#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1p s SER 64 N 0.00 6.08 -1.24 1.61 0.01 -1.26 -4.92 113.70 113.97 2k1p s SER 64 Ca 0.00 -0.35 -0.19 0.00 1.31 0.00 0.00 55.95 56.72 2k1p s SER 64 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k1p s SER 64 CO 0.00 -1.89 1.86 -1.54 0.41 0.00 0.00 173.24 172.09 2k1p n SER 65 N 9.70 4.07 -0.00 2.44 3.41 -1.26 -4.51 113.62 127.47 2k1p n SER 65 Ca 0.05 -2.82 0.10 0.00 -0.26 0.00 0.00 58.87 55.94 2k1p n SER 65 Cb 0.49 -1.69 -0.14 0.00 -0.26 0.00 0.00 64.21 62.61 2k1p n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k1p n ALA 66 N 10.04 3.78 -0.05 7.33 0.00 -1.26 -4.61 120.51 135.74 2k1p n ALA 66 Ca 0.48 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k1p n ALA 66 Cb 0.45 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.85 0.00 -4.79 0.00 5.15 -1.26 -4.87 115.26 107.63 2k1p n ASN 67 Ca 0.00 0.51 -0.31 0.00 -0.60 0.00 0.00 54.58 54.18 2k1p n ASN 67 Cb 0.44 -0.47 0.07 0.00 -0.53 0.00 0.00 39.78 39.29 2k1p n ASN 67 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2k1p s ASP 68 N -2.84 4.87 0.18 1.20 1.11 -1.23 -4.54 116.67 115.41 2k1p s ASP 68 Ca 0.00 1.67 0.01 0.00 0.18 0.00 0.00 52.55 54.41 2k1p s ASP 68 Cb 0.00 -2.46 -0.05 0.00 1.07 0.00 0.00 42.92 41.49 2k1p s ASP 68 CO 0.00 -1.78 0.03 -1.66 1.18 0.00 0.00 175.17 172.94 2k1p s TRP 69 N -2.99 1.21 -0.04 4.23 1.48 -1.22 -4.91 118.94 116.69 2k1p s TRP 69 Ca 0.60 -1.10 0.03 0.00 -1.06 0.00 0.00 56.10 54.56 2k1p s TRP 69 Cb -0.16 -0.69 0.01 0.00 -1.16 0.00 0.00 33.47 31.47 2k1p s TRP 69 CO 0.55 -0.31 -0.11 -1.14 -4.06 0.00 0.00 176.95 171.88 2k1p s GLN 70 N -3.97 1.38 0.39 3.25 -0.44 -1.26 -2.10 119.66 116.91 2k1p s GLN 70 Ca 0.27 -0.39 -0.26 0.00 -2.50 0.00 0.00 55.36 52.48 2k1p s GLN 70 Cb 0.07 -1.21 -0.09 0.00 -1.64 0.00 0.00 33.01 30.14 2k1p s GLN 70 CO 0.06 0.10 1.17 0.00 0.50 0.00 0.00 175.29 177.11 2k1p n LYS 72 N 0.19 1.67 0.08 0.00 2.85 -1.26 -2.33 118.16 119.35 2k1p n LYS 72 Ca 0.04 -1.33 0.00 0.00 -1.05 0.00 0.00 58.31 55.97 2k1p n LYS 72 Cb 0.46 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 2k1p n LYS 72 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2k1p n THR 73 N 0.43 0.31 0.13 0.58 -1.04 -1.26 -4.88 114.28 108.55 2k1p n THR 73 Ca 0.25 0.10 0.11 0.00 -2.04 0.00 0.00 64.05 62.48 2k1p n THR 73 Cb 0.62 -0.88 0.03 0.00 -1.82 0.00 0.00 70.33 68.28 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 -2.77 -4.88 -4.90 0.00 7.64 -0.99 -5.01 113.62 102.72 2k1p n SER 75 Ca 0.01 0.13 -0.34 0.00 1.01 0.00 0.00 58.87 59.67 2k1p n SER 75 Cb 0.55 -3.93 -0.05 0.00 -1.01 0.00 0.00 64.21 59.77 2k1p n SER 75 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k1p s ASN 76 N -2.46 6.41 -0.27 6.43 2.20 -1.26 -4.92 114.94 121.07 2k1p s ASN 76 Ca 0.00 0.42 -0.23 0.00 -0.94 0.00 0.00 52.86 52.11 2k1p s ASN 76 Cb 0.00 -2.04 -0.00 0.00 -2.00 0.00 0.00 41.25 37.21 2k1p s ASN 76 CO 0.00 0.27 0.78 -0.69 -2.94 0.00 0.00 177.10 174.53 2k1p s VAL 77 N -1.29 4.84 0.00 3.54 1.01 -1.26 -2.67 120.40 124.56 2k1p s VAL 77 Ca 0.26 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2k1p s VAL 77 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2k1p s VAL 77 CO 0.16 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.71 2k1p n ASN 78 N 6.06 0.00 -4.67 3.32 3.02 -0.89 -5.00 115.26 117.10 2k1p n ASN 78 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 2k1p n ASN 78 Cb 0.48 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.82 2k1p n ASN 78 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2k1p s TRP 79 N 1.81 2.08 -1.65 3.10 0.52 -1.26 -4.78 118.94 118.76 2k1p s TRP 79 Ca 0.00 1.08 0.23 0.00 0.02 0.00 0.00 56.10 57.42 2k1p s TRP 79 Cb 0.00 -3.23 1.22 0.00 -1.15 0.00 0.00 33.47 30.32 2k1p s TRP 79 CO 0.00 -2.86 1.74 0.00 0.02 0.00 0.00 176.95 175.84 2k1p n ALA 80 N -4.17 2.23 -1.86 0.98 0.00 -1.26 -3.46 120.51 112.97 2k1p n ALA 80 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2k1p n ALA 80 Cb 0.56 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.18 0.00 -1.61 0.00 1.85 -1.26 -3.55 116.66 110.91 2k1p n ARG 81 Ca 0.13 -0.40 -0.34 0.00 -1.00 0.00 0.00 57.85 56.24 2k1p n ARG 81 Cb 0.14 0.24 0.07 0.00 -1.05 0.00 0.00 32.46 31.86 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 2.45 0.22 2.89 0.52 -1.25 -4.94 118.95 118.85 2k1p s ARG 82 Ca 0.00 1.66 0.21 0.00 -0.52 0.00 0.00 55.73 57.08 2k1p s ARG 82 Cb 0.00 -1.88 0.04 0.00 0.52 0.00 0.00 34.95 33.63 2k1p s ARG 82 CO 0.00 -1.58 1.12 0.77 0.02 0.00 0.00 175.30 175.64 2k1p h SER 83 N -0.03 0.00 -5.38 0.23 0.02 -1.96 -3.46 113.55 102.97 2k1p h SER 83 Ca -0.48 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.31 2k1p h SER 83 Cb 1.28 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.73 2k1p h SER 83 CO 0.52 0.12 -0.21 -1.83 -1.14 0.00 0.00 176.83 174.29 2k1p s GLU 84 N -3.25 1.64 0.44 3.45 1.03 -1.26 -2.26 118.70 118.50 2k1p s GLU 84 Ca 0.01 -1.49 -0.21 0.00 0.03 0.00 0.00 54.97 53.31 2k1p s GLU 84 Cb 0.09 0.44 -0.10 0.00 -0.80 0.00 0.00 34.13 33.75 2k1p s GLU 84 CO 0.77 -0.67 0.97 0.00 -1.33 0.00 0.00 175.26 175.01 2k1p h ASN 86 N 1.87 0.00 0.00 0.00 -1.07 -1.94 -2.56 115.58 111.88 2k1p h ASN 86 Ca -0.49 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 55.65 2k1p h ASN 86 Cb 1.19 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.41 2k1p h ASN 86 CO 0.61 0.20 -1.40 0.80 0.07 0.00 0.00 177.43 177.70 2k1p n MET 87 N -2.87 0.55 -0.01 4.14 1.56 -1.26 -4.60 117.12 114.64 2k1p n MET 87 Ca -0.01 0.48 0.09 0.00 -0.27 0.00 0.00 57.70 57.98 2k1p n MET 87 Cb 0.64 -1.66 -0.14 0.00 2.15 0.00 0.00 33.22 34.21 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 -2.05 -3.88 -4.67 0.00 4.05 -0.96 -4.93 115.26 102.81 2k1p n ASN 89 Ca -0.02 0.17 -0.42 0.00 0.45 0.00 0.00 54.58 54.76 2k1p n ASN 89 Cb 0.45 -2.39 -0.03 0.00 1.23 0.00 0.00 39.78 39.05 2k1p n ASN 89 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2k1p s THR 90 N -2.36 3.74 0.17 -0.44 2.01 -1.26 -4.36 115.64 113.14 2k1p s THR 90 Ca 0.00 1.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.70 2k1p s THR 90 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 2k1p s THR 90 CO 0.00 -0.05 1.48 -2.84 -0.69 0.00 0.00 174.62 172.52 2k1p s PRO 91 N 3.23 4.26 0.00 4.92 0.02 -1.26 -0.61 135.00 145.56 2k1p s PRO 91 Ca 0.66 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2k1p s PRO 91 Cb -0.31 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.04 2k1p s PRO 91 CO 0.25 -0.51 0.00 1.17 -0.33 0.00 0.00 177.00 177.59 2k1p n LYS 92 N 3.57 0.00 -2.28 5.54 4.81 -0.96 -0.83 118.16 128.01 2k1p n LYS 92 Ca 0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.44 2k1p n LYS 92 Cb 0.40 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.49 2k1p n LYS 92 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1p n TYR 93 N -0.62 1.88 -3.73 5.64 4.01 -1.26 -4.70 117.16 118.37 2k1p n TYR 93 Ca 0.00 -2.08 -0.26 0.00 -0.16 0.00 0.00 57.90 55.40 2k1p n TYR 93 Cb 0.00 -0.28 0.05 0.00 -0.31 0.00 0.00 39.34 38.80 2k1p n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k1p n ALA 94 N -0.63 -1.39 -0.73 -0.72 0.00 -0.01 -5.25 120.51 111.79 2k1p n ALA 94 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2k1p n ALA 94 Cb 0.89 -4.68 0.00 0.00 0.00 0.00 0.00 19.45 15.66 2k1p n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13