#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n MET 2 N 0.00 0.50 0.00 -1.46 0.00 -1.26 -3.96 117.12 110.94 2i2p n MET 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2i2p n MET 2 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 31.97 2i2p n MET 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2i2p n GLN 3 N 1.00 0.00 -3.77 0.03 -0.06 -1.26 -5.10 117.38 108.21 2i2p n GLN 3 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 2i2p n GLN 3 Cb 0.25 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.30 2i2p n GLN 3 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2i2p s ASP 4 N 1.56 5.02 0.00 1.69 -1.08 -1.25 -5.04 116.67 117.56 2i2p s ASP 4 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 2i2p s ASP 4 Cb 0.00 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 2i2p s ASP 4 CO 0.00 -0.09 0.34 -0.81 0.52 0.00 0.00 175.17 175.13 2i2p n PRO 5 N 4.89 0.00 -0.15 4.34 -0.04 -1.26 -0.14 135.00 142.64 2i2p n PRO 5 Ca -0.16 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2i2p n PRO 5 Cb 0.50 -0.86 0.26 0.00 -0.04 0.00 0.00 33.50 33.36 2i2p n PRO 5 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2i2p n ILE 6 N -0.65 -0.20 -0.19 0.52 2.08 -1.26 0.96 119.36 120.63 2i2p n ILE 6 Ca 0.00 0.95 -0.00 0.00 0.56 0.00 0.00 62.75 64.26 2i2p n ILE 6 Cb 0.00 -1.54 0.09 0.00 -0.75 0.00 0.00 39.64 37.44 2i2p n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i2p h ALA 7 N 0.93 0.55 -0.37 -1.39 0.00 -2.01 -0.90 119.26 116.07 2i2p h ALA 7 Ca 0.39 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2i2p h ALA 7 Cb 1.00 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2i2p h ALA 7 CO -0.37 -0.40 0.18 0.38 0.00 0.00 0.00 179.25 179.04 2i2p h ASP 8 N 0.10 0.48 -0.18 0.00 3.04 0.44 -2.97 116.42 117.34 2i2p h ASP 8 Ca 0.30 -0.13 0.02 0.00 -3.24 0.00 0.00 57.03 53.98 2i2p h ASP 8 Cb 0.48 -0.12 -0.03 0.00 -1.04 0.00 0.00 39.33 38.61 2i2p h ASP 8 CO -0.51 0.48 -0.21 -0.03 -2.04 0.00 0.00 179.24 176.92 2i2p h MET 9 N 0.46 -0.13 -1.09 4.15 4.05 -1.18 0.34 114.93 121.52 2i2p h MET 9 Ca 0.13 0.01 0.30 0.00 -0.28 0.00 0.00 59.70 59.85 2i2p h MET 9 Cb 0.12 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 30.86 2i2p h MET 9 CO -0.02 -0.09 0.72 -0.07 0.23 0.00 0.00 176.91 177.69 2i2p h LEU 10 N -0.13 0.34 0.55 3.39 3.38 -1.48 -1.52 115.31 119.84 2i2p h LEU 10 Ca 0.03 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2i2p h LEU 10 Cb 0.22 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2i2p h LEU 10 CO -0.24 0.04 -0.27 0.74 0.09 0.00 0.00 178.44 178.81 2i2p h THR 11 N 0.29 0.04 -0.73 0.22 2.02 -0.66 -3.03 112.91 111.05 2i2p h THR 11 Ca 0.61 -0.46 0.14 0.00 0.77 0.00 0.00 66.41 67.47 2i2p h THR 11 Cb 1.75 0.06 -0.14 0.00 -1.74 0.00 0.00 68.15 68.08 2i2p h THR 11 CO -0.25 0.01 -0.20 0.54 0.37 0.00 0.00 175.52 175.99 2i2p n ARG 12 N -5.27 -0.08 0.17 6.66 1.74 0.93 -0.24 116.66 120.57 2i2p n ARG 12 Ca -0.09 1.13 -0.14 0.00 -0.77 0.00 0.00 57.85 57.98 2i2p n ARG 12 Cb 0.30 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 2i2p n ARG 12 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 2i2p h ILE 13 N 0.00 0.66 -0.64 0.55 3.07 -1.61 -0.81 117.51 118.72 2i2p h ILE 13 Ca 0.34 -0.53 0.15 0.00 1.55 0.00 0.00 64.86 66.37 2i2p h ILE 13 Cb 0.52 0.92 -0.04 0.00 -0.27 0.00 0.00 36.82 37.95 2i2p h ILE 13 CO -0.75 0.10 0.44 -0.09 -1.05 0.00 0.00 178.15 176.81 2i2p h ARG 14 N -0.75 0.20 0.21 0.16 2.43 -0.69 -1.96 114.38 113.98 2i2p h ARG 14 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2i2p h ARG 14 Cb 0.50 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2i2p h ARG 14 CO 0.07 0.13 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.65 2i2p h ASN 15 N 0.20 -0.24 -0.05 -3.80 2.35 -0.49 -2.98 115.58 110.57 2i2p h ASN 15 Ca 0.31 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2i2p h ASN 15 Cb 0.94 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 2i2p h ASN 15 CO -0.06 0.28 -0.08 1.23 -1.65 0.00 0.00 177.43 177.15 2i2p h GLY 16 N -0.92 -1.76 0.17 2.83 0.00 -0.43 -0.24 103.07 102.71 2i2p h GLY 16 Ca -0.03 0.80 0.24 0.00 0.00 0.00 0.00 47.33 48.34 2i2p h GLY 16 CO 0.05 -0.64 0.68 1.46 0.00 0.00 0.00 176.54 178.09 2i2p h GLN 17 N -0.06 0.00 -0.62 4.80 4.20 -1.55 0.32 115.11 122.19 2i2p h GLN 17 Ca 0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.79 2i2p h GLN 17 Cb 0.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2i2p h GLN 17 CO -0.08 0.00 0.41 0.00 -0.67 0.00 0.00 178.83 178.49 2i2p h ALA 18 N 1.42 1.85 -0.98 3.87 0.00 -0.87 -2.22 119.26 122.34 2i2p h ALA 18 Ca 0.40 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.72 2i2p h ALA 18 Cb 1.76 -0.14 -0.42 0.00 0.00 0.00 0.00 17.79 18.99 2i2p h ALA 18 CO -0.00 0.04 -0.74 0.00 0.00 0.00 0.00 179.25 178.55 2i2p n ALA 19 N -2.48 5.08 -4.17 0.00 0.00 0.10 -4.95 120.51 114.09 2i2p n ALA 19 Ca 0.09 -3.94 -0.30 0.00 0.00 0.00 0.00 53.44 49.30 2i2p n ALA 19 Cb 0.27 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 2i2p n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2p n ASN 20 N -0.65 0.46 -4.80 0.00 4.13 -0.83 -4.88 115.26 108.68 2i2p n ASN 20 Ca 0.43 -1.15 -0.34 0.00 1.68 0.00 0.00 54.58 55.19 2i2p n ASN 20 Cb 0.87 -1.44 -0.05 0.00 -1.54 0.00 0.00 39.78 37.62 2i2p n ASN 20 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2i2p s LYS 21 N -6.92 4.08 0.00 3.52 2.36 -0.58 -4.97 119.74 117.22 2i2p s LYS 21 Ca 0.12 1.31 0.00 0.00 -2.55 0.00 0.00 55.97 54.86 2i2p s LYS 21 Cb -0.07 -2.27 0.00 0.00 -1.05 0.00 0.00 37.83 34.44 2i2p s LYS 21 CO 0.91 -0.18 0.82 0.00 1.55 0.00 0.00 175.35 178.44 2i2p n ALA 22 N -0.55 -0.30 -3.16 3.13 0.00 -1.26 -4.57 120.51 113.80 2i2p n ALA 22 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 2i2p n ALA 22 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2i2p n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2p s ALA 23 N -2.69 -2.52 0.93 0.00 0.00 -1.26 -3.91 121.76 112.30 2i2p s ALA 23 Ca 0.00 1.77 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 2i2p s ALA 23 Cb 0.00 -2.23 0.15 0.00 0.00 0.00 0.00 23.12 21.03 2i2p s ALA 23 CO 0.00 -1.35 1.09 0.54 0.00 0.00 0.00 175.76 176.05 2i2p s VAL 24 N 2.88 2.52 0.10 0.00 0.11 -1.26 -4.92 120.40 119.83 2i2p s VAL 24 Ca 0.15 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.40 2i2p s VAL 24 Cb -0.14 -2.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 2i2p s VAL 24 CO -0.19 -0.22 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.39 2i2p s THR 25 N -2.80 0.82 -0.01 5.04 2.01 -1.26 -3.85 115.64 115.59 2i2p s THR 25 Ca 0.65 -1.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.54 2i2p s THR 25 Cb -0.20 -1.54 0.08 0.00 0.01 0.00 0.00 72.50 70.85 2i2p s THR 25 CO 0.58 -0.73 0.69 0.00 -0.69 0.00 0.00 174.62 174.47 2i2p s MET 26 N -3.37 1.07 -0.13 4.92 0.23 -1.13 -5.01 119.30 115.88 2i2p s MET 26 Ca 0.09 0.08 -0.29 0.00 -1.03 0.00 0.00 55.69 54.54 2i2p s MET 26 Cb 0.02 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 33.75 2i2p s MET 26 CO -0.02 -0.37 2.11 -1.25 -2.03 0.00 0.00 175.02 173.46 2i2p s PRO 27 N -1.80 3.51 0.62 3.16 0.04 -1.26 0.21 135.00 139.48 2i2p s PRO 27 Ca -0.07 2.23 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 2i2p s PRO 27 Cb -0.00 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 2i2p s PRO 27 CO 0.04 -1.67 1.32 0.45 0.04 0.00 0.00 177.00 177.18 2i2p s SER 28 N 6.79 4.78 -0.08 6.66 0.15 -1.26 -4.61 113.70 126.14 2i2p s SER 28 Ca 0.95 2.68 -0.17 0.00 0.70 0.00 0.00 55.95 60.11 2i2p s SER 28 Cb -0.36 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.36 2i2p s SER 28 CO 0.37 -1.89 0.40 -0.94 1.20 0.00 0.00 173.24 172.39 2i2p s SER 29 N -1.25 -0.35 0.26 5.45 1.04 -1.26 -4.70 113.70 112.89 2i2p s SER 29 Ca 0.80 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.60 2i2p s SER 29 Cb -0.39 0.57 0.39 0.00 0.10 0.00 0.00 66.02 66.69 2i2p s SER 29 CO 0.42 -0.34 1.53 0.29 0.98 0.00 0.00 173.24 176.12 2i2p n LYS 30 N 1.88 -0.13 0.06 4.02 4.76 -1.26 0.12 118.16 127.61 2i2p n LYS 30 Ca -0.18 1.53 0.01 0.00 -2.87 0.00 0.00 58.31 56.80 2i2p n LYS 30 Cb 0.57 -2.28 0.32 0.00 -1.84 0.00 0.00 35.03 31.80 2i2p n LYS 30 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2i2p h LEU 31 N 0.00 0.36 -1.04 -0.35 5.85 -1.99 -2.39 115.31 115.75 2i2p h LEU 31 Ca 0.43 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 2i2p h LEU 31 Cb 0.68 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2i2p h LEU 31 CO -1.00 0.50 0.42 0.11 -0.34 0.00 0.00 178.44 178.13 2i2p h LYS 32 N 0.36 1.09 -0.07 1.25 1.57 0.54 -2.70 116.57 118.61 2i2p h LYS 32 Ca 0.07 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 2i2p h LYS 32 Cb 0.41 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.51 2i2p h LYS 32 CO 0.02 0.81 -0.72 0.28 -0.57 0.00 0.00 179.45 179.27 2i2p h VAL 33 N 1.10 1.34 -0.66 0.50 2.07 -1.01 -1.64 116.25 117.95 2i2p h VAL 33 Ca 0.28 -2.02 0.18 0.00 0.82 0.00 0.00 66.70 65.96 2i2p h VAL 33 Cb 0.04 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2i2p h VAL 33 CO -0.04 0.61 0.47 0.00 0.02 0.00 0.00 177.57 178.63 2i2p h ALA 34 N 0.44 2.50 0.00 1.67 0.00 -1.27 1.17 119.26 123.76 2i2p h ALA 34 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2i2p h ALA 34 Cb 1.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2i2p h ALA 34 CO 0.14 -0.69 -0.82 0.82 0.00 0.00 0.00 179.25 178.70 2i2p h ILE 35 N 0.08 0.00 0.05 0.00 2.04 -1.40 -3.34 117.51 114.94 2i2p h ILE 35 Ca 0.32 -0.82 -0.21 0.00 1.00 0.00 0.00 64.86 65.14 2i2p h ILE 35 Cb 1.14 1.37 0.02 0.00 -0.74 0.00 0.00 36.82 38.61 2i2p h ILE 35 CO -0.03 0.00 -0.86 0.00 0.00 0.00 0.00 178.15 177.26 2i2p h ALA 36 N 2.18 0.04 -0.43 1.87 0.00 0.22 -3.29 119.26 119.84 2i2p h ALA 36 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 54.91 54.33 2i2p h ALA 36 Cb 0.91 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2i2p h ALA 36 CO 0.00 0.49 0.03 -0.97 0.00 0.00 0.00 179.25 178.80 2i2p h ASN 37 N 0.02 -0.11 0.00 0.00 -0.00 -0.63 0.24 115.58 115.10 2i2p h ASN 37 Ca -0.12 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2i2p h ASN 37 Cb 1.57 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 40.04 2i2p h ASN 37 CO 0.17 -0.02 0.00 0.52 -0.00 0.00 0.00 177.43 178.10 2i2p n VAL 38 N -5.17 0.00 0.01 2.57 0.31 -1.24 -0.45 118.33 114.36 2i2p n VAL 38 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.34 2i2p n VAL 38 Cb 0.22 -0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 2i2p n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i2p n LEU 39 N -0.16 0.86 -0.03 7.52 4.77 0.81 -4.26 117.00 126.51 2i2p n LEU 39 Ca 0.00 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 2i2p n LEU 39 Cb 0.03 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2i2p n LEU 39 CO 0.00 -0.35 0.31 0.50 -1.33 0.00 0.00 177.39 176.53 2i2p h LYS 40 N -0.17 0.73 -0.01 3.23 3.64 -1.16 0.22 116.57 123.05 2i2p h LYS 40 Ca -0.05 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 2i2p h LYS 40 Cb 0.57 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2i2p h LYS 40 CO -0.03 1.19 -0.04 -1.91 -2.27 0.00 0.00 179.45 176.39 2i2p n GLU 41 N -4.03 1.06 -0.13 1.90 2.13 0.40 -3.34 120.64 118.63 2i2p n GLU 41 Ca -0.07 -0.35 0.08 0.00 0.66 0.00 0.00 57.16 57.48 2i2p n GLU 41 Cb 0.69 -1.49 0.11 0.00 0.27 0.00 0.00 31.44 31.02 2i2p n GLU 41 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2i2p n GLU 42 N -0.67 1.14 -2.83 5.31 -0.58 -1.16 -4.97 120.64 116.88 2i2p n GLU 42 Ca 0.19 -2.29 -0.05 0.00 -0.42 0.00 0.00 57.16 54.59 2i2p n GLU 42 Cb 0.24 -1.33 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 2i2p n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i2p n GLY 43 N -1.18 -2.74 0.00 0.62 0.00 -0.85 -4.87 105.19 96.17 2i2p n GLY 43 Ca 0.13 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.94 2i2p n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i2p n PHE 44 N 0.31 0.00 -3.76 1.61 3.72 0.72 -4.97 117.46 115.08 2i2p n PHE 44 Ca 0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 2i2p n PHE 44 Cb 0.24 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 2i2p n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2i2p s ILE 45 N 0.00 0.06 0.07 4.37 -4.36 -1.13 -4.52 121.20 115.68 2i2p s ILE 45 Ca 0.00 -0.48 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 2i2p s ILE 45 Cb 0.00 -0.61 -0.17 0.00 1.25 0.00 0.00 42.46 42.93 2i2p s ILE 45 CO 0.00 -0.26 1.61 -0.33 0.24 0.00 0.00 174.94 176.19 2i2p h GLU 46 N 3.88 -0.54 0.00 0.37 4.39 -1.66 -3.37 114.58 117.65 2i2p h GLU 46 Ca -0.30 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2i2p h GLU 46 Cb 1.18 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2i2p h GLU 46 CO 0.40 -0.33 0.00 -0.40 -1.16 0.00 0.00 179.01 177.52 2i2p n ASP 47 N -5.31 0.00 -4.10 1.42 5.68 -1.26 -4.94 116.55 108.04 2i2p n ASP 47 Ca -0.11 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 53.91 2i2p n ASP 47 Cb 0.25 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.06 2i2p n ASP 47 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2i2p s PHE 48 N -2.00 1.82 0.62 2.11 -0.71 -1.24 -2.78 117.98 115.80 2i2p s PHE 48 Ca 0.00 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.26 2i2p s PHE 48 Cb 0.00 -1.26 0.09 0.00 -1.21 0.00 0.00 43.02 40.63 2i2p s PHE 48 CO 0.00 -0.29 0.86 0.21 -1.34 0.00 0.00 175.22 174.65 2i2p s LYS 49 N 0.44 2.12 0.23 1.99 2.47 -1.24 -4.86 119.74 120.89 2i2p s LYS 49 Ca -0.13 -1.24 0.04 0.00 -1.56 0.00 0.00 55.97 53.08 2i2p s LYS 49 Cb -0.15 -2.50 -0.05 0.00 -1.46 0.00 0.00 37.83 33.67 2i2p s LYS 49 CO 0.05 -1.04 -0.03 0.54 0.16 0.00 0.00 175.35 175.03 2i2p s VAL 50 N -2.86 1.20 -0.30 4.02 0.11 -1.26 -3.57 120.40 117.74 2i2p s VAL 50 Ca 0.62 -2.06 -0.09 0.00 -2.93 0.00 0.00 61.98 57.52 2i2p s VAL 50 Cb -0.07 -2.28 0.18 0.00 -1.53 0.00 0.00 36.38 32.68 2i2p s VAL 50 CO 0.41 -0.39 0.88 -0.70 -3.33 0.00 0.00 175.10 171.96 2i2p s GLU 51 N -3.81 0.34 0.00 1.54 2.12 -1.25 -4.90 118.70 112.73 2i2p s GLU 51 Ca 0.27 0.63 0.00 0.00 0.36 0.00 0.00 54.97 56.22 2i2p s GLU 51 Cb 0.05 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.79 2i2p s GLU 51 CO 0.08 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 2i2p n GLY 52 N 5.42 1.36 0.23 -1.50 0.00 -1.25 -2.44 105.19 107.01 2i2p n GLY 52 Ca -0.05 -0.80 0.16 0.00 0.00 0.00 0.00 46.02 45.33 2i2p n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2i2p h ASP 53 N 0.00 0.00 0.00 1.61 2.03 -1.99 -1.91 116.42 116.16 2i2p h ASP 53 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2i2p h ASP 53 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2i2p h ASP 53 CO 0.00 0.00 -0.79 1.07 -1.03 0.00 0.00 179.24 178.49 2i2p n THR 54 N -2.71 0.00 -3.52 1.15 5.66 -1.26 -4.85 114.28 108.75 2i2p n THR 54 Ca -0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 2i2p n THR 54 Cb 0.17 -0.74 -0.09 0.00 -1.55 0.00 0.00 70.33 68.12 2i2p n THR 54 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2i2p n LYS 55 N -1.76 2.16 -0.24 1.09 4.76 -1.19 -5.10 118.16 117.88 2i2p n LYS 55 Ca 0.00 -4.48 -0.29 0.00 -2.87 0.00 0.00 58.31 50.68 2i2p n LYS 55 Cb 0.39 -2.17 0.27 0.00 -1.84 0.00 0.00 35.03 31.69 2i2p n LYS 55 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2i2p n PRO 56 N 1.22 -4.67 -3.34 1.97 -0.04 -0.72 -3.79 135.00 125.62 2i2p n PRO 56 Ca 0.27 -1.38 0.02 0.00 -0.04 0.00 0.00 63.50 62.38 2i2p n PRO 56 Cb 0.41 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 2i2p n PRO 56 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2i2p s GLU 57 N -4.96 0.42 0.50 0.54 2.12 -1.02 -4.00 118.70 112.30 2i2p s GLU 57 Ca 0.63 0.91 -0.19 0.00 0.36 0.00 0.00 54.97 56.67 2i2p s GLU 57 Cb -0.11 0.53 -0.08 0.00 0.26 0.00 0.00 34.13 34.73 2i2p s GLU 57 CO 0.52 -0.29 1.03 -1.17 -0.54 0.00 0.00 175.26 174.81 2i2p s LEU 58 N 2.77 3.77 -0.40 2.70 0.20 0.56 -3.90 118.68 124.38 2i2p s LEU 58 Ca 0.03 1.85 0.03 0.00 0.69 0.00 0.00 54.13 56.73 2i2p s LEU 58 Cb -0.11 -4.55 0.16 0.00 -0.43 0.00 0.00 46.19 41.27 2i2p s LEU 58 CO -0.18 -0.79 0.34 -0.70 -0.29 0.00 0.00 176.35 174.74 2i2p s GLU 59 N -3.46 0.81 -0.63 1.98 2.12 -1.23 -2.86 118.70 115.42 2i2p s GLU 59 Ca 0.65 -1.72 -0.28 0.00 0.36 0.00 0.00 54.97 53.98 2i2p s GLU 59 Cb -0.15 -1.21 0.03 0.00 0.26 0.00 0.00 34.13 33.06 2i2p s GLU 59 CO 0.23 -1.32 1.22 -0.51 -0.54 0.00 0.00 175.26 174.34 2i2p s LEU 60 N 0.49 3.37 -0.78 2.70 1.02 -1.25 -3.60 118.68 120.64 2i2p s LEU 60 Ca 0.28 -0.08 -0.26 0.00 0.02 0.00 0.00 54.13 54.09 2i2p s LEU 60 Cb -0.05 -2.97 0.02 0.00 0.02 0.00 0.00 46.19 43.21 2i2p s LEU 60 CO -0.12 -1.59 1.46 -0.89 0.02 0.00 0.00 176.35 175.22 2i2p s THR 61 N 5.19 3.67 1.23 5.49 2.01 -1.12 -4.16 115.64 127.95 2i2p s THR 61 Ca 0.40 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 2i2p s THR 61 Cb -0.08 -4.71 0.26 0.00 0.01 0.00 0.00 72.50 67.98 2i2p s THR 61 CO 0.22 -1.64 0.65 0.18 -0.69 0.00 0.00 174.62 173.34 2i2p n LEU 62 N 10.19 -1.67 -4.03 4.42 4.32 -1.25 -1.98 117.00 127.00 2i2p n LEU 62 Ca 0.14 -0.35 -0.10 0.00 -0.02 0.00 0.00 56.01 55.68 2i2p n LEU 62 Cb 0.50 -1.07 -0.08 0.00 -1.62 0.00 0.00 43.42 41.15 2i2p n LEU 62 CO 0.69 -3.56 -0.11 -0.75 -1.22 0.00 0.00 177.39 172.44 2i2p s LYS 63 N -4.19 1.08 -0.07 3.23 2.47 -1.26 -4.63 119.74 116.37 2i2p s LYS 63 Ca 0.62 -1.27 -0.23 0.00 -1.56 0.00 0.00 55.97 53.53 2i2p s LYS 63 Cb -0.18 0.33 0.05 0.00 -1.46 0.00 0.00 37.83 36.58 2i2p s LYS 63 CO 0.61 -0.37 0.53 1.52 0.16 0.00 0.00 175.35 177.80 2i2p s TYR 64 N -4.00 -0.49 0.00 4.03 -0.85 -1.26 -1.69 117.35 113.10 2i2p s TYR 64 Ca 0.20 0.92 0.00 0.00 -0.52 0.00 0.00 57.07 57.66 2i2p s TYR 64 Cb 0.05 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.65 2i2p s TYR 64 CO 0.01 -0.47 0.00 0.34 -1.52 0.00 0.00 175.55 173.91 2i2p n PHE 65 N 1.44 0.00 0.00 -3.49 7.35 0.72 -4.83 117.46 118.65 2i2p n PHE 65 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2i2p n PHE 65 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2i2p n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2i2p n GLN 66 N 0.00 0.00 -0.18 -4.13 1.13 -1.26 -4.27 117.38 108.67 2i2p n GLN 66 Ca 0.00 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.11 2i2p n GLN 66 Cb 0.00 -0.41 0.07 0.00 0.11 0.00 0.00 30.24 30.01 2i2p n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i2p n GLY 67 N 0.00 2.75 3.32 1.08 0.00 -1.26 -5.06 105.19 106.01 2i2p n GLY 67 Ca 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2i2p n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i2p s LYS 68 N -1.57 1.44 0.73 1.61 2.47 -1.26 -5.16 119.74 118.00 2i2p s LYS 68 Ca 0.16 -1.78 -0.11 0.00 -1.56 0.00 0.00 55.97 52.68 2i2p s LYS 68 Cb 0.14 -0.22 0.04 0.00 -1.46 0.00 0.00 37.83 36.33 2i2p s LYS 68 CO 0.01 -0.32 1.10 0.00 0.16 0.00 0.00 175.35 176.30 2i2p s ALA 69 N -3.75 2.86 0.00 3.13 0.00 -1.26 -0.20 121.76 122.55 2i2p s ALA 69 Ca 0.37 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2i2p s ALA 69 Cb 0.07 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2i2p s ALA 69 CO 0.14 -1.31 0.00 0.28 0.00 0.00 0.00 175.76 174.88 2i2p n VAL 70 N -3.07 0.00 -1.40 0.00 0.31 -0.68 -4.47 118.33 109.02 2i2p n VAL 70 Ca 0.07 0.24 -0.41 0.00 -0.01 0.00 0.00 64.34 64.22 2i2p n VAL 70 Cb 0.59 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.66 2i2p n VAL 70 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2i2p n VAL 71 N -1.36 2.16 -2.52 2.52 0.31 -1.26 -4.73 118.33 113.45 2i2p n VAL 71 Ca 0.00 -1.95 -0.36 0.00 -0.01 0.00 0.00 64.34 62.02 2i2p n VAL 71 Cb 0.00 -2.35 0.01 0.00 -0.91 0.00 0.00 33.84 30.59 2i2p n VAL 71 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2i2p n GLU 72 N 7.06 4.18 0.00 5.55 0.00 -0.98 -4.60 120.64 131.84 2i2p n GLU 72 Ca 0.49 -4.44 0.00 0.00 0.00 0.00 0.00 57.16 53.22 2i2p n GLU 72 Cb 0.41 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.50 2i2p n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2i2p n SER 73 N -0.25 0.00 -4.52 4.31 2.88 -1.10 -4.95 113.62 109.99 2i2p n SER 73 Ca 0.44 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.67 2i2p n SER 73 Cb 0.32 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.67 2i2p n SER 73 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2i2p s ILE 74 N 0.00 3.18 -0.15 2.46 2.07 -1.26 -1.99 121.20 125.51 2i2p s ILE 74 Ca 0.00 -1.00 -0.27 0.00 -1.41 0.00 0.00 60.65 57.97 2i2p s ILE 74 Cb 0.00 -2.36 0.07 0.00 0.13 0.00 0.00 42.46 40.29 2i2p s ILE 74 CO 0.00 0.36 0.67 -1.10 -1.91 0.00 0.00 174.94 172.96 2i2p s GLN 75 N -1.44 0.93 0.79 3.50 -1.52 -1.26 -4.95 119.66 115.71 2i2p s GLN 75 Ca 0.16 0.58 -0.12 0.00 -1.95 0.00 0.00 55.36 54.03 2i2p s GLN 75 Cb -0.11 0.44 0.07 0.00 -0.22 0.00 0.00 33.01 33.19 2i2p s GLN 75 CO 0.06 -0.21 1.16 0.50 -0.25 0.00 0.00 175.29 176.55 2i2p s ARG 76 N -0.46 2.15 0.01 2.91 3.00 -1.26 -0.73 118.95 124.57 2i2p s ARG 76 Ca -0.06 0.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.88 2i2p s ARG 76 Cb -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 34.95 32.96 2i2p s ARG 76 CO 0.06 -1.49 0.00 0.28 0.00 0.00 0.00 175.30 174.15 2i2p n VAL 77 N -3.26 0.00 -0.59 7.11 0.31 -0.64 -4.82 118.33 116.44 2i2p n VAL 77 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 2i2p n VAL 77 Cb 0.60 -0.01 -0.06 0.00 -0.91 0.00 0.00 33.84 33.46 2i2p n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2i2p n SER 78 N -2.53 3.47 -4.74 4.52 2.88 -1.23 -4.75 113.62 111.24 2i2p n SER 78 Ca 0.00 -2.13 -0.31 0.00 -1.33 0.00 0.00 58.87 55.11 2i2p n SER 78 Cb 0.00 -0.87 0.11 0.00 -0.75 0.00 0.00 64.21 62.71 2i2p n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i2p s ARG 79 N 2.59 1.83 0.69 -1.46 1.70 -1.26 -4.50 118.95 118.54 2i2p s ARG 79 Ca 0.35 1.07 -0.17 0.00 -0.47 0.00 0.00 55.73 56.52 2i2p s ARG 79 Cb 0.14 -1.86 0.01 0.00 -0.57 0.00 0.00 34.95 32.67 2i2p s ARG 79 CO -0.01 -1.91 1.25 -0.35 -1.08 0.00 0.00 175.30 173.20 2i2p n PRO 80 N -3.69 0.87 -2.46 3.89 -0.04 -1.26 -0.77 135.00 131.54 2i2p n PRO 80 Ca 0.08 0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 63.70 2i2p n PRO 80 Cb 0.54 -2.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 2i2p n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i2p n GLY 81 N 0.85 -0.50 0.00 0.55 0.00 -1.26 -4.56 105.19 100.27 2i2p n GLY 81 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2i2p n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2i2p n LEU 82 N -3.08 0.00 -4.28 0.99 -0.00 -1.05 -5.14 117.00 104.44 2i2p n LEU 82 Ca -0.23 -0.08 -0.51 0.00 -0.00 0.00 0.00 56.01 55.20 2i2p n LEU 82 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.04 2i2p n LEU 82 CO 0.29 0.25 0.25 0.54 -0.00 0.00 0.00 177.39 178.72 2i2p n ARG 83 N 0.00 0.00 -4.82 1.96 5.12 0.05 -4.54 116.66 114.44 2i2p n ARG 83 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 2i2p n ARG 83 Cb 0.09 -1.19 -0.13 0.00 -1.16 0.00 0.00 32.46 30.07 2i2p n ARG 83 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2i2p s ILE 84 N -0.52 3.18 -0.00 0.55 1.09 -1.26 -4.98 121.20 119.26 2i2p s ILE 84 Ca 0.74 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 59.58 2i2p s ILE 84 Cb -1.05 -2.27 0.01 0.00 -1.06 0.00 0.00 42.46 38.09 2i2p s ILE 84 CO 0.54 0.57 0.00 -0.31 -0.10 0.00 0.00 174.94 175.65 2i2p s TYR 85 N -0.77 0.01 0.01 3.97 1.51 -1.26 -3.80 117.35 117.03 2i2p s TYR 85 Ca 0.12 0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 56.14 2i2p s TYR 85 Cb -0.11 -0.05 -0.00 0.00 -0.11 0.00 0.00 41.96 41.69 2i2p s TYR 85 CO 0.01 -0.02 0.11 0.15 -1.11 0.00 0.00 175.55 174.70 2i2p s LYS 86 N 0.21 0.48 0.87 -0.62 1.02 -1.26 -5.07 119.74 115.36 2i2p s LYS 86 Ca -0.02 -0.46 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 2i2p s LYS 86 Cb -0.03 0.19 0.14 0.00 -0.52 0.00 0.00 37.83 37.62 2i2p s LYS 86 CO -0.01 -0.11 1.23 1.03 -0.92 0.00 0.00 175.35 176.57 2i2p s ARG 87 N -1.52 1.33 0.25 1.68 0.52 -1.26 -4.04 118.95 115.92 2i2p s ARG 87 Ca -0.14 -0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2i2p s ARG 87 Cb -0.07 -1.93 0.44 0.00 0.52 0.00 0.00 34.95 33.91 2i2p s ARG 87 CO 0.01 -1.96 1.79 1.57 0.02 0.00 0.00 175.30 176.73 2i2p h LYS 88 N -1.28 0.69 -0.08 3.54 2.10 -1.97 0.65 116.57 120.22 2i2p h LYS 88 Ca -0.45 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2i2p h LYS 88 Cb 1.28 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2i2p h LYS 88 CO 0.51 0.45 0.00 -0.25 -2.00 0.00 0.00 179.45 178.17 2i2p n ASP 89 N -4.80 0.08 0.00 7.07 9.92 -1.26 -2.55 116.55 125.01 2i2p n ASP 89 Ca 0.15 -1.81 0.00 0.00 -0.53 0.00 0.00 54.79 52.59 2i2p n ASP 89 Cb 0.34 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 2i2p n ASP 89 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2i2p n GLU 90 N -0.45 3.36 -1.24 -1.24 1.02 0.16 -5.09 120.64 117.15 2i2p n GLU 90 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2i2p n GLU 90 Cb 0.02 -0.39 -0.01 0.00 -0.02 0.00 0.00 31.44 31.04 2i2p n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2i2p n LEU 91 N -0.57 -2.33 -4.58 -4.62 4.77 0.18 -4.79 117.00 105.06 2i2p n LEU 91 Ca 0.00 0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 56.51 2i2p n LEU 91 Cb 0.00 -0.84 0.25 0.00 -2.33 0.00 0.00 43.42 40.50 2i2p n LEU 91 CO 0.00 -3.67 0.62 -2.16 -1.33 0.00 0.00 177.39 170.85 2i2p s PRO 92 N -0.94 -1.47 -0.44 3.23 0.04 -1.26 -5.05 135.00 129.11 2i2p s PRO 92 Ca 0.57 -0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.50 2i2p s PRO 92 Cb -0.67 -1.57 0.30 0.00 0.04 0.00 0.00 34.50 32.60 2i2p s PRO 92 CO 0.57 -3.86 1.11 0.36 0.04 0.00 0.00 177.00 175.22 2i2p n LYS 93 N -4.85 0.76 -0.90 4.56 0.00 -1.26 -5.05 118.16 111.43 2i2p n LYS 93 Ca 0.14 -1.61 -0.35 0.00 -0.00 0.00 0.00 58.31 56.50 2i2p n LYS 93 Cb 0.60 -0.96 -0.04 0.00 -0.00 0.00 0.00 35.03 34.63 2i2p n LYS 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2i2p n VAL 94 N 0.80 0.16 -2.90 0.58 0.31 -1.26 -2.51 118.33 113.51 2i2p n VAL 94 Ca 0.05 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 2i2p n VAL 94 Cb 0.69 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 2i2p n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2i2p n MET 95 N 0.87 -0.69 -4.11 5.55 0.00 -1.26 -0.37 117.12 117.11 2i2p n MET 95 Ca 0.12 0.36 -0.33 0.00 -0.00 0.00 0.00 57.70 57.86 2i2p n MET 95 Cb 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 33.22 32.31 2i2p n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2i2p n ALA 96 N -1.20 -2.18 0.00 -5.12 0.00 -1.06 -0.22 120.51 110.73 2i2p n ALA 96 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2i2p n ALA 96 Cb 0.30 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2i2p n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 97 N -2.23 1.42 0.25 0.00 0.00 0.50 -4.73 105.19 100.40 2i2p n GLY 97 Ca -0.26 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2i2p n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2i2p h LEU 98 N 0.00 0.00 0.00 0.99 4.07 -0.46 -3.44 115.31 116.47 2i2p h LEU 98 Ca 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 2i2p h LEU 98 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2i2p h LEU 98 CO 0.00 0.15 -0.09 0.61 -1.08 0.00 0.00 178.44 178.03 2i2p n GLY 99 N -0.49 2.71 3.05 0.83 0.00 -0.69 -4.99 105.19 105.60 2i2p n GLY 99 Ca -0.01 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 2i2p n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2i2p s ILE 100 N -0.94 0.51 -0.21 -0.61 -4.36 -0.76 -4.43 121.20 110.41 2i2p s ILE 100 Ca 0.15 -1.01 -0.01 0.00 -0.26 0.00 0.00 60.65 59.52 2i2p s ILE 100 Cb -0.01 -0.57 0.06 0.00 1.25 0.00 0.00 42.46 43.19 2i2p s ILE 100 CO 0.10 -0.35 -0.01 0.00 0.24 0.00 0.00 174.94 174.92 2i2p s ALA 101 N -1.29 1.45 0.13 2.27 0.00 -1.26 -1.18 121.76 121.88 2i2p s ALA 101 Ca -0.09 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 50.54 2i2p s ALA 101 Cb -0.09 -1.29 -0.13 0.00 0.00 0.00 0.00 23.12 21.61 2i2p s ALA 101 CO 0.00 -1.16 1.65 0.28 0.00 0.00 0.00 175.76 176.52 2i2p n VAL 102 N 4.87 0.10 -3.89 0.00 0.31 -1.21 -2.93 118.33 115.59 2i2p n VAL 102 Ca -0.10 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 63.94 2i2p n VAL 102 Cb 0.46 -1.65 -0.17 0.00 -0.91 0.00 0.00 33.84 31.57 2i2p n VAL 102 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2i2p s VAL 103 N 1.47 1.01 -1.18 2.52 1.01 -0.48 0.27 120.40 125.01 2i2p s VAL 103 Ca 0.81 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 2i2p s VAL 103 Cb -0.66 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 34.72 2i2p s VAL 103 CO 0.39 0.29 1.57 -0.55 0.00 0.00 0.00 175.10 176.81 2i2p s SER 104 N 1.71 6.76 0.86 3.32 0.15 -0.91 -0.97 113.70 124.62 2i2p s SER 104 Ca 0.04 -2.21 -0.12 0.00 0.70 0.00 0.00 55.95 54.36 2i2p s SER 104 Cb -0.13 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.75 2i2p s SER 104 CO -0.08 -1.20 1.18 0.42 1.20 0.00 0.00 173.24 174.75 2i2p s THR 105 N 3.98 1.99 0.55 6.45 -4.23 -1.00 -1.88 115.64 121.51 2i2p s THR 105 Ca 0.49 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.26 2i2p s THR 105 Cb 0.01 -2.91 0.33 0.00 1.34 0.00 0.00 72.50 71.27 2i2p s THR 105 CO 0.00 0.00 2.21 -1.28 -0.54 0.00 0.00 174.62 175.01 2i2p h SER 106 N -1.27 0.00 -2.36 3.99 0.87 -1.94 -2.86 113.55 109.99 2i2p h SER 106 Ca -0.47 0.00 -0.81 0.00 -1.23 0.00 0.00 61.79 59.28 2i2p h SER 106 Cb 1.32 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 63.01 2i2p h SER 106 CO 0.62 0.02 1.00 1.17 -0.53 0.00 0.00 176.83 179.11 2i2p n LYS 107 N -3.97 5.30 -0.70 2.24 4.81 -1.26 -4.99 118.16 119.59 2i2p n LYS 107 Ca -0.03 -4.65 0.09 0.00 -0.87 0.00 0.00 58.31 52.85 2i2p n LYS 107 Cb 0.11 -2.48 -0.04 0.00 0.02 0.00 0.00 35.03 32.64 2i2p n LYS 107 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2i2p n GLY 108 N 0.17 -2.72 3.77 3.14 0.00 -1.08 -4.85 105.19 103.62 2i2p n GLY 108 Ca 0.44 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 2i2p n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i2p s VAL 109 N -3.23 4.52 0.17 1.61 1.01 -1.26 -2.38 120.40 120.84 2i2p s VAL 109 Ca 0.00 1.62 -0.21 0.00 0.00 0.00 0.00 61.98 63.38 2i2p s VAL 109 Cb 0.00 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.33 2i2p s VAL 109 CO 0.00 0.48 0.58 0.00 0.00 0.00 0.00 175.10 176.16 2i2p s MET 110 N -0.84 1.33 0.98 2.72 0.00 -0.14 -4.93 119.30 118.43 2i2p s MET 110 Ca 0.36 -0.61 -0.13 0.00 0.00 0.00 0.00 55.69 55.30 2i2p s MET 110 Cb -0.22 0.57 0.08 0.00 0.00 0.00 0.00 34.83 35.26 2i2p s MET 110 CO 0.24 -0.58 0.48 -2.37 0.00 0.00 0.00 175.02 172.80 2i2p n THR 111 N -0.36 0.00 -0.34 3.16 5.66 -1.26 -1.39 114.28 119.75 2i2p n THR 111 Ca -0.14 -0.19 0.14 0.00 -3.05 0.00 0.00 64.05 60.81 2i2p n THR 111 Cb 0.64 -0.69 0.33 0.00 -1.55 0.00 0.00 70.33 69.06 2i2p n THR 111 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2i2p h ASP 112 N -1.75 0.63 0.36 1.09 -0.00 -1.90 -2.74 116.42 112.11 2i2p h ASP 112 Ca -0.46 0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 56.68 2i2p h ASP 112 Cb 1.29 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.63 2i2p h ASP 112 CO 0.37 0.15 -0.34 -0.09 -0.00 0.00 0.00 179.24 179.33 2i2p h ARG 113 N 0.61 -0.67 0.00 0.28 2.43 -1.91 -1.69 114.38 113.44 2i2p h ARG 113 Ca 0.59 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 2i2p h ARG 113 Cb 1.03 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2i2p h ARG 113 CO -0.44 -0.44 0.50 0.00 -1.51 0.00 0.00 179.97 178.07 2i2p h ALA 114 N -1.21 1.46 0.68 2.80 0.00 -1.82 -0.37 119.26 120.80 2i2p h ALA 114 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2i2p h ALA 114 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2i2p h ALA 114 CO -0.03 -0.46 -0.33 0.00 0.00 0.00 0.00 179.25 178.43 2i2p h ALA 115 N 0.94 -0.92 -0.31 0.00 0.00 -1.22 -0.11 119.26 117.64 2i2p h ALA 115 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2i2p h ALA 115 Cb 1.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2i2p h ALA 115 CO 0.00 -0.88 -0.45 0.00 0.00 0.00 0.00 179.25 177.93 2i2p h ARG 116 N -1.19 0.85 -0.91 0.00 -0.00 -1.23 0.23 114.38 112.14 2i2p h ARG 116 Ca -0.09 -0.50 0.14 0.00 -0.50 0.00 0.00 59.98 59.02 2i2p h ARG 116 Cb 0.72 0.04 -0.07 0.00 0.00 0.00 0.00 29.97 30.66 2i2p h ARG 116 CO 0.15 1.14 0.58 0.37 0.00 0.00 0.00 179.97 182.22 2i2p h GLN 117 N 0.64 0.73 0.00 0.04 -0.00 -1.17 0.13 115.11 115.47 2i2p h GLN 117 Ca 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2i2p h GLN 117 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.36 2i2p h GLN 117 CO 0.10 0.48 -0.95 0.00 0.00 0.00 0.00 178.83 178.46 2i2p n ALA 118 N -2.42 3.39 -2.54 3.38 0.00 -0.05 -5.03 120.51 117.24 2i2p n ALA 118 Ca 0.17 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 2i2p n ALA 118 Cb 0.44 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.90 2i2p n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 119 N 1.37 -1.17 0.00 0.00 0.00 0.77 -5.06 105.19 101.12 2i2p n GLY 119 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2i2p n GLY 119 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2i2p n LEU 120 N -0.38 0.00 -4.97 0.99 -0.00 -0.92 -5.01 117.00 106.71 2i2p n LEU 120 Ca 0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.90 2i2p n LEU 120 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.78 2i2p n LEU 120 CO 0.37 0.00 0.14 -0.83 -0.00 0.00 0.00 177.39 177.07 2i2p s GLY 121 N 0.00 2.00 0.03 1.47 0.00 -1.26 -4.58 107.32 104.98 2i2p s GLY 121 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 2i2p s GLY 121 CO 0.00 -1.65 1.09 -0.32 0.00 0.00 0.00 173.10 172.22 2i2p s GLY 122 N -4.36 -0.34 -0.66 0.20 0.00 -1.26 -4.10 107.32 96.81 2i2p s GLY 122 Ca 0.52 0.62 -0.26 0.00 0.00 0.00 0.00 44.72 45.60 2i2p s GLY 122 CO 0.32 0.15 2.21 1.85 0.00 0.00 0.00 173.10 177.63 2i2p s GLU 123 N -2.87 2.16 0.43 2.90 2.12 -0.79 -4.42 118.70 118.24 2i2p s GLU 123 Ca 0.11 0.72 -0.24 0.00 0.36 0.00 0.00 54.97 55.93 2i2p s GLU 123 Cb 0.01 -4.67 -0.10 0.00 0.26 0.00 0.00 34.13 29.63 2i2p s GLU 123 CO -0.02 -3.48 0.96 -0.89 -0.54 0.00 0.00 175.26 171.29 2i2p n ILE 124 N 8.00 2.45 0.00 -3.70 5.41 -1.25 -2.15 119.36 128.13 2i2p n ILE 124 Ca 0.36 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2i2p n ILE 124 Cb 0.50 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 2i2p n ILE 124 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2i2p n ILE 125 N -0.60 0.00 -3.42 1.39 5.41 0.14 -3.86 119.36 118.43 2i2p n ILE 125 Ca 0.10 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.63 2i2p n ILE 125 Cb 0.40 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.35 2i2p n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i2p n TYR 127 N -1.98 3.86 -1.68 0.00 4.02 0.09 -3.28 117.16 118.19 2i2p n TYR 127 Ca 0.07 -3.96 -0.44 0.00 -0.01 0.00 0.00 57.90 53.57 2i2p n TYR 127 Cb 0.63 -0.55 -0.02 0.00 -0.02 0.00 0.00 39.34 39.38 2i2p n TYR 127 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2i2p n VAL 128 N 0.12 1.55 -0.88 -0.72 0.31 -0.33 -4.16 118.33 114.22 2i2p n VAL 128 Ca 0.31 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2i2p n VAL 128 Cb 0.39 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2i2p n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51