#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2z s THR 38 N 0.00 0.14 -0.01 1.96 -4.23 -1.26 -5.08 115.64 107.17 2k2z s THR 38 Ca 0.00 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 2k2z s THR 38 Cb 0.00 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 2k2z s THR 38 CO 0.00 -0.66 -0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2k2z n GLY 39 N 0.41 -0.03 3.98 3.99 0.00 -1.26 -5.06 105.19 107.21 2k2z n GLY 39 Ca -0.17 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2k2z n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2z n LYS 41 N -2.62 4.14 0.00 0.00 5.02 -1.26 -5.06 118.16 118.39 2k2z n LYS 41 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2k2z n LYS 41 Cb 0.60 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 2k2z n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k2z n GLY 42 N 0.44 1.92 0.10 0.72 0.00 -1.26 -4.86 105.19 102.26 2k2z n GLY 42 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k2z n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k2z n LYS 43 N -2.00 0.54 0.00 1.61 3.00 -1.26 -4.46 118.16 115.59 2k2z n LYS 43 Ca 0.00 0.26 0.10 0.00 -0.00 0.00 0.00 58.31 58.67 2k2z n LYS 43 Cb 0.00 -1.48 0.58 0.00 0.00 0.00 0.00 35.03 34.13 2k2z n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k2z n GLY 44 N 1.43 -0.63 2.89 3.14 0.00 -1.26 -4.73 105.19 106.03 2k2z n GLY 44 Ca -0.22 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2k2z n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2z s GLY 45 N -1.98 0.07 0.28 -0.02 0.00 -1.25 -4.05 107.32 100.37 2k2z s GLY 45 Ca 0.29 -0.05 0.04 0.00 0.00 0.00 0.00 44.72 45.00 2k2z s GLY 45 CO 0.23 -0.02 0.21 -0.54 0.00 0.00 0.00 173.10 172.97 2k2z s GLU 46 N 0.00 1.53 -0.36 2.90 0.41 -1.26 -4.35 118.70 117.57 2k2z s GLU 46 Ca 0.00 -1.86 -0.27 0.00 -0.41 0.00 0.00 54.97 52.43 2k2z s GLU 46 Cb -0.01 0.28 -0.05 0.00 -1.78 0.00 0.00 34.13 32.57 2k2z s GLU 46 CO -0.00 -0.54 2.17 0.00 -0.49 0.00 0.00 175.26 176.40 2k2z s ASN 48 N 9.12 2.12 0.69 0.00 0.01 -1.26 -5.11 114.94 120.50 2k2z s ASN 48 Ca 0.92 -0.97 -0.13 0.00 -0.71 0.00 0.00 52.86 51.97 2k2z s ASN 48 Cb -0.24 -0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.37 2k2z s ASN 48 CO 0.30 -0.23 1.09 -2.16 -1.51 0.00 0.00 177.10 174.59 2k2z s PRO 49 N -3.49 2.72 0.42 -0.60 0.04 -1.26 -3.90 135.00 128.94 2k2z s PRO 49 Ca 0.17 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.56 2k2z s PRO 49 Cb -0.00 -1.95 0.90 0.00 0.04 0.00 0.00 34.50 33.49 2k2z s PRO 49 CO 0.03 -1.29 2.03 -0.07 0.04 0.00 0.00 177.00 177.74 2k2z h LEU 50 N -0.33 0.33 -4.10 -3.56 3.38 -1.88 -3.13 115.31 106.02 2k2z h LEU 50 Ca -0.45 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.25 2k2z h LEU 50 Cb 1.23 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2k2z h LEU 50 CO 0.54 0.30 -0.15 0.47 0.09 0.00 0.00 178.44 179.69 2k2z n ASP 51 N -4.43 5.51 -4.17 -0.43 8.00 -1.26 -4.86 116.55 114.91 2k2z n ASP 51 Ca 0.01 -2.57 -0.17 0.00 0.71 0.00 0.00 54.79 52.77 2k2z n ASP 51 Cb 0.13 -1.40 -0.12 0.00 -0.02 0.00 0.00 41.12 39.71 2k2z n ASP 51 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2k2z s ARG 52 N 0.71 0.83 -1.05 -1.24 6.06 -1.18 -5.08 118.95 117.99 2k2z s ARG 52 Ca 0.66 -1.02 -0.18 0.00 -2.50 0.00 0.00 55.73 52.70 2k2z s ARG 52 Cb 0.32 -0.74 -0.08 0.00 0.06 0.00 0.00 34.95 34.52 2k2z s ARG 52 CO -0.03 0.15 2.09 0.00 -2.50 0.00 0.00 175.30 175.01 2k2z n GLN 53 N 1.05 2.10 -3.95 5.12 10.64 -1.26 -4.87 117.38 126.21 2k2z n GLN 53 Ca -0.20 -2.09 -0.09 0.00 -1.83 0.00 0.00 57.00 52.79 2k2z n GLN 53 Cb 0.55 -3.01 -0.03 0.00 -0.86 0.00 0.00 30.24 26.89 2k2z n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k2z s LYS 55 N -3.72 1.20 -0.14 0.00 2.36 -1.20 -4.98 119.74 113.27 2k2z s LYS 55 Ca 0.19 0.73 -0.02 0.00 -2.55 0.00 0.00 55.97 54.32 2k2z s LYS 55 Cb -0.03 -1.81 0.05 0.00 -1.05 0.00 0.00 37.83 34.99 2k2z s LYS 55 CO 0.10 -2.26 0.02 -2.00 1.55 0.00 0.00 175.35 172.76 2k2z s GLU 56 N -4.98 0.65 0.96 4.03 2.12 -1.26 -3.84 118.70 116.38 2k2z s GLU 56 Ca 0.63 -0.19 -0.16 0.00 0.36 0.00 0.00 54.97 55.62 2k2z s GLU 56 Cb -0.18 -1.63 0.19 0.00 0.26 0.00 0.00 34.13 32.78 2k2z s GLU 56 CO 0.57 -0.49 1.32 -0.51 -0.54 0.00 0.00 175.26 175.60 2k2z s LEU 57 N 1.91 2.71 -0.11 2.70 1.43 -1.25 -4.95 118.68 121.12 2k2z s LEU 57 Ca 0.02 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2k2z s LEU 57 Cb -0.15 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2k2z s LEU 57 CO -0.07 -2.70 -0.13 0.00 0.23 0.00 0.00 176.35 173.69 2k2z n GLN 58 N -3.75 0.24 -0.08 1.70 10.64 -1.26 -4.20 117.38 120.67 2k2z n GLN 58 Ca 0.15 0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 55.28 2k2z n GLN 58 Cb 0.59 -0.99 -0.05 0.00 -0.86 0.00 0.00 30.24 28.93 2k2z n GLN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k2z h ALA 59 N -0.28 0.37 -0.00 2.61 0.00 -2.03 -3.14 119.26 116.78 2k2z h ALA 59 Ca -0.27 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2k2z h ALA 59 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k2z h ALA 59 CO -0.13 0.36 -0.16 0.39 0.00 0.00 0.00 179.25 179.70 2k2z n GLU 60 N -4.33 0.40 0.10 0.00 -0.58 -1.26 -3.80 120.64 111.17 2k2z n GLU 60 Ca -0.04 -0.14 0.07 0.00 -0.42 0.00 0.00 57.16 56.63 2k2z n GLU 60 Cb 0.45 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.36 2k2z n GLU 60 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k2z h SER 61 N 0.33 0.24 0.47 1.62 0.87 -1.71 -1.96 113.55 113.41 2k2z h SER 61 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2z h SER 61 Cb 0.42 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k2z h SER 61 CO 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 176.83 176.47 2k2z n ALA 62 N -2.52 1.58 0.05 6.23 0.00 -1.25 -3.96 120.51 120.65 2k2z n ALA 62 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2k2z n ALA 62 Cb 0.13 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.27 2k2z n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2z h SER 63 N 0.00 -0.05 0.10 0.00 0.87 -1.61 -2.94 113.55 109.91 2k2z h SER 63 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k2z h SER 63 Cb 0.23 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2k2z h SER 63 CO 0.00 0.08 -0.36 0.00 -0.53 0.00 0.00 176.83 176.02 2k2z n GLY 65 N 1.38 0.42 1.05 0.00 0.00 -1.11 -4.79 105.19 102.14 2k2z n GLY 65 Ca 0.11 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.20 2k2z n GLY 65 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k2z n LYS 66 N 0.00 0.65 -0.26 1.61 2.85 -1.26 -4.00 118.16 117.75 2k2z n LYS 66 Ca 0.00 -2.47 0.00 0.00 -1.05 0.00 0.00 58.31 54.79 2k2z n LYS 66 Cb 0.00 -0.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 2k2z n LYS 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k2z n GLY 67 N -0.21 -0.09 2.79 2.58 0.00 -1.26 -5.14 105.19 103.86 2k2z n GLY 67 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2k2z n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2z n GLN 68 N 0.00 0.74 -3.68 1.61 -0.00 -1.26 -4.18 117.38 110.61 2k2z n GLN 68 Ca 0.00 -2.86 -0.14 0.00 -0.00 0.00 0.00 57.00 53.99 2k2z n GLN 68 Cb 0.55 1.34 -0.08 0.00 -0.00 0.00 0.00 30.24 32.05 2k2z n GLN 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2k2z s LYS 69 N -3.32 0.73 -0.65 2.61 -2.85 -1.25 -4.82 119.74 110.18 2k2z s LYS 69 Ca 0.13 0.30 -0.24 0.00 -1.00 0.00 0.00 55.97 55.16 2k2z s LYS 69 Cb 0.01 0.34 0.06 0.00 -2.06 0.00 0.00 37.83 36.17 2k2z s LYS 69 CO 0.09 -0.17 1.02 0.00 0.10 0.00 0.00 175.35 176.38 2k2z n VAL 72 N -1.29 0.00 -0.01 0.00 0.24 -1.26 -3.80 118.33 112.21 2k2z n VAL 72 Ca 0.10 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.34 61.57 2k2z n VAL 72 Cb 0.52 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.07 2k2z n VAL 72 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 2k2z h TRP 73 N 1.16 -0.18 -4.29 6.34 4.06 -1.92 -3.43 115.95 117.69 2k2z h TRP 73 Ca -0.11 0.02 -0.69 0.00 2.06 0.00 0.00 58.89 60.16 2k2z h TRP 73 Cb 0.39 0.10 -0.26 0.00 -1.00 0.00 0.00 29.16 28.39 2k2z h TRP 73 CO 0.00 -0.12 -0.83 -0.51 -3.56 0.00 0.00 178.44 173.42 2k2z s LEU 74 N -10.38 2.40 0.00 -4.49 1.02 -1.26 -5.13 118.68 100.84 2k2z s LEU 74 Ca -0.14 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 53.72 2k2z s LEU 74 Cb 0.10 -1.45 0.38 0.00 0.02 0.00 0.00 46.19 45.24 2k2z s LEU 74 CO 0.68 0.32 0.85 0.00 0.02 0.00 0.00 176.35 178.22