#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p s GLN 4 N 0.00 1.96 0.13 1.20 -0.21 -1.26 -4.56 119.66 116.91 2i2p s GLN 4 Ca 0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.75 2i2p s GLN 4 Cb 0.00 -5.08 0.03 0.00 1.00 0.00 0.00 33.01 28.96 2i2p s GLN 4 CO 0.00 -4.46 0.12 0.66 -2.12 0.00 0.00 175.29 169.48 2i2p n TYR 5 N 16.60 -3.13 -3.68 0.91 0.53 -1.20 -5.01 117.16 122.19 2i2p n TYR 5 Ca 0.43 -0.10 -0.14 0.00 -1.02 0.00 0.00 57.90 57.06 2i2p n TYR 5 Cb 0.46 -0.12 -0.08 0.00 -1.03 0.00 0.00 39.34 38.57 2i2p n TYR 5 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 2i2p s TYR 6 N -1.21 -0.48 -0.15 -0.72 6.14 -1.26 -4.46 117.35 115.21 2i2p s TYR 6 Ca 0.07 1.02 -0.04 0.00 0.64 0.00 0.00 57.07 58.77 2i2p s TYR 6 Cb -0.01 0.21 0.05 0.00 0.42 0.00 0.00 41.96 42.64 2i2p s TYR 6 CO 0.06 -0.38 0.07 0.20 0.64 0.00 0.00 175.55 176.14 2i2p s GLY 7 N -0.48 0.41 0.03 8.97 0.00 -0.70 -4.30 107.32 111.25 2i2p s GLY 7 Ca -0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.28 2i2p s GLY 7 CO 0.04 1.59 1.14 -0.91 0.00 0.00 0.00 173.10 174.95 2i2p h THR 8 N 6.44 0.00 -6.48 0.90 1.35 -1.84 0.28 112.91 113.55 2i2p h THR 8 Ca -0.15 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.22 2i2p h THR 8 Cb 1.14 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.58 2i2p h THR 8 CO 0.28 0.00 -0.95 0.61 -0.25 0.00 0.00 175.52 175.21 2i2p n GLY 9 N -1.09 -0.76 2.75 5.82 0.00 -1.26 -3.62 105.19 107.03 2i2p n GLY 9 Ca -0.01 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 2i2p n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i2p s ARG 10 N -6.49 0.91 0.13 1.61 1.70 -1.26 0.31 118.95 115.86 2i2p s ARG 10 Ca 0.36 -1.37 -0.09 0.00 -0.47 0.00 0.00 55.73 54.17 2i2p s ARG 10 Cb -0.15 -2.17 -0.01 0.00 -0.57 0.00 0.00 34.95 32.06 2i2p s ARG 10 CO 0.90 -1.03 0.23 -0.98 -1.08 0.00 0.00 175.30 173.34 2i2p s ARG 11 N 1.25 1.01 -0.94 3.89 1.04 -0.41 -4.84 118.95 119.95 2i2p s ARG 11 Ca 0.12 -1.09 -0.10 0.00 -1.04 0.00 0.00 55.73 53.62 2i2p s ARG 11 Cb -0.19 0.36 0.00 0.00 -2.04 0.00 0.00 34.95 33.08 2i2p s ARG 11 CO -0.17 -0.35 0.69 1.17 -0.04 0.00 0.00 175.30 176.60 2i2p n LYS 12 N -0.14 -1.27 -0.54 3.89 4.81 -1.26 -0.41 118.16 123.24 2i2p n LYS 12 Ca -0.11 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2i2p n LYS 12 Cb 0.63 -3.62 0.00 0.00 0.02 0.00 0.00 35.03 32.06 2i2p n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2i2p n SER 13 N -2.40 -0.01 -4.86 3.14 2.88 -1.26 -4.09 113.62 107.01 2i2p n SER 13 Ca -0.16 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.17 2i2p n SER 13 Cb 0.61 -2.32 -0.03 0.00 -0.75 0.00 0.00 64.21 61.71 2i2p n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2i2p s SER 14 N -2.07 5.22 -0.29 -3.46 0.01 0.46 -1.65 113.70 111.91 2i2p s SER 14 Ca 0.00 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2i2p s SER 14 Cb 0.00 -0.84 0.19 0.00 0.21 0.00 0.00 66.02 65.58 2i2p s SER 14 CO 0.00 -0.45 0.58 0.00 0.41 0.00 0.00 173.24 173.78 2i2p s ALA 15 N -2.36 -2.24 0.36 1.44 0.00 -0.50 -1.29 121.76 117.17 2i2p s ALA 15 Ca 0.43 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.89 2i2p s ALA 15 Cb -0.05 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.83 2i2p s ALA 15 CO 0.27 -1.54 0.46 0.00 0.00 0.00 0.00 175.76 174.95 2i2p n ALA 16 N 5.42 0.74 -3.39 0.00 0.00 0.90 0.78 120.51 124.96 2i2p n ALA 16 Ca 0.01 -1.33 -0.20 0.00 0.00 0.00 0.00 53.44 51.92 2i2p n ALA 16 Cb 0.52 0.39 -0.09 0.00 0.00 0.00 0.00 19.45 20.28 2i2p n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i2p s ARG 17 N -3.61 0.61 -0.51 0.00 0.52 -1.03 -4.41 118.95 110.52 2i2p s ARG 17 Ca 0.35 -0.97 -0.27 0.00 -0.52 0.00 0.00 55.73 54.32 2i2p s ARG 17 Cb -0.03 -0.87 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 2i2p s ARG 17 CO 0.22 -1.20 2.06 0.08 0.02 0.00 0.00 175.30 176.48 2i2p s VAL 18 N 1.35 3.24 -0.96 3.52 1.01 0.09 -3.38 120.40 125.25 2i2p s VAL 18 Ca 0.17 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 2i2p s VAL 18 Cb -0.17 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.79 2i2p s VAL 18 CO -0.03 -0.49 1.21 -0.36 0.00 0.00 0.00 175.10 175.44 2i2p s PHE 19 N 9.76 2.99 -0.78 5.22 0.08 -0.61 -1.72 117.98 132.92 2i2p s PHE 19 Ca 0.81 -1.29 -0.25 0.00 0.12 0.00 0.00 56.93 56.33 2i2p s PHE 19 Cb -0.17 -4.38 0.05 0.00 -0.57 0.00 0.00 43.02 37.95 2i2p s PHE 19 CO 0.25 -1.59 1.22 0.42 -0.10 0.00 0.00 175.22 175.42 2i2p s ILE 20 N 3.19 3.99 0.38 0.64 1.09 -1.26 -3.31 121.20 125.92 2i2p s ILE 20 Ca 0.36 -0.14 -0.01 0.00 -1.10 0.00 0.00 60.65 59.76 2i2p s ILE 20 Cb -0.04 -4.87 -0.03 0.00 -1.06 0.00 0.00 42.46 36.46 2i2p s ILE 20 CO -0.09 -1.74 0.61 -0.54 -0.10 0.00 0.00 174.94 173.07 2i2p s LYS 21 N 4.95 3.50 -0.28 2.79 1.02 -1.19 -3.21 119.74 127.32 2i2p s LYS 21 Ca 0.33 -0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.84 2i2p s LYS 21 Cb -0.09 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 2i2p s LYS 21 CO 0.08 0.06 1.68 -1.25 -0.92 0.00 0.00 175.35 174.99 2i2p s PRO 22 N -4.42 3.59 0.72 -1.68 0.04 -1.26 0.94 135.00 132.93 2i2p s PRO 22 Ca 0.42 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2i2p s PRO 22 Cb -0.10 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2i2p s PRO 22 CO 0.38 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 176.29 2i2p n GLY 23 N 5.01 -1.97 2.77 0.56 0.00 -1.17 -4.75 105.19 105.63 2i2p n GLY 23 Ca 0.20 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 2i2p n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i2p n ASN 24 N -0.87 -5.73 -1.42 1.61 5.03 0.15 -1.70 115.26 112.33 2i2p n ASN 24 Ca 0.00 1.27 -0.02 0.00 0.87 0.00 0.00 54.58 56.70 2i2p n ASN 24 Cb 0.08 -4.66 0.01 0.00 -1.02 0.00 0.00 39.78 34.19 2i2p n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2i2p n GLY 25 N 1.17 2.54 3.88 7.41 0.00 0.57 -3.42 105.19 117.32 2i2p n GLY 25 Ca -0.12 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2i2p n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i2p s LYS 26 N -0.19 3.64 -0.03 1.61 -2.85 -1.26 -4.64 119.74 116.02 2i2p s LYS 26 Ca 0.03 0.01 0.07 0.00 -1.00 0.00 0.00 55.97 55.08 2i2p s LYS 26 Cb 0.03 -3.07 -0.02 0.00 -2.06 0.00 0.00 37.83 32.71 2i2p s LYS 26 CO 0.00 0.63 -0.23 0.42 0.10 0.00 0.00 175.35 176.27 2i2p s ILE 27 N -1.30 2.27 -0.42 3.79 1.09 -1.26 -2.02 121.20 123.36 2i2p s ILE 27 Ca 0.28 -1.02 0.06 0.00 -1.10 0.00 0.00 60.65 58.87 2i2p s ILE 27 Cb -0.13 -1.81 0.21 0.00 -1.06 0.00 0.00 42.46 39.66 2i2p s ILE 27 CO 0.16 0.58 0.48 0.52 -0.10 0.00 0.00 174.94 176.58 2i2p n VAL 28 N 2.48 -0.83 -2.79 2.92 0.31 -1.26 -3.53 118.33 115.63 2i2p n VAL 28 Ca -0.16 -3.34 -0.40 0.00 -0.01 0.00 0.00 64.34 60.42 2i2p n VAL 28 Cb 0.51 -1.35 -0.05 0.00 -0.91 0.00 0.00 33.84 32.04 2i2p n VAL 28 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2i2p s ILE 29 N -0.35 4.39 -0.68 2.52 -4.36 0.35 -4.31 121.20 118.75 2i2p s ILE 29 Ca 0.34 1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 62.59 2i2p s ILE 29 Cb 0.10 -4.28 0.02 0.00 1.25 0.00 0.00 42.46 39.55 2i2p s ILE 29 CO -0.15 0.40 0.63 0.59 0.24 0.00 0.00 174.94 176.65 2i2p n ASN 30 N 2.28 -5.67 -2.69 4.36 4.13 -1.26 -1.60 115.26 114.81 2i2p n ASN 30 Ca -0.00 -0.51 -0.04 0.00 1.68 0.00 0.00 54.58 55.70 2i2p n ASN 30 Cb 0.49 -2.45 -0.01 0.00 -1.54 0.00 0.00 39.78 36.26 2i2p n ASN 30 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2i2p n GLN 31 N -1.67 -2.75 -3.46 3.52 7.27 -1.26 -4.84 117.38 114.19 2i2p n GLN 31 Ca -0.18 0.01 -0.12 0.00 0.07 0.00 0.00 57.00 56.78 2i2p n GLN 31 Cb 0.65 -4.49 -0.03 0.00 2.41 0.00 0.00 30.24 28.78 2i2p n GLN 31 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2i2p s ARG 32 N -5.19 1.23 0.64 3.69 0.52 -0.63 -5.15 118.95 114.07 2i2p s ARG 32 Ca 0.08 -0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 54.77 2i2p s ARG 32 Cb -0.05 0.57 0.02 0.00 0.52 0.00 0.00 34.95 36.01 2i2p s ARG 32 CO 0.10 -0.52 0.96 -1.54 0.02 0.00 0.00 175.30 174.32 2i2p s SER 33 N -2.65 5.42 0.00 0.23 1.04 -1.26 0.13 113.70 116.61 2i2p s SER 33 Ca 0.00 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2i2p s SER 33 Cb -0.01 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2i2p s SER 33 CO -0.11 -1.22 0.92 -0.11 0.98 0.00 0.00 173.24 173.70 2i2p n LEU 34 N -2.74 0.00 0.32 2.42 7.94 -1.23 0.21 117.00 123.92 2i2p n LEU 34 Ca 0.06 0.92 0.20 0.00 -1.11 0.00 0.00 56.01 56.08 2i2p n LEU 34 Cb 0.58 -0.42 1.08 0.00 0.53 0.00 0.00 43.42 45.19 2i2p n LEU 34 CO 0.54 -0.42 1.14 -0.08 -1.11 0.00 0.00 177.39 177.45 2i2p h GLU 35 N 0.00 0.00 -1.88 1.96 4.57 -1.93 -2.86 114.58 114.44 2i2p h GLU 35 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 2i2p h GLU 35 Cb 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.47 2i2p h GLU 35 CO 0.00 0.01 0.15 0.94 -1.18 0.00 0.00 179.01 178.93 2i2p n GLN 36 N -3.22 1.98 0.00 1.92 7.27 0.13 -3.96 117.38 121.50 2i2p n GLN 36 Ca -0.02 -1.51 0.00 0.00 0.07 0.00 0.00 57.00 55.53 2i2p n GLN 36 Cb 0.12 -1.83 0.00 0.00 2.41 0.00 0.00 30.24 30.93 2i2p n GLN 36 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 2i2p n TYR 37 N 1.25 0.00 0.30 3.69 9.36 -1.09 -4.06 117.16 126.60 2i2p n TYR 37 Ca 0.37 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.74 2i2p n TYR 37 Cb 0.65 0.00 0.59 0.00 -0.63 0.00 0.00 39.34 39.94 2i2p n TYR 37 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2i2p h PHE 38 N 0.00 0.00 -3.51 2.98 0.05 -1.82 -3.46 116.94 111.18 2i2p h PHE 38 Ca 0.00 0.00 -0.56 0.00 3.82 0.00 0.00 57.97 61.23 2i2p h PHE 38 Cb 0.00 0.00 0.18 0.00 2.00 0.00 0.00 35.95 38.13 2i2p h PHE 38 CO 0.00 0.00 -0.12 0.41 -0.18 0.00 0.00 178.31 178.42 2i2p n GLY 39 N 0.20 -0.92 2.29 -1.45 0.00 -1.13 -3.23 105.19 100.95 2i2p n GLY 39 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 2i2p n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2p n ARG 40 N -1.30 -1.66 0.00 1.61 1.74 -1.26 -4.84 116.66 110.94 2i2p n ARG 40 Ca 0.12 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2i2p n ARG 40 Cb 0.49 -4.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.46 2i2p n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2i2p n GLU 41 N -2.19 0.00 -4.00 5.56 4.71 -1.20 -5.13 120.64 118.38 2i2p n GLU 41 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 56.96 2i2p n GLU 41 Cb 0.58 -0.49 -0.04 0.00 -1.01 0.00 0.00 31.44 30.48 2i2p n GLU 41 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2i2p s THR 42 N -1.00 0.00 0.00 2.62 -4.23 -1.26 -5.01 115.64 106.76 2i2p s THR 42 Ca 0.00 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2i2p s THR 42 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2i2p s THR 42 CO 0.00 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.20 2i2p n ALA 43 N -0.43 2.81 0.00 3.99 0.00 -1.26 -4.40 120.51 121.22 2i2p n ALA 43 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2i2p n ALA 43 Cb 0.62 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2i2p n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2i2p n ARG 44 N 1.13 0.00 0.00 0.00 -4.01 -1.26 -1.80 116.66 110.72 2i2p n ARG 44 Ca 0.00 0.32 0.05 0.00 -1.04 0.00 0.00 57.85 57.18 2i2p n ARG 44 Cb 0.37 -1.65 0.28 0.00 -3.04 0.00 0.00 32.46 28.43 2i2p n ARG 44 CO 0.00 0.00 0.00 -0.12 -3.04 0.00 0.00 177.63 174.47 2i2p n MET 45 N -1.31 0.29 0.00 2.89 1.56 -1.26 -2.77 117.12 116.53 2i2p n MET 45 Ca 0.00 0.01 0.02 0.00 -0.27 0.00 0.00 57.70 57.46 2i2p n MET 45 Cb 0.15 -1.50 0.13 0.00 2.15 0.00 0.00 33.22 34.14 2i2p n MET 45 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2i2p n VAL 46 N -1.01 0.00 0.13 1.12 0.24 -0.75 -2.37 118.33 115.69 2i2p n VAL 46 Ca 0.07 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.35 2i2p n VAL 46 Cb 0.03 -0.59 0.15 0.00 -1.47 0.00 0.00 33.84 31.96 2i2p n VAL 46 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 2i2p h VAL 47 N 0.00 1.45 0.00 3.34 -1.51 -1.83 -2.81 116.25 114.90 2i2p h VAL 47 Ca 0.00 -2.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 2i2p h VAL 47 Cb 0.00 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2i2p h VAL 47 CO 0.00 0.62 -0.41 0.08 -1.23 0.00 0.00 177.57 176.64 2i2p h ARG 48 N 0.02 0.00 -0.86 5.19 0.11 -1.79 -3.36 114.38 113.70 2i2p h ARG 48 Ca -0.01 0.00 0.22 0.00 0.10 0.00 0.00 59.98 60.29 2i2p h ARG 48 Cb 1.13 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.07 2i2p h ARG 48 CO 0.09 0.00 0.08 0.37 0.10 0.00 0.00 179.97 180.61 2i2p h GLN 49 N 0.00 0.11 -0.38 0.08 4.15 -1.66 0.39 115.11 117.80 2i2p h GLN 49 Ca 0.00 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 2i2p h GLN 49 Cb 0.80 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2i2p h GLN 49 CO 0.00 0.07 -0.24 -1.00 -1.93 0.00 0.00 178.83 175.74 2i2p h PRO 50 N 0.11 0.77 0.00 -2.39 0.13 -1.75 -2.19 132.00 126.67 2i2p h PRO 50 Ca 0.51 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2i2p h PRO 50 Cb 0.98 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2i2p h PRO 50 CO -0.73 0.93 0.00 -0.07 -0.23 0.00 0.00 178.00 177.90 2i2p h LEU 51 N 0.67 0.00 -5.33 1.56 3.38 -0.49 -3.30 115.31 111.79 2i2p h LEU 51 Ca 0.09 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.41 2i2p h LEU 51 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 2i2p h LEU 51 CO 0.06 0.00 3.52 -0.62 0.09 0.00 0.00 178.44 181.49 2i2p n GLU 52 N -2.42 3.27 0.00 1.13 1.02 -0.52 -1.89 120.64 121.23 2i2p n GLU 52 Ca -0.01 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.92 2i2p n GLU 52 Cb 0.10 -2.89 0.00 0.00 -0.02 0.00 0.00 31.44 28.63 2i2p n GLU 52 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2i2p n LEU 53 N 4.37 0.00 -0.36 -4.62 -0.00 -1.24 -4.96 117.00 110.19 2i2p n LEU 53 Ca 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.69 2i2p n LEU 53 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2i2p n LEU 53 CO 0.86 0.00 0.18 1.33 -0.00 0.00 0.00 177.39 179.76 2i2p n VAL 54 N 0.00 0.00 -4.52 1.96 0.24 -1.11 -5.16 118.33 109.74 2i2p n VAL 54 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 2i2p n VAL 54 Cb 0.00 0.02 -0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2i2p n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2i2p n ASP 55 N 0.00 -4.31 0.00 -1.34 10.43 -0.79 -5.05 116.55 115.49 2i2p n ASP 55 Ca 0.00 0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.42 2i2p n ASP 55 Cb 0.51 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 43.31 2i2p n ASP 55 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 2i2p n MET 56 N -1.50 0.00 0.00 -1.24 0.00 -1.26 -4.84 117.12 108.28 2i2p n MET 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2i2p n MET 56 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.24 2i2p n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2i2p n VAL 57 N 0.00 0.00 0.30 3.17 0.31 -1.25 0.20 118.33 121.07 2i2p n VAL 57 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2i2p n VAL 57 Cb 0.00 0.00 0.85 0.00 -0.91 0.00 0.00 33.84 33.78 2i2p n VAL 57 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2i2p h GLU 58 N 0.00 0.00 0.42 5.55 9.09 -1.91 0.52 114.58 128.25 2i2p h GLU 58 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2i2p h GLU 58 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2i2p h GLU 58 CO 0.00 0.00 -0.20 -0.22 0.05 0.00 0.00 179.01 178.64 2i2p h LYS 59 N 0.00 -0.54 0.00 1.06 3.64 -0.58 -3.35 116.57 116.80 2i2p h LYS 59 Ca 0.00 0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.19 2i2p h LYS 59 Cb 0.29 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2i2p h LYS 59 CO 0.00 -0.24 -0.12 1.28 -2.27 0.00 0.00 179.45 178.10 2i2p n LEU 60 N -5.21 0.00 -4.31 5.20 4.77 -1.14 -3.06 117.00 113.25 2i2p n LEU 60 Ca -0.10 -2.29 -0.29 0.00 -0.03 0.00 0.00 56.01 53.30 2i2p n LEU 60 Cb 0.29 2.04 -0.15 0.00 -2.33 0.00 0.00 43.42 43.27 2i2p n LEU 60 CO 0.30 -0.52 -0.56 -0.62 -1.33 0.00 0.00 177.39 174.66 2i2p s ASP 61 N -2.74 2.93 -0.15 -1.43 3.68 0.27 -2.18 116.67 117.04 2i2p s ASP 61 Ca 0.23 -0.54 0.14 0.00 2.13 0.00 0.00 52.55 54.52 2i2p s ASP 61 Cb -0.01 -0.28 0.37 0.00 -1.45 0.00 0.00 42.92 41.55 2i2p s ASP 61 CO 0.17 0.25 1.19 0.18 0.13 0.00 0.00 175.17 177.08 2i2p n LEU 62 N 1.97 2.28 -4.66 -1.34 7.99 -1.24 -3.16 117.00 118.84 2i2p n LEU 62 Ca -0.17 -3.33 -0.42 0.00 -0.01 0.00 0.00 56.01 52.08 2i2p n LEU 62 Cb 0.52 -0.41 -0.03 0.00 -0.11 0.00 0.00 43.42 43.39 2i2p n LEU 62 CO 0.23 1.07 1.31 -0.47 -1.51 0.00 0.00 177.39 178.02 2i2p s TYR 63 N -2.59 2.19 0.00 -1.77 5.04 -0.85 -4.52 117.35 114.85 2i2p s TYR 63 Ca 0.34 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2i2p s TYR 63 Cb 0.33 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.80 2i2p s TYR 63 CO -0.05 -3.44 0.00 -0.89 -1.34 0.00 0.00 175.55 169.83 2i2p n ILE 64 N 5.36 0.00 0.00 3.14 5.41 -1.26 -1.57 119.36 130.43 2i2p n ILE 64 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2i2p n ILE 64 Cb 0.43 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 2i2p n ILE 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2i2p n THR 65 N -0.00 0.00 -2.56 1.39 -1.04 -1.22 -2.59 114.28 108.27 2i2p n THR 65 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 2i2p n THR 65 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2i2p n THR 65 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2i2p s VAL 66 N 0.00 4.50 -0.04 12.58 0.11 -1.26 -2.47 120.40 133.82 2i2p s VAL 66 Ca 0.00 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2i2p s VAL 66 Cb 0.00 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2i2p s VAL 66 CO 0.00 -0.73 0.09 -0.54 -3.33 0.00 0.00 175.10 170.59 2i2p s LYS 67 N -4.82 0.04 0.42 1.54 3.01 0.23 -4.84 119.74 115.32 2i2p s LYS 67 Ca 0.50 0.25 0.00 0.00 -1.01 0.00 0.00 55.97 55.71 2i2p s LYS 67 Cb -0.10 -0.16 0.00 0.00 -1.01 0.00 0.00 37.83 36.55 2i2p s LYS 67 CO 0.45 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.58 2i2p n GLY 68 N 3.97 -3.16 0.00 -3.33 0.00 -1.26 -1.41 105.19 99.99 2i2p n GLY 68 Ca -0.24 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2i2p n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2p n GLY 69 N -3.53 0.47 3.96 -0.02 0.00 -0.66 -3.27 105.19 102.15 2i2p n GLY 69 Ca -0.06 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 2i2p n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i2p s GLY 70 N -0.10 1.80 0.00 -0.02 0.00 -1.26 -4.79 107.32 102.95 2i2p s GLY 70 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2i2p s GLY 70 CO 0.00 -0.92 0.52 1.39 0.00 0.00 0.00 173.10 174.08 2i2p n ILE 71 N -2.48 0.00 0.27 0.90 -0.00 -1.26 0.47 119.36 117.26 2i2p n ILE 71 Ca 0.08 1.02 0.15 0.00 -0.00 0.00 0.00 62.75 64.00 2i2p n ILE 71 Cb 0.60 -1.67 0.71 0.00 -0.00 0.00 0.00 39.64 39.28 2i2p n ILE 71 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2i2p h SER 72 N 0.00 0.00 0.10 4.38 0.02 -1.99 -1.58 113.55 114.47 2i2p h SER 72 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2i2p h SER 72 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2i2p h SER 72 CO 0.00 0.00 -0.05 1.23 -1.14 0.00 0.00 176.83 176.87 2i2p h GLY 73 N 0.00 -0.13 0.00 -3.77 0.00 -1.47 -1.70 103.07 96.00 2i2p h GLY 73 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2i2p h GLY 73 CO -0.00 -0.05 -0.13 1.46 0.00 0.00 0.00 176.54 177.82 2i2p h GLN 74 N -0.88 -0.16 -0.93 4.80 4.20 0.11 0.96 115.11 123.21 2i2p h GLN 74 Ca -0.01 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2i2p h GLN 74 Cb 0.56 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 2i2p h GLN 74 CO 0.02 -0.11 0.59 0.00 -0.67 0.00 0.00 178.83 178.66 2i2p h ALA 75 N -1.24 1.28 -0.30 3.87 0.00 -1.72 -0.91 119.26 120.24 2i2p h ALA 75 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2i2p h ALA 75 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2i2p h ALA 75 CO -0.09 0.35 0.11 0.78 0.00 0.00 0.00 179.25 180.41 2i2p h GLY 76 N 1.07 0.44 0.89 0.00 0.00 -0.72 -2.38 103.07 102.36 2i2p h GLY 76 Ca 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2i2p h GLY 76 CO -0.17 0.19 0.08 0.00 0.00 0.00 0.00 176.54 176.64 2i2p h ALA 77 N 1.71 0.32 -1.00 3.60 0.00 0.24 -2.71 119.26 121.41 2i2p h ALA 77 Ca 0.10 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.05 2i2p h ALA 77 Cb 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 2i2p h ALA 77 CO -0.01 -0.06 0.62 0.82 0.00 0.00 0.00 179.25 180.62 2i2p h ILE 78 N 0.23 0.76 0.04 0.00 2.04 -1.09 -1.68 117.51 117.82 2i2p h ILE 78 Ca 0.08 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2i2p h ILE 78 Cb 0.23 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2i2p h ILE 78 CO -0.00 0.15 -0.22 -0.09 0.00 0.00 0.00 178.15 177.99 2i2p h ARG 79 N 0.82 -0.29 0.00 2.37 2.43 -1.30 1.57 114.38 119.98 2i2p h ARG 79 Ca 0.56 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 2i2p h ARG 79 Cb 0.80 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2i2p h ARG 79 CO -0.35 -0.19 0.04 1.58 -1.51 0.00 0.00 179.97 179.54 2i2p n HIS 80 N -3.68 0.24 -0.12 2.20 -0.00 -0.95 -2.51 115.22 110.40 2i2p n HIS 80 Ca -0.03 0.13 -0.25 0.00 0.46 0.00 0.00 57.72 58.02 2i2p n HIS 80 Cb 0.17 -0.67 -0.10 0.00 -0.12 0.00 0.00 29.99 29.27 2i2p n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2i2p n GLY 81 N -1.40 -0.62 0.28 1.57 0.00 0.57 -4.28 105.19 101.31 2i2p n GLY 81 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2i2p n GLY 81 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2i2p h ILE 82 N -1.00 0.48 -0.04 -0.61 2.04 0.24 0.31 117.51 118.94 2i2p h ILE 82 Ca -0.52 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2i2p h ILE 82 Cb 1.44 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2i2p h ILE 82 CO -0.32 0.05 -0.07 0.00 0.00 0.00 0.00 178.15 177.81 2i2p h THR 83 N 0.28 0.00 0.00 -0.27 1.03 -1.75 0.16 112.91 112.36 2i2p h THR 83 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.85 2i2p h THR 83 Cb 0.79 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 2i2p h THR 83 CO -0.53 0.00 0.00 0.08 -0.01 0.00 0.00 175.52 175.06 2i2p h ARG 84 N -0.06 0.00 -0.34 0.00 0.11 -1.60 -0.95 114.38 111.54 2i2p h ARG 84 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2i2p h ARG 84 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2i2p h ARG 84 CO -0.07 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.00 2i2p n ALA 85 N -2.04 2.54 0.11 0.08 0.00 0.11 -3.17 120.51 118.14 2i2p n ALA 85 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.25 2i2p n ALA 85 Cb 0.09 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.57 2i2p n ALA 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2p n LEU 86 N -0.13 1.63 0.17 0.00 7.94 -0.36 -4.63 117.00 121.61 2i2p n LEU 86 Ca 0.03 -1.27 0.01 0.00 -1.11 0.00 0.00 56.01 53.67 2i2p n LEU 86 Cb 0.16 -0.02 0.28 0.00 0.53 0.00 0.00 43.42 44.37 2i2p n LEU 86 CO 0.03 0.37 0.63 0.24 -1.11 0.00 0.00 177.39 177.55 2i2p h MET 87 N 0.84 0.00 0.00 1.96 2.86 -1.71 -2.07 114.93 116.80 2i2p h MET 87 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2i2p h MET 87 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2i2p h MET 87 CO 0.00 0.48 0.00 0.39 1.06 0.00 0.00 176.91 178.84 2i2p n GLU 88 N -3.95 0.04 -0.00 1.72 4.71 -1.26 0.25 120.64 122.15 2i2p n GLU 88 Ca -0.02 0.39 0.08 0.00 -0.01 0.00 0.00 57.16 57.61 2i2p n GLU 88 Cb 0.50 -1.60 -0.11 0.00 -1.01 0.00 0.00 31.44 29.21 2i2p n GLU 88 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2i2p n TYR 89 N -1.69 0.00 0.00 -0.32 9.36 -0.81 -4.87 117.16 118.83 2i2p n TYR 89 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 2i2p n TYR 89 Cb 0.11 -0.21 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 2i2p n TYR 89 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2i2p n ASP 90 N -1.77 0.00 0.00 2.98 4.64 0.46 -5.01 116.55 117.85 2i2p n ASP 90 Ca -0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2i2p n ASP 90 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.44 2i2p n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2i2p n GLU 91 N 0.00 0.00 0.00 -0.67 1.02 0.14 -0.46 120.64 120.67 2i2p n GLU 91 Ca 0.00 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 2i2p n GLU 91 Cb 0.00 -1.51 0.04 0.00 -0.02 0.00 0.00 31.44 29.95 2i2p n GLU 91 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2i2p n SER 92 N -1.15 1.97 -0.45 1.62 7.64 -1.26 -4.35 113.62 117.63 2i2p n SER 92 Ca 0.00 -1.48 0.13 0.00 1.01 0.00 0.00 58.87 58.53 2i2p n SER 92 Cb 0.01 0.13 0.34 0.00 -1.01 0.00 0.00 64.21 63.68 2i2p n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i2p n LEU 93 N 0.53 1.57 -0.01 -3.43 -0.00 0.39 -4.11 117.00 111.94 2i2p n LEU 93 Ca 0.07 -0.50 0.06 0.00 -0.00 0.00 0.00 56.01 55.64 2i2p n LEU 93 Cb 0.33 -0.05 0.45 0.00 -0.00 0.00 0.00 43.42 44.15 2i2p n LEU 93 CO 0.11 0.28 1.16 -0.09 -0.00 0.00 0.00 177.39 178.85 2i2p h ARG 94 N 2.21 0.49 -1.56 1.47 2.43 -1.76 -2.20 114.38 115.46 2i2p h ARG 94 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2i2p h ARG 94 Cb 0.60 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2i2p h ARG 94 CO 0.00 0.33 0.00 0.45 -1.51 0.00 0.00 179.97 179.24 2i2p n SER 95 N -4.48 1.57 -0.25 -3.80 2.88 -1.26 -1.48 113.62 106.80 2i2p n SER 95 Ca 0.04 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 2i2p n SER 95 Cb 0.12 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2i2p n SER 95 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2i2p n GLU 96 N 0.85 0.00 0.00 -1.46 1.02 -0.83 -4.87 120.64 115.35 2i2p n GLU 96 Ca 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 2i2p n GLU 96 Cb 0.24 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 2i2p n GLU 96 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2i2p n LEU 97 N 0.00 0.38 0.21 -4.62 7.99 -0.55 -4.72 117.00 115.69 2i2p n LEU 97 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.10 2i2p n LEU 97 Cb 0.58 0.00 0.64 0.00 -0.11 0.00 0.00 43.42 44.54 2i2p n LEU 97 CO 0.00 0.01 1.09 -0.09 -1.51 0.00 0.00 177.39 176.89 2i2p h ARG 98 N 0.00 0.01 0.00 3.23 2.43 -1.91 0.47 114.38 118.60 2i2p h ARG 98 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2i2p h ARG 98 Cb 0.87 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2i2p h ARG 98 CO 0.00 0.01 0.12 1.17 -1.51 0.00 0.00 179.97 179.76 2i2p n LYS 99 N -4.51 0.11 -1.52 0.20 0.00 -1.26 -0.39 118.16 110.78 2i2p n LYS 99 Ca -0.01 0.60 -0.02 0.00 0.00 0.00 0.00 58.31 58.87 2i2p n LYS 99 Cb 0.17 -1.99 0.09 0.00 0.00 0.00 0.00 35.03 33.31 2i2p n LYS 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2p n ALA 100 N -1.67 3.46 -2.84 3.14 0.00 0.15 -5.04 120.51 117.71 2i2p n ALA 100 Ca -0.01 -3.08 -0.03 0.00 0.00 0.00 0.00 53.44 50.32 2i2p n ALA 100 Cb 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2i2p n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 101 N -0.53 -3.00 1.03 0.00 0.00 0.47 -5.02 105.19 98.14 2i2p n GLY 101 Ca 0.19 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2i2p n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i2p n PHE 102 N 0.59 -0.40 -0.34 1.61 3.01 -1.24 -4.86 117.46 115.83 2i2p n PHE 102 Ca 0.02 0.00 0.29 0.00 1.01 0.00 0.00 57.45 58.77 2i2p n PHE 102 Cb 0.18 0.26 0.61 0.00 -0.01 0.00 0.00 39.48 40.52 2i2p n PHE 102 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2i2p h VAL 103 N 0.00 0.42 -2.98 -4.37 -1.51 -1.82 -3.39 116.25 102.61 2i2p h VAL 103 Ca 0.00 -0.08 -0.57 0.00 -1.23 0.00 0.00 66.70 64.83 2i2p h VAL 103 Cb 0.00 0.18 -0.04 0.00 -2.13 0.00 0.00 31.29 29.30 2i2p h VAL 103 CO 0.00 0.04 1.05 0.42 -1.23 0.00 0.00 177.57 177.85 2i2p s THR 104 N -5.28 3.93 0.43 7.19 -4.23 -1.26 -4.98 115.64 111.44 2i2p s THR 104 Ca -0.07 1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 61.22 2i2p s THR 104 Cb 0.25 -3.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.05 2i2p s THR 104 CO 0.81 -0.40 1.41 -0.60 -0.54 0.00 0.00 174.62 175.29 2i2p s ARG 105 N 4.43 3.81 -1.03 3.99 3.00 -1.26 -4.83 118.95 127.06 2i2p s ARG 105 Ca 0.63 2.39 -0.24 0.00 -1.00 0.00 0.00 55.73 57.51 2i2p s ARG 105 Cb -0.20 -2.73 -0.08 0.00 0.00 0.00 0.00 34.95 31.94 2i2p s ARG 105 CO 0.26 -0.70 1.98 0.34 0.00 0.00 0.00 175.30 177.18 2i2p s ASP 106 N -0.50 4.92 0.49 -2.12 3.68 -1.26 -4.75 116.67 117.13 2i2p s ASP 106 Ca 0.59 -1.09 0.25 0.00 2.13 0.00 0.00 52.55 54.43 2i2p s ASP 106 Cb -0.43 -2.57 1.35 0.00 -1.45 0.00 0.00 42.92 39.81 2i2p s ASP 106 CO 0.56 -3.08 1.73 0.00 0.13 0.00 0.00 175.17 174.50 2i2p h ALA 107 N 10.70 1.19 -2.24 3.66 0.00 -2.01 -3.42 119.26 127.14 2i2p h ALA 107 Ca 0.14 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.49 2i2p h ALA 107 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2i2p h ALA 107 CO 1.19 -0.19 0.73 -0.98 0.00 0.00 0.00 179.25 180.01 2i2p s ARG 108 N -3.75 4.33 0.18 0.00 1.70 -1.26 -5.01 118.95 115.13 2i2p s ARG 108 Ca -0.03 1.58 0.04 0.00 -0.47 0.00 0.00 55.73 56.85 2i2p s ARG 108 Cb 0.07 -3.61 -0.01 0.00 -0.57 0.00 0.00 34.95 30.83 2i2p s ARG 108 CO 0.23 -0.50 0.13 1.04 -1.08 0.00 0.00 175.30 175.12 2i2p n GLN 109 N 5.62 0.29 -0.34 3.89 1.13 -1.26 -4.69 117.38 122.02 2i2p n GLN 109 Ca 0.11 -1.73 -0.29 0.00 -1.94 0.00 0.00 57.00 53.16 2i2p n GLN 109 Cb 0.46 1.34 0.28 0.00 0.11 0.00 0.00 30.24 32.43 2i2p n GLN 109 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2i2p n VAL 110 N -0.35 0.00 -4.31 5.09 0.31 -1.26 -5.03 118.33 112.78 2i2p n VAL 110 Ca 0.03 -0.23 -0.26 0.00 -0.01 0.00 0.00 64.34 63.87 2i2p n VAL 110 Cb 0.31 -0.97 -0.17 0.00 -0.91 0.00 0.00 33.84 32.11 2i2p n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i2p s GLU 111 N -4.69 1.76 -0.03 5.55 2.56 -1.26 -5.10 118.70 117.49 2i2p s GLU 111 Ca 0.67 -0.39 -0.35 0.00 0.00 0.00 0.00 54.97 54.90 2i2p s GLU 111 Cb -0.18 -1.58 -0.13 0.00 2.00 0.00 0.00 34.13 34.24 2i2p s GLU 111 CO 0.60 -0.10 1.75 2.89 -0.56 0.00 0.00 175.26 179.84 2i2p n ARG 112 N 4.29 1.98 -2.07 4.30 1.85 -1.26 -4.89 116.66 120.87 2i2p n ARG 112 Ca -0.19 0.72 -0.42 0.00 -1.00 0.00 0.00 57.85 56.97 2i2p n ARG 112 Cb 0.51 -2.52 -0.03 0.00 -1.05 0.00 0.00 32.46 29.38 2i2p n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2i2p s LYS 113 N 2.91 4.24 -0.07 2.89 2.20 -1.26 -4.72 119.74 125.93 2i2p s LYS 113 Ca 0.89 2.15 -0.22 0.00 -0.36 0.00 0.00 55.97 58.43 2i2p s LYS 113 Cb -0.75 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 31.93 2i2p s LYS 113 CO 0.49 -0.67 0.66 0.15 -0.36 0.00 0.00 175.35 175.62 2i2p s LYS 114 N 2.59 4.41 -0.67 4.03 1.02 -1.26 -4.88 119.74 124.99 2i2p s LYS 114 Ca 0.69 0.80 -0.26 0.00 0.02 0.00 0.00 55.97 57.22 2i2p s LYS 114 Cb -0.36 -3.43 -0.10 0.00 -0.52 0.00 0.00 37.83 33.42 2i2p s LYS 114 CO 0.29 0.11 2.34 0.54 -0.92 0.00 0.00 175.35 177.72 2i2p s VAL 115 N 0.67 3.06 0.00 3.17 0.11 -1.26 -1.52 120.40 124.62 2i2p s VAL 115 Ca 0.35 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2i2p s VAL 115 Cb -0.17 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2i2p s VAL 115 CO 0.17 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2i2p n GLY 116 N 6.43 0.55 3.36 6.54 0.00 -1.26 -5.14 105.19 115.68 2i2p n GLY 116 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 2i2p n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2p s LEU 117 N 0.00 2.25 0.39 0.99 1.43 -0.58 -4.87 118.68 118.30 2i2p s LEU 117 Ca 0.00 -0.42 0.17 0.00 -1.03 0.00 0.00 54.13 52.85 2i2p s LEU 117 Cb 0.00 -1.39 1.08 0.00 0.03 0.00 0.00 46.19 45.90 2i2p s LEU 117 CO 0.00 0.31 1.77 0.03 0.23 0.00 0.00 176.35 178.69 2i2p h ARG 118 N 5.31 0.40 -0.18 1.70 2.47 -1.02 -3.29 114.38 119.78 2i2p h ARG 118 Ca -0.45 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.01 2i2p h ARG 118 Cb 1.13 -0.09 -0.19 0.00 -1.65 0.00 0.00 29.97 29.17 2i2p h ARG 118 CO 0.47 0.27 -0.49 1.17 0.56 0.00 0.00 179.97 181.95 2i2p n LYS 119 N -4.65 1.18 -1.58 0.04 4.81 -1.20 -5.00 118.16 111.76 2i2p n LYS 119 Ca 0.25 -2.06 -0.20 0.00 -0.87 0.00 0.00 58.31 55.43 2i2p n LYS 119 Cb 0.86 -0.30 -0.09 0.00 0.02 0.00 0.00 35.03 35.53 2i2p n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2p n ALA 120 N -0.45 -0.31 0.14 3.14 0.00 -1.24 -4.41 120.51 117.38 2i2p n ALA 120 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2i2p n ALA 120 Cb 0.84 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2i2p n ALA 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i2p n ARG 121 N -2.24 0.00 -2.93 0.00 3.00 -1.26 -4.74 116.66 108.48 2i2p n ARG 121 Ca -0.20 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.26 2i2p n ARG 121 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.08 2i2p n ARG 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2i2p s ARG 122 N -2.00 4.59 0.10 -0.14 3.52 -1.26 -4.96 118.95 118.80 2i2p s ARG 122 Ca 0.00 1.20 0.06 0.00 -0.13 0.00 0.00 55.73 56.87 2i2p s ARG 122 Cb 0.00 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.17 2i2p s ARG 122 CO 0.00 0.52 -0.16 -0.98 -0.81 0.00 0.00 175.30 173.87 2i2p s ARG 123 N -1.31 0.99 0.85 5.12 1.70 -1.26 -0.37 118.95 124.66 2i2p s ARG 123 Ca 0.39 -1.12 -0.15 0.00 -0.47 0.00 0.00 55.73 54.38 2i2p s ARG 123 Cb -0.23 -1.04 -0.02 0.00 -0.57 0.00 0.00 34.95 33.10 2i2p s ARG 123 CO 0.27 0.22 0.35 -0.35 -1.08 0.00 0.00 175.30 174.71 2i2p n PRO 124 N 0.95 -0.00 -1.67 3.89 -0.04 -1.26 -4.92 135.00 131.94 2i2p n PRO 124 Ca -0.19 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 2i2p n PRO 124 Cb 0.55 -1.76 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 2i2p n PRO 124 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2i2p s GLN 125 N -3.07 2.84 -0.41 0.54 -0.21 -1.26 -5.05 119.66 113.04 2i2p s GLN 125 Ca 0.59 0.76 0.05 0.00 0.02 0.00 0.00 55.36 56.78 2i2p s GLN 125 Cb -0.27 -1.99 0.20 0.00 1.00 0.00 0.00 33.01 31.94 2i2p s GLN 125 CO 0.65 -1.12 0.41 1.19 -2.12 0.00 0.00 175.29 174.30 2i2p n PHE 126 N -3.11 -0.60 0.18 0.91 3.01 -1.26 -5.01 117.46 111.58 2i2p n PHE 126 Ca 0.07 -3.42 -0.11 0.00 1.01 0.00 0.00 57.45 55.00 2i2p n PHE 126 Cb 0.55 0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.99 2i2p n PHE 126 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2i2p h SER 127 N 5.06 -0.79 0.00 4.37 0.87 -2.05 -2.14 113.55 118.87 2i2p h SER 127 Ca 0.20 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2i2p h SER 127 Cb 0.89 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2i2p h SER 127 CO 0.41 -0.39 0.00 0.29 -0.53 0.00 0.00 176.83 176.61 2i2p n LYS 128 N -4.13 0.16 0.00 2.24 5.02 -1.26 -5.38 118.16 114.81 2i2p n LYS 128 Ca -0.07 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.27 2i2p n LYS 128 Cb 0.27 -1.04 0.33 0.00 -0.02 0.00 0.00 35.03 34.57 2i2p n LYS 128 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42