#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p s LYS 4 N 0.00 0.51 -0.11 0.38 1.02 -1.26 -5.17 119.74 115.11 2i2p s LYS 4 Ca 0.00 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 2i2p s LYS 4 Cb 0.00 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2i2p s LYS 4 CO 0.00 -0.12 0.28 0.08 -0.92 0.00 0.00 175.35 174.67 2i2p s VAL 5 N -1.30 -0.02 0.34 3.17 1.01 -1.26 -5.04 120.40 117.30 2i2p s VAL 5 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2i2p s VAL 5 Cb -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2i2p s VAL 5 CO 0.02 0.02 0.00 0.54 0.00 0.00 0.00 175.10 175.68 2i2p n ARG 6 N 3.47 0.00 0.00 2.72 1.74 -1.26 -5.13 116.66 118.20 2i2p n ARG 6 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2i2p n ARG 6 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2i2p n ARG 6 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2i2p n GLU 7 N -3.41 0.00 0.00 5.56 4.07 -1.26 -4.94 120.64 120.66 2i2p n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2i2p n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2i2p n GLU 7 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2i2p n ASN 8 N 1.15 0.00 -2.13 4.31 5.15 -1.26 -4.95 115.26 117.52 2i2p n ASN 8 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 2i2p n ASN 8 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 2i2p n ASN 8 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2i2p n GLU 9 N 0.00 -3.79 -1.62 1.20 1.02 -1.26 -4.83 120.64 111.35 2i2p n GLU 9 Ca 0.00 2.91 -0.48 0.00 -0.02 0.00 0.00 57.16 59.56 2i2p n GLU 9 Cb 0.00 -3.85 -0.05 0.00 -0.02 0.00 0.00 31.44 27.52 2i2p n GLU 9 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2i2p n PRO 10 N 1.36 1.90 -3.30 3.49 -0.04 -1.26 -4.88 135.00 132.26 2i2p n PRO 10 Ca -0.12 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2i2p n PRO 10 Cb 0.19 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 2i2p n PRO 10 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2i2p n PHE 11 N 8.03 0.00 -2.36 0.54 1.16 -1.26 -5.07 117.46 118.50 2i2p n PHE 11 Ca 0.28 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.82 2i2p n PHE 11 Cb 0.30 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.21 2i2p n PHE 11 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2i2p n ASP 12 N 0.90 -1.17 0.00 5.98 4.64 -1.26 -5.05 116.55 120.59 2i2p n ASP 12 Ca 0.00 -2.01 0.00 0.00 -1.38 0.00 0.00 54.79 51.40 2i2p n ASP 12 Cb 0.00 0.48 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 2i2p n ASP 12 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 2i2p n VAL 13 N -0.82 0.00 0.00 5.18 3.14 -1.26 -4.98 118.33 119.59 2i2p n VAL 13 Ca -0.21 1.11 0.00 0.00 -2.96 0.00 0.00 64.34 62.29 2i2p n VAL 13 Cb 0.77 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 2i2p n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i2p n ALA 14 N -1.33 0.00 -0.20 1.55 0.00 -1.26 -5.00 120.51 114.26 2i2p n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2p n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i2p n ALA 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2p n LEU 15 N -0.02 0.28 -0.48 0.00 7.94 -1.26 -4.73 117.00 118.72 2i2p n LEU 15 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2i2p n LEU 15 Cb 0.00 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.26 2i2p n LEU 15 CO 0.00 -0.14 0.10 0.54 -1.11 0.00 0.00 177.39 176.78 2i2p n ARG 16 N -2.00 0.38 0.00 1.96 5.12 -1.26 -1.38 116.66 119.48 2i2p n ARG 16 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 2i2p n ARG 16 Cb 0.00 -1.18 0.02 0.00 -1.16 0.00 0.00 32.46 30.14 2i2p n ARG 16 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2i2p n ARG 17 N 0.28 0.30 0.00 5.56 0.63 -1.26 -4.47 116.66 117.70 2i2p n ARG 17 Ca 0.00 -0.85 0.00 0.00 -0.92 0.00 0.00 57.85 56.08 2i2p n ARG 17 Cb 0.09 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 31.89 2i2p n ARG 17 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2i2p n PHE 18 N 0.29 0.00 0.30 -0.14 -0.00 -0.48 -3.37 117.46 114.06 2i2p n PHE 18 Ca 0.04 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.68 2i2p n PHE 18 Cb 0.17 0.00 0.99 0.00 -0.00 0.00 0.00 39.48 40.64 2i2p n PHE 18 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 2i2p h LYS 19 N 0.00 0.00 -0.84 -4.13 6.56 -1.89 -3.01 116.57 113.27 2i2p h LYS 19 Ca 0.00 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.71 2i2p h LYS 19 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 31.53 2i2p h LYS 19 CO 0.00 0.00 -0.34 -2.13 -2.06 0.00 0.00 179.45 174.92 2i2p n ARG 20 N -3.31 -0.21 -0.38 3.15 0.63 -1.22 0.60 116.66 115.94 2i2p n ARG 20 Ca -0.01 1.28 0.00 0.00 -0.92 0.00 0.00 57.85 58.20 2i2p n ARG 20 Cb 0.22 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.22 2i2p n ARG 20 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2i2p n SER 21 N -5.22 4.09 -0.43 6.15 3.41 -1.14 -2.28 113.62 118.21 2i2p n SER 21 Ca 0.08 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 2i2p n SER 21 Cb 0.33 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2i2p n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2p n GLU 23 N 0.00 0.00 0.00 0.00 2.13 -0.97 -4.98 120.64 116.83 2i2p n GLU 23 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2i2p n GLU 23 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 2i2p n GLU 23 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2i2p n LYS 24 N 0.00 0.00 0.00 5.31 4.76 -1.24 -2.08 118.16 124.91 2i2p n LYS 24 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2i2p n LYS 24 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2i2p n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i2p n ALA 25 N 1.22 1.95 -0.07 7.82 0.00 -1.26 -3.18 120.51 126.99 2i2p n ALA 25 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2i2p n ALA 25 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2i2p n ALA 25 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2i2p h GLY 26 N 3.18 0.00 2.00 0.00 0.00 -1.81 -2.00 103.07 104.44 2i2p h GLY 26 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2i2p h GLY 26 CO 0.00 0.00 -0.03 -0.24 0.00 0.00 0.00 176.54 176.27 2i2p h VAL 27 N -1.00 0.32 0.03 4.60 3.04 -1.40 0.67 116.25 122.51 2i2p h VAL 27 Ca -0.02 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2i2p h VAL 27 Cb 0.50 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2i2p h VAL 27 CO -0.01 0.02 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.49 2i2p h LEU 28 N 0.00 -0.04 -2.08 3.16 3.38 -1.70 -3.25 115.31 114.78 2i2p h LEU 28 Ca -0.00 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.54 2i2p h LEU 28 Cb 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2i2p h LEU 28 CO 0.00 0.70 0.25 0.00 0.09 0.00 0.00 178.44 179.48 2i2p h ALA 29 N -0.41 2.15 -0.17 1.53 0.00 -0.84 0.55 119.26 122.06 2i2p h ALA 29 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2i2p h ALA 29 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2i2p h ALA 29 CO 0.01 -0.40 0.16 1.49 0.00 0.00 0.00 179.25 180.50 2i2p h GLU 30 N 0.00 0.00 0.00 0.00 4.81 -0.91 -3.43 114.58 115.05 2i2p h GLU 30 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2i2p h GLU 30 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2i2p h GLU 30 CO -0.00 0.00 0.00 0.28 -0.73 0.00 0.00 179.01 178.56 2i2p n VAL 31 N -4.05 0.00 0.00 0.32 0.31 0.19 -4.90 118.33 110.21 2i2p n VAL 31 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2i2p n VAL 31 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2i2p n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2i2p n ARG 32 N 0.00 0.00 -3.89 5.55 0.63 -1.25 -4.94 116.66 112.76 2i2p n ARG 32 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2i2p n ARG 32 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2i2p n ARG 32 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2i2p s ARG 33 N 0.00 3.45 0.17 -0.14 0.52 -1.26 -5.03 118.95 116.65 2i2p s ARG 33 Ca 0.00 -0.64 -0.10 0.00 -0.52 0.00 0.00 55.73 54.47 2i2p s ARG 33 Cb 0.00 -2.89 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 2i2p s ARG 33 CO 0.00 0.43 0.06 2.89 0.02 0.00 0.00 175.30 178.70 2i2p n ARG 34 N -1.12 0.00 -0.53 3.54 1.85 -1.26 -4.87 116.66 114.27 2i2p n ARG 34 Ca -0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.48 2i2p n ARG 34 Cb 0.56 -0.44 0.26 0.00 -1.05 0.00 0.00 32.46 31.80 2i2p n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2i2p s GLU 35 N -0.44 -1.60 -0.19 2.89 0.41 -1.26 -4.97 118.70 113.55 2i2p s GLU 35 Ca 0.26 0.56 0.12 0.00 -0.41 0.00 0.00 54.97 55.50 2i2p s GLU 35 Cb -0.29 -1.50 -0.23 0.00 -1.78 0.00 0.00 34.13 30.33 2i2p s GLU 35 CO 0.27 -4.10 0.11 1.19 -0.49 0.00 0.00 175.26 172.23 2i2p n PHE 36 N -5.15 0.23 0.00 1.61 0.99 -1.26 -4.98 117.46 108.91 2i2p n PHE 36 Ca 0.06 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 2i2p n PHE 36 Cb 0.56 -1.04 0.00 0.00 -1.00 0.00 0.00 39.48 38.00 2i2p n PHE 36 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2i2p n TYR 37 N -2.96 0.00 -0.06 1.38 4.02 -1.26 -1.19 117.16 117.09 2i2p n TYR 37 Ca -0.34 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.51 2i2p n TYR 37 Cb 1.10 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.29 2i2p n TYR 37 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2i2p n GLU 38 N 0.00 1.28 0.13 -0.72 -0.00 -1.26 -4.48 120.64 115.60 2i2p n GLU 38 Ca 0.00 -0.04 0.19 0.00 -0.00 0.00 0.00 57.16 57.31 2i2p n GLU 38 Cb 0.00 -1.39 0.78 0.00 -0.00 0.00 0.00 31.44 30.82 2i2p n GLU 38 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2i2p h LYS 39 N 0.00 0.00 0.00 3.44 1.57 -1.55 -2.58 116.57 117.45 2i2p h LYS 39 Ca -0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 2i2p h LYS 39 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 2i2p h LYS 39 CO 0.02 0.00 -0.13 -1.00 -0.57 0.00 0.00 179.45 177.77 2i2p h PRO 40 N 0.00 0.08 -0.14 3.15 0.13 -1.79 -2.63 132.00 130.81 2i2p h PRO 40 Ca 0.15 -0.09 0.04 0.00 -0.87 0.00 0.00 66.00 65.23 2i2p h PRO 40 Cb 0.80 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2i2p h PRO 40 CO -0.00 0.88 0.58 1.15 -0.23 0.00 0.00 178.00 180.38 2i2p h THR 41 N -0.67 0.06 0.00 1.56 2.02 -1.72 0.42 112.91 114.59 2i2p h THR 41 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2i2p h THR 41 Cb 0.93 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2i2p h THR 41 CO 0.03 0.00 -0.30 0.35 0.37 0.00 0.00 175.52 175.96 2i2p n THR 42 N -2.95 0.73 0.05 3.16 -2.24 -1.21 -3.96 114.28 107.86 2i2p n THR 42 Ca 0.02 0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2i2p n THR 42 Cb 0.66 -1.95 -0.08 0.00 -2.10 0.00 0.00 70.33 66.86 2i2p n THR 42 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2i2p h GLU 43 N -0.51 -0.07 -0.02 -0.78 4.57 -1.07 1.37 114.58 118.08 2i2p h GLU 43 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2i2p h GLU 43 Cb 0.30 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2i2p h GLU 43 CO 0.00 0.06 0.14 -0.09 -1.18 0.00 0.00 179.01 177.94 2i2p h ARG 44 N -0.18 0.00 -0.09 1.92 9.65 -0.39 0.61 114.38 125.90 2i2p h ARG 44 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2i2p h ARG 44 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2i2p h ARG 44 CO 0.01 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.41 2i2p n LYS 45 N -3.12 1.03 -0.04 0.20 5.02 -0.67 -4.39 118.16 116.18 2i2p n LYS 45 Ca -0.02 -1.32 0.01 0.00 -2.02 0.00 0.00 58.31 54.96 2i2p n LYS 45 Cb 0.21 -1.20 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 2i2p n LYS 45 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2i2p n ARG 46 N 0.50 0.87 0.27 1.97 0.63 0.46 -4.14 116.66 117.22 2i2p n ARG 46 Ca 0.07 -0.09 0.16 0.00 -0.92 0.00 0.00 57.85 57.06 2i2p n ARG 46 Cb 0.29 -1.43 0.66 0.00 0.45 0.00 0.00 32.46 32.42 2i2p n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2p h ALA 47 N 1.28 1.02 -0.09 5.13 0.00 -0.49 -2.09 119.26 124.03 2i2p h ALA 47 Ca -0.21 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2i2p h ALA 47 Cb 1.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2i2p h ALA 47 CO 0.01 0.07 -0.27 1.57 0.00 0.00 0.00 179.25 180.63 2i2p h LYS 48 N 0.00 0.15 -0.72 0.00 5.09 -1.79 0.65 116.57 119.95 2i2p h LYS 48 Ca -0.00 -0.05 0.19 0.00 0.09 0.00 0.00 60.65 60.88 2i2p h LYS 48 Cb 0.53 -0.01 -0.04 0.00 0.10 0.00 0.00 32.23 32.81 2i2p h LYS 48 CO 0.01 0.42 0.51 0.00 -2.09 0.00 0.00 179.45 178.29 2i2p h ALA 49 N 1.59 2.48 0.00 0.07 0.00 -1.60 0.68 119.26 122.47 2i2p h ALA 49 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2i2p h ALA 49 Cb 0.56 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2i2p h ALA 49 CO 0.04 -0.69 -1.62 0.43 0.00 0.00 0.00 179.25 177.41 2i2p n SER 50 N -4.39 0.35 -1.00 0.00 7.64 -0.52 -4.12 113.62 111.59 2i2p n SER 50 Ca 0.14 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2i2p n SER 50 Cb 0.70 1.33 0.00 0.00 -1.01 0.00 0.00 64.21 65.23 2i2p n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i2p n ALA 51 N -2.25 2.21 0.00 -0.43 0.00 0.24 -2.53 120.51 117.75 2i2p n ALA 51 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2i2p n ALA 51 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2i2p n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2i2p n VAL 52 N 0.64 0.00 0.00 0.00 3.14 -1.17 -4.96 118.33 115.98 2i2p n VAL 52 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2i2p n VAL 52 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 2i2p n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66