55.97 53.75 2k5p s LYS 70 Cb 0.00 -4.73 0.06 0.00 -1.05 0.00 0.00 37.83 32.11 2k5p s LYS 70 CO 0.00 -3.27 -0.04 -0.51 1.55 0.00 0.00 175.35 173.07 2k5p s LEU 71 N 10.57 2.26 0.44 5.43 1.43 -1.26 -5.12 118.68 132.44 2k5p s LEU 71 Ca 0.75 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2k5p s LEU 71 Cb -0.11 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 2k5p s LEU 71 CO 0.11 -0.23 0.10 -1.61 0.23 0.00 0.00 176.35 174.94 2k5p s GLU 72 N 1.48 2.02 0.09 1.70 2.02 -1.26 -5.11 118.70 119.65 2k5p s GLU 72 Ca -0.04 -2.26 -0.33 0.00 0.02 0.00 0.00 54.97 52.36 2k5p s GLU 72 Cb -0.18 -0.87 -0.12 0.00 0.10 0.00 0.00 34.13 33.06 2k5p s GLU 72 CO -0.07 -0.46 1.73 -2.39 0.02 0.00 0.00 175.26 174.09 2k5p n HIS 73 N -1.03 2.40 -1.74 1.61 1.44 -1.26 -4.83 115.22 111.81 2k5p n HIS 73 Ca -0.10 0.08 -0.18 0.00 -2.01 0.00 0.00 57.72 55.51 2k5p n HIS 73 Cb 0.65 -2.63 -0.08 0.00 0.12 0.00 0.00 29.99 28.06 2k5p n HIS 73 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5p s HIS 74 N 2.20 1.39 0.22 -1.40 2.46 -1.26 -4.58 115.29 114.32 2k5p s HIS 74 Ca 0.83 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.98 2k5p s HIS 74 Cb -0.62 -3.60 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 2k5p s HIS 74 CO 0.41 -1.34 0.00 0.72 -2.47 0.00 0.00 174.74 172.06 2k5p n HIS 75 N 17.47 -1.42 -2.23 3.88 -0.00 -1.26 -4.77 115.22 126.88 2k5p n HIS 75 Ca 0.44 0.78 -0.41 0.00 -0.00 0.00 0.00 57.72 58.52 2k5p n HIS 75 Cb 0.45 -1.29 -0.03 0.00 -0.00 0.00 0.00 29.99 29.12 2k5p n HIS 75 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5p s HIS 76 N -3.26 2.07 0.00 4.41 2.46 -1.26 -4.96 115.29 114.75 2k5p s HIS 76 Ca 0.00 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2k5p s HIS 76 Cb 0.00 -4.27 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 2k5p s HIS 76 CO 0.00 -2.24 0.00 0.72 -2.47 0.00 0.00 174.74 170.75 2k5p n HIS 77 N 10.27 0.00 0.60 3.88 8.25 -1.26 -5.24 115.22 131.72 2k5p n HIS 77 Ca 0.17 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 2k5p n HIS 77 Cb 0.49 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.66 2k5p n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56