#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p h LYS 13 N 0.00 0.18 -4.23 5.56 1.57 -1.93 -3.48 116.57 114.24 2i2p h LYS 13 Ca 0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2i2p h LYS 13 Cb 0.00 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.19 2i2p h LYS 13 CO 0.00 0.12 -0.95 1.04 -0.57 0.00 0.00 179.45 179.09 2i2p n GLN 14 N -4.48 -2.77 -0.07 3.15 1.13 -1.22 -5.03 117.38 108.08 2i2p n GLN 14 Ca 0.03 2.29 -0.11 0.00 -1.94 0.00 0.00 57.00 57.27 2i2p n GLN 14 Cb 0.25 -3.53 -0.06 0.00 0.11 0.00 0.00 30.24 27.00 2i2p n GLN 14 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2i2p n VAL 15 N 0.98 0.78 0.00 5.09 0.31 -1.21 -4.98 118.33 119.30 2i2p n VAL 15 Ca -0.24 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2i2p n VAL 15 Cb 0.37 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2i2p n VAL 15 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2i2p n SER 16 N -3.07 0.00 -4.04 4.52 7.64 -0.88 -4.73 113.62 113.06 2i2p n SER 16 Ca -0.25 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.30 2i2p n SER 16 Cb 0.74 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.81 2i2p n SER 16 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2i2p s ASP 17 N 0.00 4.88 0.34 6.43 1.11 -1.26 -1.17 116.67 127.00 2i2p s ASP 17 Ca 0.00 -2.46 0.05 0.00 0.18 0.00 0.00 52.55 50.31 2i2p s ASP 17 Cb 0.00 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.25 2i2p s ASP 17 CO 0.00 -0.39 0.17 0.61 1.18 0.00 0.00 175.17 176.74 2i2p n GLY 18 N 3.92 3.25 2.23 0.21 0.00 -1.25 -4.22 105.19 109.33 2i2p n GLY 18 Ca 0.03 -2.02 -0.18 0.00 0.00 0.00 0.00 46.02 43.85 2i2p n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2p n VAL 19 N -0.74 0.00 -2.82 1.61 0.31 0.54 -3.43 118.33 113.81 2i2p n VAL 19 Ca -0.01 -1.40 -0.01 0.00 -0.01 0.00 0.00 64.34 62.91 2i2p n VAL 19 Cb 0.54 0.11 0.01 0.00 -0.91 0.00 0.00 33.84 33.59 2i2p n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2p s ALA 20 N -2.51 -3.74 0.54 3.52 0.00 -1.25 -1.47 121.76 116.85 2i2p s ALA 20 Ca 0.07 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 2i2p s ALA 20 Cb -0.01 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 2i2p s ALA 20 CO 0.04 -2.42 1.16 -1.01 0.00 0.00 0.00 175.76 173.53 2i2p s HIS 21 N 1.50 2.63 -0.22 0.00 3.76 -0.98 -3.74 115.29 118.24 2i2p s HIS 21 Ca 0.20 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 56.65 2i2p s HIS 21 Cb 0.04 -3.36 0.04 0.00 1.11 0.00 0.00 32.58 30.41 2i2p s HIS 21 CO -0.11 -1.74 -0.14 0.42 -0.85 0.00 0.00 174.74 172.32 2i2p s ILE 22 N -1.68 2.25 -0.65 0.60 1.09 0.11 -2.61 121.20 120.31 2i2p s ILE 22 Ca 0.72 -1.22 -0.17 0.00 -1.10 0.00 0.00 60.65 58.88 2i2p s ILE 22 Cb -0.27 -2.13 0.14 0.00 -1.06 0.00 0.00 42.46 39.14 2i2p s ILE 22 CO 0.30 0.26 0.68 -2.28 -0.10 0.00 0.00 174.94 173.80 2i2p s HIS 23 N 1.22 3.25 -0.57 3.97 2.46 -0.90 -1.24 115.29 123.48 2i2p s HIS 23 Ca -0.01 -1.31 -0.16 0.00 0.47 0.00 0.00 55.06 54.04 2i2p s HIS 23 Cb -0.16 -3.92 0.14 0.00 -0.13 0.00 0.00 32.58 28.50 2i2p s HIS 23 CO -0.08 -1.16 0.54 0.00 -2.47 0.00 0.00 174.74 171.57 2i2p s ALA 24 N 1.81 3.68 -0.05 1.58 0.00 -1.11 -1.87 121.76 125.80 2i2p s ALA 24 Ca 0.11 -2.60 -0.05 0.00 0.00 0.00 0.00 51.96 49.43 2i2p s ALA 24 Cb -0.22 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2i2p s ALA 24 CO 0.01 -2.07 0.18 -1.54 0.00 0.00 0.00 175.76 172.34 2i2p s SER 25 N 3.47 6.40 0.64 0.00 1.04 0.27 0.19 113.70 125.71 2i2p s SER 25 Ca 0.05 0.44 0.15 0.00 0.48 0.00 0.00 55.95 57.07 2i2p s SER 25 Cb -0.28 -2.05 0.67 0.00 0.10 0.00 0.00 66.02 64.46 2i2p s SER 25 CO 0.02 0.32 1.32 -0.26 0.98 0.00 0.00 173.24 175.62 2i2p h PHE 26 N 4.32 0.00 0.00 5.02 -1.00 -1.92 0.42 116.94 123.78 2i2p h PHE 26 Ca -0.52 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.23 2i2p h PHE 26 Cb 1.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 2i2p h PHE 26 CO 0.71 0.00 -1.45 0.09 -1.61 0.00 0.00 178.31 176.04 2i2p n ASN 27 N -2.90 2.94 -3.41 2.17 4.13 -1.26 -4.72 115.26 112.21 2i2p n ASN 27 Ca 0.08 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.23 2i2p n ASN 27 Cb 1.04 1.24 -0.02 0.00 -1.54 0.00 0.00 39.78 40.49 2i2p n ASN 27 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2i2p s ASN 28 N -3.29 0.18 -0.21 6.41 2.47 0.14 -4.13 114.94 116.51 2i2p s ASN 28 Ca -0.04 -1.10 -0.17 0.00 0.42 0.00 0.00 52.86 51.97 2i2p s ASN 28 Cb 0.05 0.72 0.06 0.00 -1.45 0.00 0.00 41.25 40.63 2i2p s ASN 28 CO 0.37 -1.40 0.55 -0.89 -3.72 0.00 0.00 177.10 172.01 2i2p s THR 29 N -3.16 -0.00 -0.06 -5.21 2.01 -1.25 0.98 115.64 108.94 2i2p s THR 29 Ca 0.20 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2i2p s THR 29 Cb -0.03 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2i2p s THR 29 CO 0.13 0.01 -0.12 0.27 -0.69 0.00 0.00 174.62 174.21 2i2p s ILE 30 N 0.68 1.12 -0.40 1.82 -5.25 -0.78 -0.89 121.20 117.50 2i2p s ILE 30 Ca -0.03 -0.49 -0.13 0.00 -0.99 0.00 0.00 60.65 59.01 2i2p s ILE 30 Cb -0.05 -1.02 0.03 0.00 2.95 0.00 0.00 42.46 44.38 2i2p s ILE 30 CO -0.05 0.35 0.27 -0.69 -1.79 0.00 0.00 174.94 173.03 2i2p s VAL 31 N 0.57 4.91 -0.38 8.37 1.01 0.27 -2.11 120.40 133.04 2i2p s VAL 31 Ca -0.13 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2i2p s VAL 31 Cb -0.15 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.53 2i2p s VAL 31 CO 0.03 -0.33 0.16 0.28 0.00 0.00 0.00 175.10 175.25 2i2p s THR 32 N 1.61 3.58 -0.70 3.92 -1.32 -1.07 0.78 115.64 122.43 2i2p s THR 32 Ca 0.03 -1.57 -0.27 0.00 -1.21 0.00 0.00 61.69 58.67 2i2p s THR 32 Cb -0.20 -3.22 0.03 0.00 -1.51 0.00 0.00 72.50 67.60 2i2p s THR 32 CO 0.08 -0.43 1.26 -0.63 -2.21 0.00 0.00 174.62 172.69 2i2p s ILE 33 N 1.29 3.80 0.59 5.08 -1.09 -0.87 -2.31 121.20 127.69 2i2p s ILE 33 Ca 0.02 0.55 -0.03 0.00 -2.23 0.00 0.00 60.65 58.96 2i2p s ILE 33 Cb -0.22 -4.87 0.03 0.00 -1.58 0.00 0.00 42.46 35.83 2i2p s ILE 33 CO -0.01 -1.72 0.85 0.28 -1.23 0.00 0.00 174.94 173.12 2i2p s THR 34 N 5.52 2.98 0.00 2.92 -1.32 -0.54 -2.60 115.64 122.59 2i2p s THR 34 Ca 0.37 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2i2p s THR 34 Cb -0.08 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.74 2i2p s THR 34 CO 0.18 -0.15 0.00 -0.90 -2.21 0.00 0.00 174.62 171.54 2i2p n ASP 35 N -2.52 0.00 -0.04 8.08 5.75 0.65 -0.34 116.55 128.13 2i2p n ASP 35 Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.81 2i2p n ASP 35 Cb 0.59 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.61 2i2p n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2i2p n ARG 36 N 0.00 2.31 -0.30 0.11 0.00 -1.26 -0.44 116.66 117.09 2i2p n ARG 36 Ca 0.00 -0.01 0.09 0.00 -0.00 0.00 0.00 57.85 57.93 2i2p n ARG 36 Cb 0.00 -1.23 0.25 0.00 -0.00 0.00 0.00 32.46 31.48 2i2p n ARG 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2i2p n GLN 37 N -2.28 2.85 -0.73 2.89 1.13 -1.26 -4.97 117.38 115.01 2i2p n GLN 37 Ca -0.13 -2.41 0.00 0.00 -1.94 0.00 0.00 57.00 52.52 2i2p n GLN 37 Cb 0.74 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.63 2i2p n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i2p n GLY 38 N 1.08 0.14 2.97 1.08 0.00 -1.26 -5.12 105.19 104.07 2i2p n GLY 38 Ca 0.19 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2i2p n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i2p s ASN 39 N -1.18 0.47 0.72 1.61 -0.87 -1.26 -4.88 114.94 109.55 2i2p s ASN 39 Ca 0.00 0.49 -0.17 0.00 -1.57 0.00 0.00 52.86 51.61 2i2p s ASN 39 Cb 0.00 0.66 -0.08 0.00 -0.02 0.00 0.00 41.25 41.81 2i2p s ASN 39 CO 0.00 -0.25 0.16 0.00 -2.57 0.00 0.00 177.10 174.43 2i2p n ALA 40 N 5.35 -2.56 -1.59 0.60 0.00 -1.26 -0.26 120.51 120.78 2i2p n ALA 40 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2i2p n ALA 40 Cb 0.50 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2i2p n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i2p n LEU 41 N 0.94 0.00 0.00 0.00 4.77 -1.07 -4.69 117.00 116.95 2i2p n LEU 41 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2i2p n LEU 41 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2i2p n LEU 41 CO 0.52 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2i2p n GLY 42 N 0.00 3.26 3.37 -0.72 0.00 -1.25 -4.72 105.19 105.12 2i2p n GLY 42 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2i2p n GLY 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2i2p s TRP 43 N 0.00 2.78 -0.12 1.61 1.48 -1.26 -2.06 118.94 121.37 2i2p s TRP 43 Ca 0.00 -0.63 -0.04 0.00 -1.06 0.00 0.00 56.10 54.36 2i2p s TRP 43 Cb 0.00 -1.81 -0.04 0.00 -1.16 0.00 0.00 33.47 30.46 2i2p s TRP 43 CO 0.00 -0.19 0.05 0.00 -4.06 0.00 0.00 176.95 172.75 2i2p s ALA 44 N 0.25 3.46 -0.05 2.67 0.00 0.23 -4.92 121.76 123.40 2i2p s ALA 44 Ca -0.10 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2i2p s ALA 44 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2i2p s ALA 44 CO 0.06 0.50 -0.16 -0.08 0.00 0.00 0.00 175.76 176.08 2i2p s THR 45 N -0.62 1.37 0.24 0.00 -1.32 -1.26 0.95 115.64 115.00 2i2p s THR 45 Ca 0.11 -0.66 -0.05 0.00 -1.21 0.00 0.00 61.69 59.87 2i2p s THR 45 Cb -0.12 -1.20 0.19 0.00 -1.51 0.00 0.00 72.50 69.86 2i2p s THR 45 CO 0.02 0.40 1.83 0.00 -2.21 0.00 0.00 174.62 174.67 2i2p h ALA 46 N 6.51 1.15 0.58 11.08 0.00 -1.29 -3.11 119.26 134.18 2i2p h ALA 46 Ca -0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2i2p h ALA 46 Cb 1.18 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2i2p h ALA 46 CO 0.48 0.63 -0.28 0.78 0.00 0.00 0.00 179.25 180.86 2i2p h GLY 47 N 1.15 -0.81 -4.11 0.00 0.00 -1.81 -3.01 103.07 94.48 2i2p h GLY 47 Ca 0.27 0.30 -0.25 0.00 0.00 0.00 0.00 47.33 47.65 2i2p h GLY 47 CO -0.03 -0.29 -0.05 0.61 0.00 0.00 0.00 176.54 176.78 2i2p n GLY 48 N -1.33 3.18 0.62 4.60 0.00 -1.18 -4.08 105.19 107.01 2i2p n GLY 48 Ca -0.13 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2i2p n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i2p n SER 49 N 2.46 2.72 0.00 1.61 7.64 -1.14 -4.79 113.62 122.11 2i2p n SER 49 Ca 0.46 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2i2p n SER 49 Cb 0.85 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2i2p n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i2p n GLY 50 N -1.06 1.09 3.32 0.23 0.00 -1.26 -4.98 105.19 102.54 2i2p n GLY 50 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 2i2p n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2i2p s PHE 51 N -3.74 -0.29 0.13 1.61 -0.12 -1.26 -5.17 117.98 109.15 2i2p s PHE 51 Ca 0.00 0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 57.19 2i2p s PHE 51 Cb 0.00 0.19 0.03 0.00 -0.63 0.00 0.00 43.02 42.61 2i2p s PHE 51 CO 0.00 -0.49 0.42 2.89 -0.05 0.00 0.00 175.22 177.99 2i2p n ARG 52 N 0.93 0.41 0.00 1.99 1.85 -1.26 -4.49 116.66 116.09 2i2p n ARG 52 Ca -0.20 -0.86 0.00 0.00 -1.00 0.00 0.00 57.85 55.79 2i2p n ARG 52 Cb 0.57 1.11 0.00 0.00 -1.05 0.00 0.00 32.46 33.10 2i2p n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2i2p n GLY 53 N -0.29 1.38 0.11 2.89 0.00 -1.26 -3.14 105.19 104.87 2i2p n GLY 53 Ca -0.03 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.41 2i2p n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2i2p h SER 54 N 0.00 0.00 0.01 1.61 0.02 -1.99 -3.27 113.55 109.92 2i2p h SER 54 Ca 0.00 -0.09 -0.21 0.00 -0.84 0.00 0.00 61.79 60.65 2i2p h SER 54 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 2i2p h SER 54 CO 0.00 0.04 -0.84 0.03 -1.14 0.00 0.00 176.83 174.92 2i2p h ARG 55 N 0.00 0.56 0.00 3.45 3.08 -1.94 -3.43 114.38 116.09 2i2p h ARG 55 Ca 0.00 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2i2p h ARG 55 Cb 0.81 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2i2p h ARG 55 CO 0.00 1.22 0.00 0.36 -1.07 0.00 0.00 179.97 180.48 2i2p n LYS 56 N -4.03 0.54 0.00 0.04 2.85 -1.23 -4.04 118.16 112.29 2i2p n LYS 56 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2i2p n LYS 56 Cb 0.79 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.17 2i2p n LYS 56 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2i2p n SER 57 N -0.69 0.00 -4.44 -5.58 2.88 -1.26 -4.85 113.62 99.67 2i2p n SER 57 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2i2p n SER 57 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 2i2p n SER 57 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2i2p n THR 58 N 0.00 1.96 0.17 2.46 -2.24 -1.26 -4.37 114.28 111.00 2i2p n THR 58 Ca 0.00 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2i2p n THR 58 Cb 0.00 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 2i2p n THR 58 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2i2p h PRO 59 N 0.05 -0.41 -0.32 -0.78 0.13 -1.82 0.54 132.00 129.39 2i2p h PRO 59 Ca -0.45 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 2i2p h PRO 59 Cb 1.39 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.60 2i2p h PRO 59 CO 0.45 -0.11 0.58 0.74 -0.23 0.00 0.00 178.00 179.43 2i2p h PHE 60 N -0.70 0.00 0.00 1.56 -1.00 -1.91 -0.74 116.94 114.14 2i2p h PHE 60 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2i2p h PHE 60 Cb 0.48 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2i2p h PHE 60 CO 0.01 0.00 -0.78 0.00 -1.61 0.00 0.00 178.31 175.94 2i2p n ALA 61 N -2.08 1.23 0.11 2.45 0.00 -1.12 -4.37 120.51 116.73 2i2p n ALA 61 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 53.44 52.90 2i2p n ALA 61 Cb 0.72 0.07 0.24 0.00 0.00 0.00 0.00 19.45 20.47 2i2p n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2p n ALA 62 N -4.19 0.63 0.07 0.00 0.00 0.19 -0.20 120.51 117.00 2i2p n ALA 62 Ca -0.11 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2i2p n ALA 62 Cb 0.40 -0.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.97 2i2p n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2i2p h GLN 63 N 0.00 0.29 -1.03 0.00 3.07 -1.33 -3.33 115.11 112.79 2i2p h GLN 63 Ca 0.00 -0.50 0.28 0.00 0.09 0.00 0.00 58.65 58.52 2i2p h GLN 63 Cb 0.51 0.19 -0.07 0.00 0.08 0.00 0.00 27.48 28.19 2i2p h GLN 63 CO 0.00 1.17 0.71 -0.24 0.09 0.00 0.00 178.83 180.56 2i2p h VAL 64 N 0.08 0.52 0.04 1.86 3.04 -0.79 0.20 116.25 121.19 2i2p h VAL 64 Ca -0.28 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2i2p h VAL 64 Cb 2.04 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 2i2p h VAL 64 CO 0.17 0.04 -0.02 0.00 -1.01 0.00 0.00 177.57 176.75 2i2p h ALA 65 N 1.55 -0.05 -0.02 3.17 0.00 -1.67 -1.27 119.26 120.98 2i2p h ALA 65 Ca 0.54 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.34 2i2p h ALA 65 Cb 1.72 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2i2p h ALA 65 CO -0.14 -0.41 -0.50 0.00 0.00 0.00 0.00 179.25 178.19 2i2p h ALA 66 N 0.67 -0.92 0.00 0.00 0.00 -0.77 0.46 119.26 118.70 2i2p h ALA 66 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2i2p h ALA 66 Cb 0.26 0.94 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2i2p h ALA 66 CO 0.01 -1.07 0.00 1.05 0.00 0.00 0.00 179.25 179.24 2i2p h GLU 67 N -0.62 0.00 0.00 0.00 4.11 -1.51 -1.06 114.58 115.49 2i2p h GLU 67 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2i2p h GLU 67 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2i2p h GLU 67 CO -0.35 0.00 0.00 -0.09 0.07 0.00 0.00 179.01 178.64 2i2p h ARG 68 N 0.00 0.00 -0.77 1.06 2.43 0.35 -2.87 114.38 114.58 2i2p h ARG 68 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2i2p h ARG 68 Cb 0.23 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 2i2p h ARG 68 CO 0.00 0.00 0.48 0.00 -1.51 0.00 0.00 179.97 178.94 2i2p n ALA 70 N -2.34 -0.02 -0.01 0.00 0.00 -1.08 0.16 120.51 117.21 2i2p n ALA 70 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2i2p n ALA 70 Cb 0.13 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2i2p n ALA 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2i2p n ASP 71 N -3.07 2.09 -0.03 0.00 4.64 -1.21 -1.30 116.55 117.67 2i2p n ASP 71 Ca 0.00 -1.41 0.00 0.00 -1.38 0.00 0.00 54.79 52.00 2i2p n ASP 71 Cb 0.01 -0.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.67 2i2p n ASP 71 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2i2p n ALA 72 N 1.46 0.41 0.00 -1.67 0.00 0.13 -5.00 120.51 115.84 2i2p n ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2p n ALA 72 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2i2p n ALA 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i2p n VAL 73 N 0.00 0.00 0.09 0.00 0.31 0.42 -4.73 118.33 114.43 2i2p n VAL 73 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2i2p n VAL 73 Cb 0.17 -0.22 0.29 0.00 -0.91 0.00 0.00 33.84 33.16 2i2p n VAL 73 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2i2p n LYS 74 N -2.18 0.07 0.13 5.55 4.81 -0.52 -1.40 118.16 124.62 2i2p n LYS 74 Ca 0.00 0.53 0.07 0.00 -0.87 0.00 0.00 58.31 58.04 2i2p n LYS 74 Cb 0.00 -1.82 0.36 0.00 0.02 0.00 0.00 35.03 33.59 2i2p n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2i2p n GLU 75 N -1.86 0.09 -0.04 1.64 -0.58 -1.26 0.12 120.64 118.75 2i2p n GLU 75 Ca -0.01 0.55 -0.13 0.00 -0.42 0.00 0.00 57.16 57.15 2i2p n GLU 75 Cb 0.11 -1.96 -0.14 0.00 -0.57 0.00 0.00 31.44 28.88 2i2p n GLU 75 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2i2p n TYR 76 N -1.99 0.83 -0.38 -0.32 0.53 -0.49 -2.44 117.16 112.89 2i2p n TYR 76 Ca -0.01 0.25 0.00 0.00 -1.02 0.00 0.00 57.90 57.12 2i2p n TYR 76 Cb 0.19 -1.13 0.00 0.00 -1.03 0.00 0.00 39.34 37.37 2i2p n TYR 76 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2i2p n GLY 77 N 1.78 -0.59 2.97 2.72 0.00 0.12 -2.86 105.19 109.33 2i2p n GLY 77 Ca -0.26 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 2i2p n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i2p s ILE 78 N 0.00 0.16 0.00 -0.61 -1.09 -1.26 -2.07 121.20 116.32 2i2p s ILE 78 Ca 0.00 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2i2p s ILE 78 Cb 0.00 -0.27 0.00 0.00 -1.58 0.00 0.00 42.46 40.61 2i2p s ILE 78 CO 0.00 -0.39 0.00 2.29 -1.23 0.00 0.00 174.94 175.61 2i2p n LYS 79 N 1.86 0.00 -2.67 2.79 2.85 -0.32 -4.90 118.16 117.77 2i2p n LYS 79 Ca -0.22 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.68 2i2p n LYS 79 Cb 0.56 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.89 2i2p n LYS 79 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2i2p s ASN 80 N 1.00 6.99 -0.09 -5.58 6.03 -1.13 -2.19 114.94 119.97 2i2p s ASN 80 Ca 0.00 1.92 -0.31 0.00 -1.03 0.00 0.00 52.86 53.44 2i2p s ASN 80 Cb 0.00 -2.58 0.12 0.00 -3.03 0.00 0.00 41.25 35.76 2i2p s ASN 80 CO 0.00 -0.32 1.00 -1.48 -2.03 0.00 0.00 177.10 174.27 2i2p s LEU 81 N -2.50 -0.30 0.55 3.54 2.34 -1.26 -3.87 118.68 117.17 2i2p s LEU 81 Ca 0.56 0.06 0.09 0.00 0.06 0.00 0.00 54.13 54.90 2i2p s LEU 81 Cb -0.19 1.81 0.07 0.00 -0.56 0.00 0.00 46.19 47.32 2i2p s LEU 81 CO 0.24 -0.46 0.70 -1.83 -1.06 0.00 0.00 176.35 173.94 2i2p s GLU 82 N -2.57 2.37 0.04 1.48 -1.05 -1.22 0.29 118.70 118.03 2i2p s GLU 82 Ca 0.05 -1.64 0.02 0.00 -0.15 0.00 0.00 54.97 53.26 2i2p s GLU 82 Cb -0.01 -2.58 -0.02 0.00 -0.44 0.00 0.00 34.13 31.08 2i2p s GLU 82 CO -0.06 -0.74 -0.08 0.08 0.95 0.00 0.00 175.26 175.42 2i2p s VAL 83 N -2.64 0.54 -0.19 1.83 1.01 0.43 -3.97 120.40 117.41 2i2p s VAL 83 Ca 0.57 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2i2p s VAL 83 Cb -0.06 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.79 2i2p s VAL 83 CO 0.36 -0.30 -0.02 -0.04 0.00 0.00 0.00 175.10 175.10 2i2p s MET 84 N -1.37 1.15 -0.16 2.72 1.00 -1.25 -1.66 119.30 119.74 2i2p s MET 84 Ca -0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 55.69 54.95 2i2p s MET 84 Cb -0.09 -2.17 -0.04 0.00 0.00 0.00 0.00 34.83 32.53 2i2p s MET 84 CO 0.00 -0.55 0.11 0.14 0.00 0.00 0.00 175.02 174.72 2i2p s VAL 85 N 1.67 5.20 -0.33 -6.03 -7.23 -0.94 0.07 120.40 112.82 2i2p s VAL 85 Ca -0.02 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2i2p s VAL 85 Cb -0.17 -3.31 0.15 0.00 0.56 0.00 0.00 36.38 33.61 2i2p s VAL 85 CO -0.07 0.53 0.39 -0.75 -0.31 0.00 0.00 175.10 174.88 2i2p s LYS 86 N -0.28 0.50 0.00 4.82 2.20 -0.37 -0.14 119.74 126.47 2i2p s LYS 86 Ca 0.10 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2i2p s LYS 86 Cb -0.12 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.70 2i2p s LYS 86 CO 0.01 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 2i2p n GLY 87 N 4.89 4.15 0.00 5.54 0.00 -1.26 -2.76 105.19 115.74 2i2p n GLY 87 Ca 0.04 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.56 2i2p n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i2p n PRO 88 N 0.00 0.86 -1.25 1.61 -0.04 -1.01 -4.29 135.00 130.89 2i2p n PRO 88 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2i2p n PRO 88 Cb 0.00 -1.44 0.02 0.00 -0.04 0.00 0.00 33.50 32.04 2i2p n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i2p n GLY 89 N 0.68 -3.08 2.61 0.55 0.00 0.13 -4.66 105.19 101.43 2i2p n GLY 89 Ca 0.18 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2i2p n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i2p n PRO 90 N 1.29 1.19 0.00 1.61 -0.04 -1.26 -1.42 135.00 136.37 2i2p n PRO 90 Ca 0.07 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2i2p n PRO 90 Cb 0.48 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2i2p n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i2p n GLY 91 N 3.53 0.42 0.66 0.55 0.00 -1.26 -2.43 105.19 106.66 2i2p n GLY 91 Ca 0.25 0.00 0.50 0.00 0.00 0.00 0.00 46.02 46.77 2i2p n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2i2p h ARG 92 N 0.00 0.01 0.00 1.61 9.65 -1.48 -2.42 114.38 121.75 2i2p h ARG 92 Ca 0.00 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2i2p h ARG 92 Cb 0.18 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2i2p h ARG 92 CO 0.00 0.00 -0.92 0.39 2.80 0.00 0.00 179.97 182.24 2i2p n GLU 93 N -4.08 0.18 -0.28 0.20 1.02 -1.26 -4.70 120.64 111.72 2i2p n GLU 93 Ca 0.42 0.08 0.16 0.00 -0.02 0.00 0.00 57.16 57.80 2i2p n GLU 93 Cb 1.88 -0.81 0.30 0.00 -0.02 0.00 0.00 31.44 32.80 2i2p n GLU 93 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2i2p n SER 94 N -3.60 -0.00 -0.32 1.62 2.88 -1.14 0.10 113.62 113.16 2i2p n SER 94 Ca -0.11 1.40 0.05 0.00 -1.33 0.00 0.00 58.87 58.89 2i2p n SER 94 Cb 0.40 -0.55 0.25 0.00 -0.75 0.00 0.00 64.21 63.55 2i2p n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i2p h THR 95 N 0.00 1.01 -0.11 2.46 1.03 -1.73 -2.84 112.91 112.74 2i2p h THR 95 Ca 0.55 -0.35 -0.00 0.00 -0.01 0.00 0.00 66.41 66.61 2i2p h THR 95 Cb 1.24 -0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 2i2p h THR 95 CO -0.75 0.18 0.07 0.40 -0.01 0.00 0.00 175.52 175.41 2i2p h ILE 96 N 1.01 1.05 -0.86 0.00 2.04 0.44 -2.97 117.51 118.22 2i2p h ILE 96 Ca 0.43 -0.14 0.19 0.00 1.00 0.00 0.00 64.86 66.34 2i2p h ILE 96 Cb 0.31 0.95 -0.11 0.00 -0.74 0.00 0.00 36.82 37.23 2i2p h ILE 96 CO -0.18 0.05 0.37 0.03 0.00 0.00 0.00 178.15 178.42 2i2p h ARG 97 N 0.12 0.42 -0.49 2.37 3.08 -1.48 0.37 114.38 118.77 2i2p h ARG 97 Ca 0.04 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.19 2i2p h ARG 97 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2i2p h ARG 97 CO -0.01 0.28 0.35 0.00 -1.07 0.00 0.00 179.97 179.52 2i2p h ALA 98 N 1.65 2.36 -0.05 0.04 0.00 -1.56 -0.41 119.26 121.29 2i2p h ALA 98 Ca 0.51 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.19 2i2p h ALA 98 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2i2p h ALA 98 CO -0.48 -0.49 -0.87 -0.07 0.00 0.00 0.00 179.25 177.34 2i2p h LEU 99 N 0.08 0.64 -1.06 0.00 -0.00 -0.33 -0.93 115.31 113.70 2i2p h LEU 99 Ca 0.23 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2i2p h LEU 99 Cb 0.83 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2i2p h LEU 99 CO -0.02 1.25 0.00 -3.20 -0.00 0.00 0.00 178.44 176.47 2i2p n ASN 100 N -3.82 1.47 0.00 -0.43 2.85 -0.21 -3.06 115.26 112.06 2i2p n ASN 100 Ca -0.07 -2.09 0.00 0.00 -0.11 0.00 0.00 54.58 52.31 2i2p n ASN 100 Cb 0.79 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2i2p n ASN 100 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2i2p n ALA 101 N 0.09 0.67 1.45 5.20 0.00 -0.92 -4.73 120.51 122.27 2i2p n ALA 101 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2i2p n ALA 101 Cb 0.29 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.16 2i2p n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2p n ALA 102 N -0.43 2.55 0.00 0.00 0.00 -0.36 -4.89 120.51 117.37 2i2p n ALA 102 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2i2p n ALA 102 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2i2p n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 103 N 1.03 2.40 3.66 0.00 0.00 -1.26 -5.06 105.19 105.96 2i2p n GLY 103 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2i2p n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i2p n PHE 104 N -0.21 1.86 0.00 1.61 3.01 -1.17 -5.00 117.46 117.56 2i2p n PHE 104 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 57.45 59.06 2i2p n PHE 104 Cb 0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.13 2i2p n PHE 104 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2i2p n ARG 105 N 0.55 0.00 0.00 -1.08 1.74 -0.93 -4.49 116.66 112.45 2i2p n ARG 105 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2i2p n ARG 105 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 2i2p n ARG 105 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2i2p n ILE 106 N 0.00 0.00 0.00 0.55 0.13 -1.23 -4.70 119.36 114.11 2i2p n ILE 106 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2i2p n ILE 106 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 2i2p n ILE 106 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2i2p n THR 107 N -0.48 0.00 -2.56 9.51 -1.04 0.14 -4.56 114.28 115.28 2i2p n THR 107 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2i2p n THR 107 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2i2p n THR 107 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2i2p s ASN 108 N 1.36 6.56 -0.51 8.00 2.47 -1.26 -4.85 114.94 126.70 2i2p s ASN 108 Ca 0.00 0.44 -0.11 0.00 0.42 0.00 0.00 52.86 53.61 2i2p s ASN 108 Cb 0.00 -2.55 0.13 0.00 -1.45 0.00 0.00 41.25 37.38 2i2p s ASN 108 CO 0.00 -1.33 0.41 -0.63 -3.72 0.00 0.00 177.10 171.83 2i2p s ILE 109 N 4.70 4.49 0.04 -5.21 1.01 -1.26 -0.43 121.20 124.53 2i2p s ILE 109 Ca 0.49 -1.81 0.09 0.00 0.00 0.00 0.00 60.65 59.42 2i2p s ILE 109 Cb -0.08 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2i2p s ILE 109 CO 0.31 -0.82 -0.26 0.42 0.00 0.00 0.00 174.94 174.59 2i2p s THR 110 N 1.29 2.10 -0.17 2.92 -4.23 -0.67 -4.97 115.64 111.91 2i2p s THR 110 Ca 0.06 -1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 59.07 2i2p s THR 110 Cb -0.26 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 2i2p s THR 110 CO -0.00 0.38 0.34 -0.62 -0.54 0.00 0.00 174.62 174.18 2i2p s ASP 111 N -1.17 6.45 -0.22 3.99 2.15 -1.26 -2.21 116.67 124.41 2i2p s ASP 111 Ca 0.11 0.53 0.04 0.00 0.43 0.00 0.00 52.55 53.66 2i2p s ASP 111 Cb -0.10 -2.21 -0.20 0.00 -0.30 0.00 0.00 42.92 40.11 2i2p s ASP 111 CO 0.02 0.03 -0.04 1.33 -0.17 0.00 0.00 175.17 176.33 2i2p n VAL 112 N 3.86 1.52 0.00 1.11 0.24 0.80 -4.92 118.33 120.95 2i2p n VAL 112 Ca -0.10 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2i2p n VAL 112 Cb 0.52 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 2i2p n VAL 112 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2i2p n THR 113 N -3.19 0.00 -1.41 3.34 -1.04 -1.15 -4.79 114.28 106.03 2i2p n THR 113 Ca -0.40 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 2i2p n THR 113 Cb 1.03 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.63 2i2p n THR 113 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2i2p s PRO 114 N 0.00 2.14 -0.31 -2.82 0.04 -1.26 -5.01 135.00 127.78 2i2p s PRO 114 Ca 0.00 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2i2p s PRO 114 Cb 0.00 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.88 2i2p s PRO 114 CO 0.00 -1.81 0.55 0.96 0.04 0.00 0.00 177.00 176.74 2i2p s ILE 115 N -2.13 -0.89 0.36 0.56 -4.36 -1.26 -5.10 121.20 108.37 2i2p s ILE 115 Ca 0.72 -0.10 -0.28 0.00 -0.26 0.00 0.00 60.65 60.72 2i2p s ILE 115 Cb -0.27 -0.81 -0.10 0.00 1.25 0.00 0.00 42.46 42.52 2i2p s ILE 115 CO 0.46 -0.09 1.38 -2.16 0.24 0.00 0.00 174.94 174.77 2i2p s PRO 116 N 2.54 4.23 0.00 0.37 0.04 -1.26 -4.85 135.00 136.07 2i2p s PRO 116 Ca 0.11 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 2i2p s PRO 116 Cb -0.10 -3.01 -0.16 0.00 0.04 0.00 0.00 34.50 31.27 2i2p s PRO 116 CO -0.23 -0.35 2.71 0.72 0.04 0.00 0.00 177.00 179.89 2i2p n HIS 117 N 0.61 0.00 -2.37 0.56 8.25 -1.26 -4.61 115.22 116.40 2i2p n HIS 117 Ca 0.01 -1.13 -0.05 0.00 -0.26 0.00 0.00 57.72 56.28 2i2p n HIS 117 Cb 0.41 -1.15 0.01 0.00 1.12 0.00 0.00 29.99 30.38 2i2p n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2i2p n ASN 118 N 2.32 -5.86 0.07 0.41 4.13 -1.26 -5.04 115.26 110.03 2i2p n ASN 118 Ca 0.26 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.90 2i2p n ASN 118 Cb 0.67 -3.85 0.00 0.00 -1.54 0.00 0.00 39.78 35.06 2i2p n ASN 118 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i2p n GLY 119 N -0.33 -0.13 0.00 7.41 0.00 -1.26 -5.11 105.19 105.76 2i2p n GLY 119 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2i2p n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2p s ARG 121 N -2.86 0.30 0.71 0.00 3.52 -1.26 -5.15 118.95 114.20 2i2p s ARG 121 Ca 0.00 -0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.33 2i2p s ARG 121 Cb 0.00 -0.76 0.02 0.00 -1.56 0.00 0.00 34.95 32.65 2i2p s ARG 121 CO 0.00 -0.97 1.20 -0.35 -0.81 0.00 0.00 175.30 174.37 2i2p n PRO 122 N 5.31 0.72 -2.43 5.12 -0.04 -1.26 -4.99 135.00 137.43 2i2p n PRO 122 Ca -0.03 0.31 -0.36 0.00 -0.04 0.00 0.00 63.50 63.38 2i2p n PRO 122 Cb 0.46 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 2i2p n PRO 122 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2i2p s PRO 123 N -3.57 3.89 0.00 0.54 0.04 -1.26 -5.06 135.00 129.59 2i2p s PRO 123 Ca 0.78 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2i2p s PRO 123 Cb -0.35 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2i2p s PRO 123 CO 0.45 -0.39 0.00 1.63 0.04 0.00 0.00 177.00 178.73 2i2p n LYS 124 N -0.49 0.00 0.00 4.56 5.02 -1.26 -4.96 118.16 121.04 2i2p n LYS 124 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2i2p n LYS 124 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 2i2p n LYS 124 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i2p n LYS 125 N 0.00 0.00 -3.56 1.97 5.02 -1.26 -4.95 118.16 115.38 2i2p n LYS 125 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2i2p n LYS 125 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 2i2p n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i2p n ARG 126 N 2.59 -1.45 -2.23 1.97 5.12 -1.26 -4.93 116.66 116.46 2i2p n ARG 126 Ca 0.00 0.60 -0.28 0.00 -1.93 0.00 0.00 57.85 56.24 2i2p n ARG 126 Cb 0.00 -4.53 0.01 0.00 -1.16 0.00 0.00 32.46 26.79 2i2p n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2i2p n ARG 127 N -3.83 3.35 0.00 5.56 3.00 -1.26 -5.32 116.66 118.16 2i2p n ARG 127 Ca -0.09 -4.23 0.12 0.00 -0.00 0.00 0.00 57.85 53.65 2i2p n ARG 127 Cb 0.60 -2.26 0.70 0.00 0.00 0.00 0.00 32.46 31.50 2i2p n ARG 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91