#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n LYS 2 N 0.00 -3.81 -0.31 0.00 4.81 -1.26 -2.96 118.16 114.63 2i2p n LYS 2 Ca 0.00 2.85 0.11 0.00 -0.87 0.00 0.00 58.31 60.40 2i2p n LYS 2 Cb 0.00 -3.81 0.24 0.00 0.02 0.00 0.00 35.03 31.48 2i2p n LYS 2 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2i2p h GLN 3 N 4.33 0.06 -0.83 1.64 7.50 -2.00 0.90 115.11 126.71 2i2p h GLN 3 Ca -0.24 -0.00 0.13 0.00 0.50 0.00 0.00 58.65 59.04 2i2p h GLN 3 Cb 0.54 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.99 2i2p h GLN 3 CO 0.00 0.04 0.54 0.66 -1.50 0.00 0.00 178.83 178.57 2i2p h SER 4 N 0.06 0.59 0.06 1.46 4.64 -2.00 -0.88 113.55 117.49 2i2p h SER 4 Ca 0.53 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.75 2i2p h SER 4 Cb 1.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2i2p h SER 4 CO -0.82 0.32 -0.62 0.24 -0.87 0.00 0.00 176.83 175.08 2i2p h MET 5 N 0.64 0.13 -0.61 4.77 2.86 0.43 -3.04 114.93 120.12 2i2p h MET 5 Ca 0.40 -0.23 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 2i2p h MET 5 Cb 0.65 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.28 2i2p h MET 5 CO -0.16 1.11 -0.22 0.87 1.06 0.00 0.00 176.91 179.56 2i2p h LYS 6 N -0.70 -0.06 -0.20 1.72 1.57 0.08 0.04 116.57 119.03 2i2p h LYS 6 Ca -0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2i2p h LYS 6 Cb 1.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2i2p h LYS 6 CO 0.03 -0.04 0.10 0.00 -0.57 0.00 0.00 179.45 178.97 2i2p h ALA 7 N 1.40 0.25 -1.00 3.86 0.00 -1.32 -0.94 119.26 121.52 2i2p h ALA 7 Ca 0.28 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.38 2i2p h ALA 7 Cb 0.50 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2i2p h ALA 7 CO -0.66 -0.19 0.68 -0.09 0.00 0.00 0.00 179.25 178.99 2i2p h ARG 8 N 0.20 0.21 0.14 0.00 2.43 -0.94 0.25 114.38 116.66 2i2p h ARG 8 Ca 0.07 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.97 2i2p h ARG 8 Cb 0.11 -0.05 0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2i2p h ARG 8 CO -0.01 0.14 -1.08 1.49 -1.51 0.00 0.00 179.97 179.00 2i2p h GLU 9 N 0.22 0.49 -1.07 0.20 4.81 -0.43 -3.28 114.58 115.51 2i2p h GLU 9 Ca 0.52 -0.71 0.28 0.00 -0.13 0.00 0.00 59.36 59.32 2i2p h GLU 9 Cb 1.63 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 31.17 2i2p h GLU 9 CO -0.14 1.32 0.70 0.28 -0.73 0.00 0.00 179.01 180.44 2i2p h VAL 10 N 0.01 0.49 -0.10 0.32 2.07 0.82 0.31 116.25 120.17 2i2p h VAL 10 Ca -0.17 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2i2p h VAL 10 Cb 1.80 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2i2p h VAL 10 CO 0.20 0.06 0.03 0.11 0.02 0.00 0.00 177.57 178.00 2i2p h LYS 11 N 0.32 0.16 0.00 1.57 1.79 -1.51 -1.88 116.57 117.03 2i2p h LYS 11 Ca 0.60 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 2i2p h LYS 11 Cb 1.66 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 2i2p h LYS 11 CO -0.26 0.30 0.05 0.54 -1.08 0.00 0.00 179.45 179.00 2i2p n ARG 12 N -4.90 0.00 -0.12 3.15 5.12 0.11 -2.44 116.66 117.58 2i2p n ARG 12 Ca -0.06 0.36 -0.22 0.00 -1.93 0.00 0.00 57.85 56.00 2i2p n ARG 12 Cb 0.13 -1.55 -0.08 0.00 -1.16 0.00 0.00 32.46 29.81 2i2p n ARG 12 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2i2p n VAL 13 N -1.35 1.52 -0.36 1.55 0.31 -0.74 -4.47 118.33 114.79 2i2p n VAL 13 Ca 0.00 -0.17 0.07 0.00 -0.01 0.00 0.00 64.34 64.22 2i2p n VAL 13 Cb 0.05 -2.06 0.24 0.00 -0.91 0.00 0.00 33.84 31.16 2i2p n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2p h ALA 14 N -0.97 1.52 -0.88 3.52 0.00 -1.11 -1.72 119.26 119.62 2i2p h ALA 14 Ca -0.43 0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.66 2i2p h ALA 14 Cb 1.36 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2i2p h ALA 14 CO -0.26 0.24 0.57 1.37 0.00 0.00 0.00 179.25 181.17 2i2p h LEU 15 N 1.01 0.54 -0.49 0.00 8.10 -1.73 0.85 115.31 123.59 2i2p h LEU 15 Ca 0.48 0.04 -0.16 0.00 0.11 0.00 0.00 57.88 58.36 2i2p h LEU 15 Cb 0.45 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.60 2i2p h LEU 15 CO -0.25 0.25 -0.45 0.00 -4.11 0.00 0.00 178.44 173.89 2i2p h ALA 16 N 1.61 0.67 0.00 0.17 0.00 -1.53 -0.68 119.26 119.50 2i2p h ALA 16 Ca 0.45 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i2p h ALA 16 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2i2p h ALA 16 CO -0.20 0.67 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 2i2p n ASP 17 N -4.02 0.00 0.00 0.00 8.00 0.27 0.91 116.55 121.71 2i2p n ASP 17 Ca -0.02 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2i2p n ASP 17 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2i2p n ASP 17 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2i2p n LYS 18 N -0.75 0.00 0.36 -1.24 4.76 -0.82 -4.60 118.16 115.87 2i2p n LYS 18 Ca 0.05 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.31 2i2p n LYS 18 Cb 0.02 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.13 2i2p n LYS 18 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2i2p h TYR 19 N 0.00 -0.94 0.00 2.13 0.99 -1.29 -2.88 116.97 114.98 2i2p h TYR 19 Ca 0.00 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2i2p h TYR 19 Cb 0.00 0.32 -0.00 0.00 1.00 0.00 0.00 36.73 38.05 2i2p h TYR 19 CO 0.00 -0.56 -0.03 0.74 -0.00 0.00 0.00 178.16 178.31 2i2p h PHE 20 N -0.94 0.00 0.00 4.88 0.04 -1.61 -1.24 116.94 118.06 2i2p h PHE 20 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2i2p h PHE 20 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2i2p h PHE 20 CO -0.06 0.03 0.18 0.00 -0.60 0.00 0.00 178.31 177.86 2i2p h ALA 21 N 1.97 1.13 0.00 2.45 0.00 0.76 -3.37 119.26 122.20 2i2p h ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i2p h ALA 21 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2i2p h ALA 21 CO 0.00 -0.13 0.00 1.17 0.00 0.00 0.00 179.25 180.29 2i2p n LYS 22 N -2.24 0.00 0.00 0.00 4.81 -1.17 -4.93 118.16 114.63 2i2p n LYS 22 Ca -0.01 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2i2p n LYS 22 Cb 0.21 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.29 2i2p n LYS 22 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2i2p n ARG 23 N -2.27 0.01 0.00 1.64 0.63 -0.54 -1.88 116.66 114.26 2i2p n ARG 23 Ca 0.00 0.33 0.03 0.00 -0.92 0.00 0.00 57.85 57.29 2i2p n ARG 23 Cb 0.00 -1.50 0.40 0.00 0.45 0.00 0.00 32.46 31.81 2i2p n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2p h ALA 24 N 2.05 1.63 0.00 5.13 0.00 -1.54 -1.95 119.26 124.59 2i2p h ALA 24 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i2p h ALA 24 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2i2p h ALA 24 CO 0.00 0.31 -1.44 -0.85 0.00 0.00 0.00 179.25 177.27 2i2p n GLU 25 N -4.43 0.62 0.00 0.00 -0.00 -0.79 -3.29 120.64 112.75 2i2p n GLU 25 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2i2p n GLU 25 Cb 0.10 -1.69 0.00 0.00 -0.00 0.00 0.00 31.44 29.86 2i2p n GLU 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2i2p n LEU 26 N -2.47 0.00 0.00 -1.84 7.94 -0.73 -0.72 117.00 119.17 2i2p n LEU 26 Ca -0.02 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2i2p n LEU 26 Cb 0.56 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.13 2i2p n LEU 26 CO 0.43 -0.37 -0.26 2.29 -1.11 0.00 0.00 177.39 178.36 2i2p n LYS 27 N -1.37 2.74 0.11 1.96 -0.00 -1.24 -4.80 118.16 115.56 2i2p n LYS 27 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 2i2p n LYS 27 Cb 0.12 -0.76 -0.07 0.00 -0.00 0.00 0.00 35.03 34.32 2i2p n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2p h ALA 28 N 0.00 -0.23 -0.71 0.58 0.00 -0.91 -1.87 119.26 116.13 2i2p h ALA 28 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2i2p h ALA 28 Cb 0.08 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2i2p h ALA 28 CO 0.00 -0.64 0.48 0.82 0.00 0.00 0.00 179.25 179.91 2i2p h ILE 29 N -0.25 0.77 -0.13 0.00 2.04 -1.80 0.82 117.51 118.97 2i2p h ILE 29 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2i2p h ILE 29 Cb 0.22 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2i2p h ILE 29 CO -0.01 0.06 0.00 -0.38 0.00 0.00 0.00 178.15 177.82 2i2p n ILE 30 N -4.45 0.17 -0.11 -0.67 -0.00 -0.77 -3.78 119.36 109.75 2i2p n ILE 30 Ca 0.13 -0.24 -0.15 0.00 -0.00 0.00 0.00 62.75 62.50 2i2p n ILE 30 Cb 0.56 0.14 -0.12 0.00 -0.00 0.00 0.00 39.64 40.22 2i2p n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2i2p n SER 31 N -0.03 1.68 -4.95 4.38 7.64 0.28 -4.67 113.62 117.95 2i2p n SER 31 Ca 0.14 -0.10 -0.24 0.00 1.01 0.00 0.00 58.87 59.68 2i2p n SER 31 Cb 0.23 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 2i2p n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2i2p s ASP 32 N -6.08 6.33 -0.82 6.43 2.15 -1.02 -4.97 116.67 118.68 2i2p s ASP 32 Ca -0.27 0.16 -0.27 0.00 0.43 0.00 0.00 52.55 52.60 2i2p s ASP 32 Cb 0.08 -1.90 -0.18 0.00 -0.30 0.00 0.00 42.92 40.62 2i2p s ASP 32 CO 0.61 -0.01 2.55 0.52 -0.17 0.00 0.00 175.17 178.67 2i2p n VAL 33 N -0.91 -0.03 -2.37 1.11 0.31 -1.26 -4.66 118.33 110.52 2i2p n VAL 33 Ca -0.07 -0.33 0.02 0.00 -0.01 0.00 0.00 64.34 63.95 2i2p n VAL 33 Cb 0.55 -1.28 0.01 0.00 -0.91 0.00 0.00 33.84 32.20 2i2p n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2i2p n ASN 34 N 12.28 0.62 -4.76 4.52 4.13 -1.26 -5.13 115.26 125.66 2i2p n ASN 34 Ca 0.56 -1.98 -0.37 0.00 1.68 0.00 0.00 54.58 54.47 2i2p n ASN 34 Cb 0.23 -0.21 0.02 0.00 -1.54 0.00 0.00 39.78 38.27 2i2p n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i2p s ALA 35 N 0.00 2.77 0.00 5.41 0.00 -1.26 -5.04 121.76 123.63 2i2p s ALA 35 Ca 0.25 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2i2p s ALA 35 Cb 0.29 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2i2p s ALA 35 CO -0.13 -0.98 0.00 0.54 0.00 0.00 0.00 175.76 175.19 2i2p n ARG 40 N -1.06 0.00 -0.52 0.00 1.74 -1.26 -5.25 116.66 110.31 2i2p n ARG 40 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2i2p n ARG 40 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 2i2p n ARG 40 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2i2p n TRP 41 N 0.00 -0.97 0.00 -1.55 5.03 -1.26 -5.06 117.44 113.63 2i2p n TRP 41 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2i2p n TRP 41 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 2i2p n TRP 41 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2i2p n ASN 42 N -1.07 0.34 -0.16 -0.99 4.13 -1.26 -4.84 115.26 111.41 2i2p n ASN 42 Ca 0.00 -0.04 -0.05 0.00 1.68 0.00 0.00 54.58 56.17 2i2p n ASN 42 Cb 0.00 0.15 0.01 0.00 -1.54 0.00 0.00 39.78 38.40 2i2p n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2i2p h ALA 43 N 0.00 0.02 -0.44 5.41 0.00 -1.97 0.99 119.26 123.28 2i2p h ALA 43 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2i2p h ALA 43 Cb 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2i2p h ALA 43 CO 0.00 -0.63 0.26 0.28 0.00 0.00 0.00 179.25 179.17 2i2p h VAL 44 N -0.16 1.14 0.00 0.00 2.07 -1.93 0.49 116.25 117.86 2i2p h VAL 44 Ca 0.22 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2i2p h VAL 44 Cb 0.51 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2i2p h VAL 44 CO -0.58 0.14 -0.16 -0.07 0.02 0.00 0.00 177.57 176.92 2i2p h LEU 45 N 0.58 0.00 0.00 2.57 3.38 -1.45 -2.45 115.31 117.94 2i2p h LEU 45 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2i2p h LEU 45 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2i2p h LEU 45 CO -0.03 0.16 -0.14 0.50 0.09 0.00 0.00 178.44 179.02 2i2p h LYS 46 N 0.00 0.00 -1.17 1.13 3.11 0.20 -3.29 116.57 116.55 2i2p h LYS 46 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2i2p h LYS 46 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2i2p h LYS 46 CO 0.02 0.54 0.00 -0.11 -2.81 0.00 0.00 179.45 177.09 2i2p n LEU 47 N -4.66 2.73 -4.57 5.20 7.94 0.16 -4.69 117.00 119.11 2i2p n LEU 47 Ca -0.08 -1.35 -0.43 0.00 -1.11 0.00 0.00 56.01 53.04 2i2p n LEU 47 Cb 0.29 -0.46 -0.00 0.00 0.53 0.00 0.00 43.42 43.77 2i2p n LEU 47 CO 0.18 0.46 1.87 -1.58 -1.11 0.00 0.00 177.39 177.21 2i2p s GLN 48 N 0.13 3.93 -0.28 1.96 2.00 -0.93 -4.64 119.66 121.83 2i2p s GLN 48 Ca 0.00 -1.88 0.18 0.00 -2.00 0.00 0.00 55.36 51.66 2i2p s GLN 48 Cb 0.00 -5.49 0.49 0.00 0.80 0.00 0.00 33.01 28.81 2i2p s GLN 48 CO 0.00 -2.23 1.11 2.41 -0.50 0.00 0.00 175.29 176.08 2i2p n THR 49 N 6.41 1.55 -0.12 -0.34 -1.04 -1.26 -4.85 114.28 114.62 2i2p n THR 49 Ca 0.46 -3.29 -0.23 0.00 -2.04 0.00 0.00 64.05 58.95 2i2p n THR 49 Cb 0.47 0.62 -0.10 0.00 -1.82 0.00 0.00 70.33 69.50 2i2p n THR 49 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2i2p n LEU 50 N -0.56 2.25 -4.45 -4.42 0.00 -1.26 -4.81 117.00 103.75 2i2p n LEU 50 Ca 0.16 0.13 -0.44 0.00 0.00 0.00 0.00 56.01 55.87 2i2p n LEU 50 Cb 0.83 -0.77 -0.02 0.00 0.00 0.00 0.00 43.42 43.46 2i2p n LEU 50 CO 0.17 0.67 1.00 -2.16 0.00 0.00 0.00 177.39 177.08 2i2p s PRO 51 N -2.46 3.64 0.00 1.96 0.04 -1.26 -4.83 135.00 132.08 2i2p s PRO 51 Ca -0.34 -1.85 0.00 0.00 0.04 0.00 0.00 61.00 58.85 2i2p s PRO 51 Cb 0.11 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.74 2i2p s PRO 51 CO 0.48 -1.76 0.00 -2.13 0.04 0.00 0.00 177.00 173.63 2i2p n ARG 52 N 6.40 0.00 0.00 4.56 3.00 -1.26 -4.58 116.66 124.78 2i2p n ARG 52 Ca 0.25 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.16 2i2p n ARG 52 Cb 0.49 0.00 0.36 0.00 0.00 0.00 0.00 32.46 33.31 2i2p n ARG 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2i2p n ASP 53 N -0.63 0.00 -4.49 6.15 2.03 -1.26 -4.49 116.55 113.85 2i2p n ASP 53 Ca 0.00 -0.18 -0.35 0.00 0.52 0.00 0.00 54.79 54.78 2i2p n ASP 53 Cb 0.00 -0.13 -0.12 0.00 -0.72 0.00 0.00 41.12 40.15 2i2p n ASP 53 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2i2p s SER 54 N -2.27 5.06 -0.28 1.67 1.04 -1.26 -4.69 113.70 112.97 2i2p s SER 54 Ca 0.16 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 2i2p s SER 54 Cb 0.09 -1.87 0.10 0.00 0.10 0.00 0.00 66.02 64.43 2i2p s SER 54 CO 0.17 0.07 0.79 -0.94 0.98 0.00 0.00 173.24 174.32 2i2p s SER 55 N 0.98 -0.76 0.00 7.02 1.04 -1.26 -4.68 113.70 116.03 2i2p s SER 55 Ca 0.02 1.28 0.01 0.00 0.48 0.00 0.00 55.95 57.74 2i2p s SER 55 Cb -0.14 1.31 0.04 0.00 0.10 0.00 0.00 66.02 67.33 2i2p s SER 55 CO 0.02 -0.21 0.57 -0.81 0.98 0.00 0.00 173.24 173.80 2i2p n PRO 56 N 3.65 0.54 -0.08 4.02 -0.04 -1.26 -2.15 135.00 139.68 2i2p n PRO 56 Ca -0.18 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.29 2i2p n PRO 56 Cb 0.58 -1.02 0.02 0.00 -0.04 0.00 0.00 33.50 33.03 2i2p n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2i2p n SER 57 N -0.52 0.89 -0.29 3.54 7.64 -1.26 -4.75 113.62 118.88 2i2p n SER 57 Ca 0.00 -1.70 0.03 0.00 1.01 0.00 0.00 58.87 58.21 2i2p n SER 57 Cb 0.00 -0.08 0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2i2p n SER 57 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2i2p n ARG 58 N -0.32 2.77 -3.48 1.43 1.85 -0.91 -4.98 116.66 113.02 2i2p n ARG 58 Ca 0.02 -1.71 -0.38 0.00 -1.00 0.00 0.00 57.85 54.78 2i2p n ARG 58 Cb 0.47 -1.12 -0.09 0.00 -1.05 0.00 0.00 32.46 30.67 2i2p n ARG 58 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2i2p s GLN 59 N -0.97 4.09 0.64 2.89 1.11 -1.26 -5.02 119.66 121.15 2i2p s GLN 59 Ca 0.10 -0.00 0.02 0.00 0.01 0.00 0.00 55.36 55.50 2i2p s GLN 59 Cb 0.06 -3.58 0.10 0.00 -1.01 0.00 0.00 33.01 28.58 2i2p s GLN 59 CO 0.07 -0.08 0.89 -0.98 0.01 0.00 0.00 175.29 175.20 2i2p s ARG 60 N 1.46 2.02 0.00 2.91 3.03 -1.26 -5.09 118.95 122.02 2i2p s ARG 60 Ca 0.14 -1.18 0.00 0.00 2.03 0.00 0.00 55.73 56.72 2i2p s ARG 60 Cb -0.15 -2.45 0.00 0.00 -1.03 0.00 0.00 34.95 31.32 2i2p s ARG 60 CO 0.08 -1.13 0.00 0.09 -1.13 0.00 0.00 175.30 173.20 2i2p n ASN 61 N -2.57 0.00 -0.73 -2.89 4.13 -1.26 -5.13 115.26 106.82 2i2p n ASN 61 Ca 0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.40 2i2p n ASN 61 Cb 0.61 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2i2p n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2i2p n ARG 62 N -2.20 -1.97 -1.30 3.52 1.74 -1.23 -4.74 116.66 110.48 2i2p n ARG 62 Ca 0.00 1.44 -0.58 0.00 -0.77 0.00 0.00 57.85 57.95 2i2p n ARG 62 Cb 0.00 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 29.77 2i2p n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i2p n ARG 64 N 7.68 -0.28 0.26 0.00 1.74 0.25 0.14 116.66 126.45 2i2p n ARG 64 Ca 0.51 1.49 -0.16 0.00 -0.77 0.00 0.00 57.85 58.92 2i2p n ARG 64 Cb 0.03 -2.21 -0.08 0.00 -1.02 0.00 0.00 32.46 29.18 2i2p n ARG 64 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2i2p h GLN 65 N 0.00 -0.77 0.00 5.56 5.75 -1.87 -3.42 115.11 120.36 2i2p h GLN 65 Ca 0.29 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 2i2p h GLN 65 Cb 0.53 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.26 2i2p h GLN 65 CO -0.95 -0.51 0.00 0.25 -2.65 0.00 0.00 178.83 174.96 2i2p n THR 66 N -5.48 0.00 0.00 2.39 -2.24 0.07 -5.08 114.28 103.94 2i2p n THR 66 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2i2p n THR 66 Cb 0.37 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2i2p n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i2p n GLY 67 N 3.07 0.00 3.64 3.38 0.00 0.12 -4.80 105.19 110.60 2i2p n GLY 67 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2i2p n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i2p s ARG 68 N 0.00 4.01 0.00 1.61 3.52 -1.26 -0.77 118.95 126.05 2i2p s ARG 68 Ca 0.00 1.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.21 2i2p s ARG 68 Cb 0.00 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2i2p s ARG 68 CO 0.00 -1.02 0.41 -0.35 -0.81 0.00 0.00 175.30 173.54 2i2p n PRO 69 N 7.19 0.60 -3.90 5.12 -0.04 -1.26 -1.26 135.00 141.44 2i2p n PRO 69 Ca 0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2i2p n PRO 69 Cb 0.45 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 2i2p n PRO 69 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2i2p s HIS 70 N -0.47 0.16 -1.05 0.54 3.76 -1.26 -4.75 115.29 112.22 2i2p s HIS 70 Ca 0.00 -0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 2i2p s HIS 70 Cb 0.00 -0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.57 2i2p s HIS 70 CO 0.00 -0.40 0.89 0.41 -0.85 0.00 0.00 174.74 174.78 2i2p n GLY 71 N 0.64 -0.38 3.93 -2.22 0.00 -1.26 -4.77 105.19 101.12 2i2p n GLY 71 Ca -0.18 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2i2p n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2i2p s PHE 72 N -3.33 3.48 -0.17 1.61 2.19 -1.26 -2.68 117.98 117.82 2i2p s PHE 72 Ca 0.06 0.36 -0.01 0.00 0.33 0.00 0.00 56.93 57.68 2i2p s PHE 72 Cb -0.01 -1.87 0.05 0.00 -1.31 0.00 0.00 43.02 39.88 2i2p s PHE 72 CO 0.66 0.35 -0.03 -0.51 1.83 0.00 0.00 175.22 177.52 2i2p s LEU 73 N -3.39 1.57 0.13 6.12 1.02 -1.18 -5.00 118.68 117.95 2i2p s LEU 73 Ca 0.39 -0.72 -0.22 0.00 0.02 0.00 0.00 54.13 53.60 2i2p s LEU 73 Cb -0.11 -0.85 -0.03 0.00 0.02 0.00 0.00 46.19 45.23 2i2p s LEU 73 CO 0.29 -0.22 1.67 -0.09 0.02 0.00 0.00 176.35 178.03 2i2p h ARG 74 N 8.14 -0.16 0.00 1.70 2.43 -1.96 0.91 114.38 125.44 2i2p h ARG 74 Ca -0.21 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2i2p h ARG 74 Cb 1.11 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2i2p h ARG 74 CO 0.38 -0.10 0.34 -0.22 -1.51 0.00 0.00 179.97 178.85 2i2p h LYS 75 N -0.16 0.00 0.00 0.20 1.63 -2.00 -3.37 116.57 112.87 2i2p h LYS 75 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2i2p h LYS 75 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2i2p h LYS 75 CO -0.22 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 176.97 2i2p n PHE 76 N -2.66 0.00 0.00 1.91 3.01 -0.27 -5.09 117.46 114.37 2i2p n PHE 76 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2i2p n PHE 76 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 2i2p n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2i2p n GLY 77 N 4.86 0.17 4.03 1.37 0.00 0.15 -5.00 105.19 110.79 2i2p n GLY 77 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2i2p n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2p s LEU 78 N 0.00 3.04 0.31 0.99 1.43 -1.26 0.87 118.68 124.06 2i2p s LEU 78 Ca 0.00 -0.85 0.07 0.00 -1.03 0.00 0.00 54.13 52.32 2i2p s LEU 78 Cb 0.00 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2i2p s LEU 78 CO 0.00 -1.45 0.30 -0.44 0.23 0.00 0.00 176.35 174.99 2i2p s SER 79 N -4.71 5.51 0.21 2.29 0.01 -1.26 -3.07 113.70 112.68 2i2p s SER 79 Ca 0.63 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.54 2i2p s SER 79 Cb -0.05 -1.16 0.50 0.00 0.21 0.00 0.00 66.02 65.52 2i2p s SER 79 CO 0.40 -0.28 1.06 -2.11 0.41 0.00 0.00 173.24 172.73 2i2p n ARG 80 N -1.37 -0.05 0.28 12.44 1.85 -1.09 -1.45 116.66 127.26 2i2p n ARG 80 Ca -0.03 1.02 -0.11 0.00 -1.00 0.00 0.00 57.85 57.72 2i2p n ARG 80 Cb 0.59 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 2i2p n ARG 80 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 2i2p h ILE 81 N 0.00 0.00 0.41 8.89 -0.00 -1.95 -2.17 117.51 122.70 2i2p h ILE 81 Ca 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 65.26 2i2p h ILE 81 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 36.82 37.63 2i2p h ILE 81 CO -0.64 0.00 -0.36 0.11 -0.00 0.00 0.00 178.15 177.26 2i2p h LYS 82 N -0.73 -0.75 -0.14 0.16 1.79 -1.72 0.25 116.57 115.44 2i2p h LYS 82 Ca -0.07 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2i2p h LYS 82 Cb 0.56 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2i2p h LYS 82 CO 0.11 -0.50 -0.12 0.28 -1.08 0.00 0.00 179.45 178.14 2i2p h VAL 83 N -0.78 0.00 -0.31 0.50 2.07 -1.34 1.23 116.25 117.63 2i2p h VAL 83 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2i2p h VAL 83 Cb 0.68 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 2i2p h VAL 83 CO -0.03 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 177.09 2i2p h ARG 84 N -0.05 -0.33 -0.72 1.57 2.43 -1.39 0.57 114.38 116.46 2i2p h ARG 84 Ca 0.02 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 2i2p h ARG 84 Cb 0.11 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.64 2i2p h ARG 84 CO -0.15 -0.22 0.24 1.49 -1.51 0.00 0.00 179.97 179.82 2i2p h GLU 85 N -0.34 0.36 0.11 0.20 4.22 -0.01 -0.65 114.58 118.46 2i2p h GLU 85 Ca 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 2i2p h GLU 85 Cb 0.57 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2i2p h GLU 85 CO -0.50 0.24 -0.05 0.00 -2.18 0.00 0.00 179.01 176.51 2i2p h ALA 86 N 1.55 -0.15 -1.04 2.92 0.00 0.27 -3.18 119.26 119.63 2i2p h ALA 86 Ca 0.40 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 55.34 2i2p h ALA 86 Cb 0.63 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 2i2p h ALA 86 CO -0.43 -0.30 0.65 0.00 0.00 0.00 0.00 179.25 179.17 2i2p h ALA 87 N 0.04 2.09 -0.59 0.00 0.00 0.46 0.34 119.26 121.60 2i2p h ALA 87 Ca -0.02 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2i2p h ALA 87 Cb 0.54 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2i2p h ALA 87 CO 0.03 -0.55 0.21 0.52 0.00 0.00 0.00 179.25 179.45 2i2p h MET 88 N 0.44 0.37 -0.08 0.00 2.86 -1.10 -2.50 114.93 114.91 2i2p h MET 88 Ca 0.63 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 58.12 2i2p h MET 88 Cb 1.48 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 33.06 2i2p h MET 88 CO -0.38 0.24 -0.45 0.00 1.06 0.00 0.00 176.91 177.38 2i2p h ARG 89 N 0.38 0.45 0.00 1.72 3.08 -0.46 -3.48 114.38 116.06 2i2p h ARG 89 Ca 0.30 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2i2p h ARG 89 Cb 0.38 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2i2p h ARG 89 CO -0.31 1.01 0.00 0.41 -1.07 0.00 0.00 179.97 180.01 2i2p n GLY 90 N 0.74 1.52 0.89 0.04 0.00 -0.29 -5.01 105.19 103.08 2i2p n GLY 90 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2i2p n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i2p n GLU 91 N 0.00 2.27 -3.62 1.61 1.02 -1.21 -4.66 120.64 116.05 2i2p n GLU 91 Ca 0.00 -1.20 -0.23 0.00 -0.02 0.00 0.00 57.16 55.71 2i2p n GLU 91 Cb 0.00 -1.61 -0.17 0.00 -0.02 0.00 0.00 31.44 29.64 2i2p n GLU 91 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2i2p s ILE 92 N -1.67 -0.13 0.08 -3.67 1.01 -1.26 -4.97 121.20 110.59 2i2p s ILE 92 Ca 0.21 0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 2i2p s ILE 92 Cb 0.15 -0.46 -0.09 0.00 0.01 0.00 0.00 42.46 42.06 2i2p s ILE 92 CO 0.09 -0.13 1.82 -2.16 0.00 0.00 0.00 174.94 174.56 2i2p s PRO 93 N 2.18 4.15 -0.80 2.79 0.04 -1.26 -3.63 135.00 138.47 2i2p s PRO 93 Ca 0.03 2.53 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 2i2p s PRO 93 Cb -0.15 -3.75 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 2i2p s PRO 93 CO -0.08 -0.85 0.73 0.41 0.04 0.00 0.00 177.00 177.25 2i2p n GLY 94 N 4.26 -1.09 2.56 0.56 0.00 -1.26 -5.00 105.19 105.22 2i2p n GLY 94 Ca 0.18 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 2i2p n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2i2p n LEU 95 N -2.31 0.99 -4.78 0.99 7.94 -1.24 -5.11 117.00 113.48 2i2p n LEU 95 Ca -0.03 -3.98 -0.36 0.00 -1.11 0.00 0.00 56.01 50.53 2i2p n LEU 95 Cb 0.55 0.48 -0.04 0.00 0.53 0.00 0.00 43.42 44.94 2i2p n LEU 95 CO 0.51 1.76 0.74 -1.59 -1.11 0.00 0.00 177.39 177.70 2i2p s LYS 96 N -2.66 4.12 -0.19 1.96 -2.85 -1.26 -4.91 119.74 113.94 2i2p s LYS 96 Ca 0.29 1.51 -0.35 0.00 -1.00 0.00 0.00 55.97 56.43 2i2p s LYS 96 Cb 0.43 -2.50 -0.12 0.00 -2.06 0.00 0.00 37.83 33.58 2i2p s LYS 96 CO 0.00 -0.18 1.96 1.17 0.10 0.00 0.00 175.35 178.39 2i2p n LYS 97 N -0.16 1.77 -1.94 1.78 0.00 -1.26 -4.90 118.16 113.45 2i2p n LYS 97 Ca 0.05 0.61 -0.38 0.00 0.00 0.00 0.00 58.31 58.60 2i2p n LYS 97 Cb 0.50 -2.57 0.03 0.00 0.00 0.00 0.00 35.03 32.98 2i2p n LYS 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2p s ALA 98 N 5.04 2.82 -0.38 3.14 0.00 -1.26 -5.00 121.76 126.12 2i2p s ALA 98 Ca 0.98 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 54.09 2i2p s ALA 98 Cb -0.76 -3.50 0.20 0.00 0.00 0.00 0.00 23.12 19.06 2i2p s ALA 98 CO 0.52 -1.15 0.98 -1.54 0.00 0.00 0.00 175.76 174.57 2i2p s SER 99 N -1.15 -0.61 0.00 0.00 1.04 -1.26 -5.31 113.70 106.41 2i2p s SER 99 Ca 0.70 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2i2p s SER 99 Cb -0.36 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2i2p s SER 99 CO 0.42 -0.03 0.45 0.79 0.98 0.00 0.00 173.24 175.85