#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1p n SER 64 N 0.00 0.42 -4.84 1.61 7.64 -1.26 -4.63 113.62 112.55 2k1p n SER 64 Ca 0.00 -0.75 -0.32 0.00 1.01 0.00 0.00 58.87 58.80 2k1p n SER 64 Cb 0.00 0.24 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 2k1p n SER 64 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k1p s SER 65 N -0.24 5.97 -1.22 6.43 1.04 -1.26 -5.00 113.70 119.42 2k1p s SER 65 Ca 0.00 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.53 2k1p s SER 65 Cb 0.00 -1.77 -0.07 0.00 0.10 0.00 0.00 66.02 64.28 2k1p s SER 65 CO 0.00 0.24 2.40 0.00 0.98 0.00 0.00 173.24 176.86 2k1p n ALA 66 N 0.86 5.65 0.03 5.32 0.00 -1.26 -3.58 120.51 127.53 2k1p n ALA 66 Ca -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.40 2k1p n ALA 66 Cb 0.52 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.69 2k1p n ALA 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k1p n ASN 67 N 4.64 -0.57 -4.69 0.00 5.15 -1.26 -5.09 115.26 113.44 2k1p n ASN 67 Ca 0.58 0.12 -0.41 0.00 -0.60 0.00 0.00 54.58 54.27 2k1p n ASN 67 Cb 0.23 0.95 -0.04 0.00 -0.53 0.00 0.00 39.78 40.40 2k1p n ASN 67 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2k1p s ASP 68 N -1.22 7.07 0.34 1.20 -4.77 -1.23 -3.79 116.67 114.27 2k1p s ASP 68 Ca 0.00 1.31 0.09 0.00 -3.30 0.00 0.00 52.55 50.65 2k1p s ASP 68 Cb 0.00 -2.48 -0.05 0.00 -1.09 0.00 0.00 42.92 39.29 2k1p s ASP 68 CO 0.00 -0.35 0.04 -1.66 0.70 0.00 0.00 175.17 173.90 2k1p s TRP 69 N 1.80 2.58 -0.04 2.11 1.48 -1.26 -3.76 118.94 121.85 2k1p s TRP 69 Ca 0.42 -0.44 0.03 0.00 -1.06 0.00 0.00 56.10 55.05 2k1p s TRP 69 Cb -0.18 -1.53 0.00 0.00 -1.16 0.00 0.00 33.47 30.60 2k1p s TRP 69 CO 0.16 0.44 -0.11 -1.14 -4.06 0.00 0.00 176.95 172.24 2k1p s GLN 70 N -3.74 1.25 0.49 3.25 0.74 -1.26 -3.71 119.66 116.67 2k1p s GLN 70 Ca 0.35 -0.38 -0.24 0.00 0.05 0.00 0.00 55.36 55.14 2k1p s GLN 70 Cb -0.00 -1.12 -0.07 0.00 1.10 0.00 0.00 33.01 32.92 2k1p s GLN 70 CO 0.20 0.12 1.42 0.00 -0.55 0.00 0.00 175.29 176.48 2k1p h LYS 72 N 2.00 0.00 0.00 0.00 1.57 -1.91 -2.61 116.57 115.61 2k1p h LYS 72 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2k1p h LYS 72 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2k1p h LYS 72 CO 0.60 0.00 -0.30 2.41 -0.57 0.00 0.00 179.45 181.59 2k1p n THR 73 N -2.40 0.81 0.65 -0.16 -1.04 -1.26 -4.52 114.28 106.36 2k1p n THR 73 Ca 0.03 0.34 0.12 0.00 -2.04 0.00 0.00 64.05 62.50 2k1p n THR 73 Cb 0.48 -2.01 0.24 0.00 -1.82 0.00 0.00 70.33 67.22 2k1p n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1p n SER 75 N -2.03 -4.98 -4.77 0.00 7.64 -0.98 -4.98 113.62 103.51 2k1p n SER 75 Ca 0.04 0.40 -0.36 0.00 1.01 0.00 0.00 58.87 59.96 2k1p n SER 75 Cb 0.42 -3.93 -0.07 0.00 -1.01 0.00 0.00 64.21 59.62 2k1p n SER 75 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k1p s ASN 76 N -2.82 6.19 -0.10 6.43 2.47 -1.26 -4.75 114.94 121.10 2k1p s ASN 76 Ca 0.00 0.30 -0.29 0.00 0.42 0.00 0.00 52.86 53.29 2k1p s ASN 76 Cb 0.00 -2.05 -0.01 0.00 -1.45 0.00 0.00 41.25 37.74 2k1p s ASN 76 CO 0.00 0.27 1.00 0.54 -3.72 0.00 0.00 177.10 175.20 2k1p s VAL 77 N -0.19 4.79 0.00 -5.21 0.11 -1.26 -2.09 120.40 116.55 2k1p s VAL 77 Ca 0.10 2.04 0.00 0.00 -2.93 0.00 0.00 61.98 61.19 2k1p s VAL 77 Cb -0.11 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.42 2k1p s VAL 77 CO 0.01 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.37 2k1p n ASN 78 N 4.98 0.00 -4.93 3.54 3.02 -1.24 -4.98 115.26 115.64 2k1p n ASN 78 Ca 0.09 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.39 2k1p n ASN 78 Cb 0.49 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.67 2k1p n ASN 78 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2k1p s TRP 79 N 0.00 3.29 -0.90 3.10 -0.00 -1.26 -4.94 118.94 118.23 2k1p s TRP 79 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 56.10 56.56 2k1p s TRP 79 Cb 0.00 -2.44 0.00 0.00 -0.00 0.00 0.00 33.47 31.03 2k1p s TRP 79 CO 0.00 -0.49 0.38 0.00 -0.00 0.00 0.00 176.95 176.84 2k1p n ALA 80 N -2.26 2.05 0.00 5.86 0.00 -1.26 -2.84 120.51 122.05 2k1p n ALA 80 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k1p n ALA 80 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2k1p n ALA 80 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k1p n ARG 81 N 0.20 0.00 -1.48 0.00 1.85 -1.25 -3.73 116.66 112.25 2k1p n ARG 81 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 2k1p n ARG 81 Cb 0.19 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.68 2k1p n ARG 81 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k1p s ARG 82 N 0.00 2.25 0.09 2.89 0.52 -1.13 -4.95 118.95 118.63 2k1p s ARG 82 Ca 0.00 1.67 0.13 0.00 -0.52 0.00 0.00 55.73 57.01 2k1p s ARG 82 Cb 0.00 -1.86 -0.13 0.00 0.52 0.00 0.00 34.95 33.48 2k1p s ARG 82 CO 0.00 -1.73 1.01 0.66 0.02 0.00 0.00 175.30 175.26 2k1p h SER 83 N -0.27 0.00 -5.06 0.23 4.64 -1.96 -3.44 113.55 107.69 2k1p h SER 83 Ca -0.47 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2k1p h SER 83 Cb 1.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2k1p h SER 83 CO 0.50 0.75 0.12 -1.83 -0.87 0.00 0.00 176.83 175.51 2k1p s GLU 84 N -2.81 1.61 0.30 4.77 1.03 -1.26 -0.59 118.70 121.75 2k1p s GLU 84 Ca -0.01 -0.97 -0.28 0.00 0.03 0.00 0.00 54.97 53.75 2k1p s GLU 84 Cb 0.09 0.56 -0.09 0.00 -0.80 0.00 0.00 34.13 33.89 2k1p s GLU 84 CO 0.80 -0.72 1.01 0.00 -1.33 0.00 0.00 175.26 175.03 2k1p n ASN 86 N 0.88 0.66 -0.11 0.00 6.94 -1.26 -2.00 115.26 120.36 2k1p n ASN 86 Ca 0.01 -0.48 -0.20 0.00 -0.02 0.00 0.00 54.58 53.88 2k1p n ASN 86 Cb 0.47 0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.92 2k1p n ASN 86 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 2k1p n MET 87 N -1.11 0.51 -0.00 -3.83 1.56 -1.26 -4.67 117.12 108.32 2k1p n MET 87 Ca 0.09 0.17 0.07 0.00 -0.27 0.00 0.00 57.70 57.77 2k1p n MET 87 Cb 0.33 -1.37 -0.10 0.00 2.15 0.00 0.00 33.22 34.24 2k1p n MET 87 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k1p n ASN 89 N -1.58 -4.61 -4.71 0.00 5.15 -0.85 -4.97 115.26 103.69 2k1p n ASN 89 Ca 0.01 0.24 -0.42 0.00 -0.60 0.00 0.00 54.58 53.81 2k1p n ASN 89 Cb 0.29 -3.50 -0.03 0.00 -0.53 0.00 0.00 39.78 36.01 2k1p n ASN 89 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2k1p s THR 90 N -2.59 4.00 0.57 -0.44 2.01 -1.26 -4.65 115.64 113.28 2k1p s THR 90 Ca 0.00 1.42 -0.21 0.00 0.31 0.00 0.00 61.69 63.20 2k1p s THR 90 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2k1p s THR 90 CO 0.00 0.08 1.36 -2.84 -0.69 0.00 0.00 174.62 172.53 2k1p s PRO 91 N 1.39 3.02 0.12 4.92 0.02 -1.26 0.07 135.00 143.28 2k1p s PRO 91 Ca 0.59 2.23 -0.24 0.00 0.02 0.00 0.00 61.00 63.60 2k1p s PRO 91 Cb -0.29 -2.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.99 2k1p s PRO 91 CO 0.28 -1.28 1.25 1.17 -0.33 0.00 0.00 177.00 178.08 2k1p n LYS 92 N -1.19 -0.34 -3.48 5.54 4.81 0.24 -3.50 118.16 120.23 2k1p n LYS 92 Ca 0.11 1.22 -0.28 0.00 -0.87 0.00 0.00 58.31 58.49 2k1p n LYS 92 Cb 0.45 -1.80 -0.12 0.00 0.02 0.00 0.00 35.03 33.59 2k1p n LYS 92 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2k1p s TYR 93 N -5.27 1.06 -0.26 5.64 2.02 -1.26 -4.92 117.35 114.36 2k1p s TYR 93 Ca -0.09 -1.97 0.02 0.00 -0.37 0.00 0.00 57.07 54.66 2k1p s TYR 93 Cb 0.09 -1.08 0.38 0.00 -0.40 0.00 0.00 41.96 40.94 2k1p s TYR 93 CO 0.48 -0.82 1.51 0.00 -1.57 0.00 0.00 175.55 175.15 2k1p n ALA 94 N 3.57 4.21 -0.97 3.71 0.00 -1.23 -5.25 120.51 124.56 2k1p n ALA 94 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2k1p n ALA 94 Cb 0.40 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2k1p n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13