#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t s GLU 2 N 0.00 1.95 -0.23 2.12 8.01 -1.26 -0.08 118.70 129.21 2i2t s GLU 2 Ca 0.00 -1.77 0.00 0.00 0.01 0.00 0.00 54.97 53.21 2i2t s GLU 2 Cb 0.00 -1.86 0.06 0.00 -4.31 0.00 0.00 34.13 28.02 2i2t s GLU 2 CO 0.00 0.20 -0.05 -0.51 0.01 0.00 0.00 175.26 174.91 2i2t s LEU 3 N -3.64 2.43 -0.61 1.80 2.01 -1.26 -4.74 118.68 114.67 2i2t s LEU 3 Ca 0.33 -1.14 -0.30 0.00 0.01 0.00 0.00 54.13 53.04 2i2t s LEU 3 Cb -0.01 -1.12 -0.13 0.00 0.01 0.00 0.00 46.19 44.94 2i2t s LEU 3 CO 0.18 -0.24 2.45 0.52 1.01 0.00 0.00 176.35 180.27 2i2t n VAL 4 N 4.71 0.01 -1.53 -1.59 0.31 -1.26 -3.07 118.33 115.91 2i2t n VAL 4 Ca -0.12 -0.43 -0.31 0.00 -0.01 0.00 0.00 64.34 63.47 2i2t n VAL 4 Cb 0.44 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 2i2t n VAL 4 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i2t n LEU 5 N 12.84 1.07 0.00 7.52 4.77 -1.26 -4.71 117.00 137.23 2i2t n LEU 5 Ca 0.47 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2i2t n LEU 5 Cb 0.32 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2i2t n LEU 5 CO 0.79 -1.52 0.00 1.17 -1.33 0.00 0.00 177.39 176.50 2i2t n LYS 6 N 8.30 0.00 0.08 3.23 4.81 0.13 -0.72 118.16 133.99 2i2t n LYS 6 Ca 0.52 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.97 2i2t n LYS 6 Cb 0.32 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.33 2i2t n LYS 6 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2i2t h ASP 7 N 0.00 0.00 -0.99 3.14 3.04 -1.89 -3.34 116.42 116.37 2i2t h ASP 7 Ca 0.00 0.00 0.29 0.00 -3.24 0.00 0.00 57.03 54.08 2i2t h ASP 7 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 2i2t h ASP 7 CO 0.00 0.55 0.81 0.00 -2.04 0.00 0.00 179.24 178.56 2i2t h ALA 8 N 1.45 2.88 -5.41 4.15 0.00 -1.28 -3.46 119.26 117.59 2i2t h ALA 8 Ca -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2i2t h ALA 8 Cb 1.50 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2i2t h ALA 8 CO 0.06 -1.32 -0.61 0.94 0.00 0.00 0.00 179.25 178.31 2i2t n GLN 9 N -3.95 -2.41 0.00 0.00 -0.06 -0.78 -4.95 117.38 105.23 2i2t n GLN 9 Ca 0.21 2.09 0.00 0.00 -2.00 0.00 0.00 57.00 57.31 2i2t n GLN 9 Cb 1.14 -5.26 0.00 0.00 -4.06 0.00 0.00 30.24 22.06 2i2t n GLN 9 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2i2t n SER 10 N -0.20 0.00 -1.40 1.69 7.64 -1.26 -4.86 113.62 115.23 2i2t n SER 10 Ca 0.09 -0.79 0.19 0.00 1.01 0.00 0.00 58.87 59.37 2i2t n SER 10 Cb 0.45 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 2i2t n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i2t n ALA 11 N 0.00 -3.70 0.00 -0.43 0.00 -1.21 -4.74 120.51 110.42 2i2t n ALA 11 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2i2t n ALA 11 Cb 0.20 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2i2t n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i2t n LEU 12 N -4.12 0.00 -2.27 0.00 7.99 -1.17 -4.27 117.00 113.16 2i2t n LEU 12 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2i2t n LEU 12 Cb 0.66 0.02 -0.00 0.00 -0.11 0.00 0.00 43.42 43.99 2i2t n LEU 12 CO 0.01 -0.08 -0.33 0.41 -1.51 0.00 0.00 177.39 175.89 2i2t n THR 13 N -1.67 -8.52 0.00 -5.08 -1.04 -1.21 -4.87 114.28 91.89 2i2t n THR 13 Ca 0.00 1.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.24 2i2t n THR 13 Cb 0.00 -5.87 0.00 0.00 -1.82 0.00 0.00 70.33 62.64 2i2t n THR 13 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2i2t n VAL 14 N 0.49 0.00 -3.87 12.58 0.24 0.88 -4.96 118.33 123.69 2i2t n VAL 14 Ca -0.02 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.12 2i2t n VAL 14 Cb 0.03 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.23 2i2t n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2i2t s SER 15 N 0.62 0.40 0.00 -1.34 0.15 -1.26 -4.94 113.70 107.33 2i2t s SER 15 Ca 0.00 -0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.74 2i2t s SER 15 Cb 0.00 -0.19 0.50 0.00 -1.71 0.00 0.00 66.02 64.63 2i2t s SER 15 CO 0.00 -0.12 1.23 1.21 1.20 0.00 0.00 173.24 176.76 2i2t n GLU 16 N 4.23 0.13 -0.08 5.44 2.13 -1.26 -1.91 120.64 129.31 2i2t n GLU 16 Ca -0.25 0.21 -0.08 0.00 0.66 0.00 0.00 57.16 57.69 2i2t n GLU 16 Cb 0.50 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.68 2i2t n GLU 16 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2i2t n THR 17 N -1.31 1.41 -0.16 6.31 -2.24 -1.26 -2.74 114.28 114.28 2i2t n THR 17 Ca 0.05 0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.95 2i2t n THR 17 Cb 0.09 -2.30 0.05 0.00 -2.10 0.00 0.00 70.33 66.06 2i2t n THR 17 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2i2t h THR 18 N -0.94 0.94 -0.26 4.28 1.35 -1.86 -1.46 112.91 114.95 2i2t h THR 18 Ca 0.00 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.67 2i2t h THR 18 Cb 0.91 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 2i2t h THR 18 CO 0.00 0.09 -0.01 0.49 -0.25 0.00 0.00 175.52 175.84 2i2t n PHE 19 N -4.91 0.91 -2.23 4.73 3.72 -0.80 -3.91 117.46 114.97 2i2t n PHE 19 Ca 0.04 -1.01 0.01 0.00 -0.05 0.00 0.00 57.45 56.44 2i2t n PHE 19 Cb 0.14 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 2i2t n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i2t n GLY 20 N -0.69 0.77 3.77 1.37 0.00 -1.03 -4.74 105.19 104.63 2i2t n GLY 20 Ca 0.23 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2i2t n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i2t s ARG 21 N 0.00 4.07 0.63 1.61 6.06 -0.58 -4.55 118.95 126.19 2i2t s ARG 21 Ca 0.16 0.08 -0.17 0.00 -2.50 0.00 0.00 55.73 53.29 2i2t s ARG 21 Cb 0.18 -3.36 -0.02 0.00 0.06 0.00 0.00 34.95 31.82 2i2t s ARG 21 CO -0.08 0.39 1.17 0.16 -2.50 0.00 0.00 175.30 174.44 2i2t s ASP 22 N -0.00 5.07 0.73 -2.12 1.47 -1.26 -4.64 116.67 115.92 2i2t s ASP 22 Ca 0.17 2.24 -0.16 0.00 1.18 0.00 0.00 52.55 55.98 2i2t s ASP 22 Cb -0.13 -2.58 0.02 0.00 -0.34 0.00 0.00 42.92 39.89 2i2t s ASP 22 CO 0.05 -1.67 1.10 0.33 0.68 0.00 0.00 175.17 175.66 2i2t n PHE 23 N -1.98 1.10 -3.18 2.11 7.35 -1.26 -4.73 117.46 116.87 2i2t n PHE 23 Ca 0.12 0.40 -0.21 0.00 -0.76 0.00 0.00 57.45 57.01 2i2t n PHE 23 Cb 0.51 -2.13 -0.05 0.00 0.35 0.00 0.00 39.48 38.16 2i2t n PHE 23 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2i2t n ASN 24 N -2.16 1.01 -0.33 -2.13 4.05 -1.26 -4.99 115.26 109.45 2i2t n ASN 24 Ca 0.14 -2.98 0.30 0.00 0.45 0.00 0.00 54.58 52.49 2i2t n ASN 24 Cb 0.49 -0.62 0.52 0.00 1.23 0.00 0.00 39.78 41.40 2i2t n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2i2t n GLU 25 N 0.62 -0.04 -0.06 1.20 2.13 -1.26 0.14 120.64 123.37 2i2t n GLU 25 Ca 0.24 1.09 -0.12 0.00 0.66 0.00 0.00 57.16 59.04 2i2t n GLU 25 Cb 0.59 -2.05 -0.06 0.00 0.27 0.00 0.00 31.44 30.19 2i2t n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i2t h ALA 26 N 1.49 0.25 0.45 4.31 0.00 -1.94 -2.21 119.26 121.62 2i2t h ALA 26 Ca 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2i2t h ALA 26 Cb 2.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2i2t h ALA 26 CO -0.52 -0.01 -0.22 1.25 0.00 0.00 0.00 179.25 179.75 2i2t h LEU 27 N 0.08 -0.51 -0.49 0.00 5.85 -0.72 -3.13 115.31 116.39 2i2t h LEU 27 Ca 0.05 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2i2t h LEU 27 Cb 0.42 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2i2t h LEU 27 CO 0.01 -0.33 0.23 -0.37 -0.34 0.00 0.00 178.44 177.63 2i2t h VAL 28 N -0.64 0.92 0.00 1.05 -1.51 -1.55 -3.13 116.25 111.39 2i2t h VAL 28 Ca -0.06 -0.15 -0.50 0.00 -1.23 0.00 0.00 66.70 64.76 2i2t h VAL 28 Cb 0.48 0.44 0.02 0.00 -2.13 0.00 0.00 31.29 30.10 2i2t h VAL 28 CO 0.10 0.08 2.84 1.57 -1.23 0.00 0.00 177.57 180.93 2i2t n HIS 29 N -4.93 1.78 0.00 5.19 -0.00 -0.83 -1.53 115.22 114.90 2i2t n HIS 29 Ca 0.04 -2.22 0.00 0.00 -0.00 0.00 0.00 57.72 55.54 2i2t n HIS 29 Cb 0.15 -1.89 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 2i2t n HIS 29 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2i2t n GLN 30 N 4.63 0.00 -0.02 1.57 7.27 -1.19 -4.79 117.38 124.85 2i2t n GLN 30 Ca 0.52 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 57.43 2i2t n GLN 30 Cb 0.21 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.77 2i2t n GLN 30 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2i2t h VAL 31 N 0.00 1.38 -0.01 1.69 2.07 -1.27 0.46 116.25 120.58 2i2t h VAL 31 Ca 0.00 -1.85 -0.17 0.00 0.82 0.00 0.00 66.70 65.50 2i2t h VAL 31 Cb 0.00 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2i2t h VAL 31 CO 0.00 0.55 -0.77 -0.37 0.02 0.00 0.00 177.57 177.00 2i2t h VAL 32 N 0.08 1.51 -0.03 2.57 -1.51 -1.58 0.42 116.25 117.71 2i2t h VAL 32 Ca -0.04 -2.52 -0.15 0.00 -1.23 0.00 0.00 66.70 62.77 2i2t h VAL 32 Cb 1.16 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 32.67 2i2t h VAL 32 CO 0.10 0.73 -0.66 0.58 -1.23 0.00 0.00 177.57 177.09 2i2t h VAL 33 N 0.05 1.43 0.16 7.19 2.07 -1.72 0.41 116.25 125.85 2i2t h VAL 33 Ca -0.02 -2.16 -0.28 0.00 0.82 0.00 0.00 66.70 65.07 2i2t h VAL 33 Cb 1.35 2.14 0.03 0.00 -1.52 0.00 0.00 31.29 33.29 2i2t h VAL 33 CO 0.11 0.63 -1.18 0.00 0.02 0.00 0.00 177.57 177.14 2i2t h ALA 34 N 1.23 -0.07 -0.64 1.67 0.00 0.17 -2.44 119.26 119.18 2i2t h ALA 34 Ca -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 2i2t h ALA 34 Cb 1.17 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2i2t h ALA 34 CO 0.09 0.59 0.21 -0.92 0.00 0.00 0.00 179.25 179.23 2i2t h TYR 35 N 0.07 0.98 -0.48 0.00 5.03 -0.05 -0.50 116.97 122.03 2i2t h TYR 35 Ca -0.19 -0.08 0.05 0.00 2.58 0.00 0.00 58.73 61.09 2i2t h TYR 35 Cb 1.90 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 39.84 2i2t h TYR 35 CO 0.14 0.78 0.21 0.00 -1.32 0.00 0.00 178.16 177.96 2i2t h ALA 36 N 1.30 0.60 -3.24 1.82 0.00 -0.15 -3.35 119.26 116.24 2i2t h ALA 36 Ca 0.21 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 2i2t h ALA 36 Cb 0.25 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.09 2i2t h ALA 36 CO -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.18 2i2t n ALA 37 N -2.36 -0.82 0.00 0.00 0.00 -0.19 -3.61 120.51 113.52 2i2t n ALA 37 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2i2t n ALA 37 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2i2t n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2t n GLY 38 N 1.09 0.76 0.13 0.00 0.00 -0.47 -4.17 105.19 102.53 2i2t n GLY 38 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2i2t n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t n ALA 39 N 0.00 1.73 -2.08 4.61 0.00 -1.24 -4.66 120.51 118.88 2i2t n ALA 39 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2i2t n ALA 39 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 2i2t n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i2t s ARG 40 N -3.30 4.23 -0.06 0.00 1.81 -1.26 -5.00 118.95 115.37 2i2t s ARG 40 Ca 0.05 2.14 -0.13 0.00 -1.72 0.00 0.00 55.73 56.07 2i2t s ARG 40 Cb 0.10 -3.66 -0.05 0.00 -0.45 0.00 0.00 34.95 30.88 2i2t s ARG 40 CO 0.42 -0.69 0.33 -1.14 -0.68 0.00 0.00 175.30 173.55 2i2t s GLN 41 N 2.81 3.88 0.00 3.54 0.74 -1.26 -4.66 119.66 124.72 2i2t s GLN 41 Ca 0.69 0.25 0.00 0.00 0.05 0.00 0.00 55.36 56.35 2i2t s GLN 41 Cb -0.35 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.51 2i2t s GLN 41 CO 0.29 0.62 0.00 0.41 -0.55 0.00 0.00 175.29 176.06 2i2t n GLY 42 N 2.16 -0.46 2.80 2.59 0.00 -1.25 -4.96 105.19 106.06 2i2t n GLY 42 Ca -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 2i2t n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i2t n THR 43 N 0.00 -9.35 -3.85 2.61 -2.24 -1.26 -4.82 114.28 95.37 2i2t n THR 43 Ca 0.00 1.76 -0.12 0.00 -2.27 0.00 0.00 64.05 63.42 2i2t n THR 43 Cb 0.00 -5.58 -0.12 0.00 -2.10 0.00 0.00 70.33 62.53 2i2t n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2i2t s ARG 44 N -0.93 0.18 0.00 -0.78 0.52 -1.26 -4.96 118.95 111.72 2i2t s ARG 44 Ca -0.11 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 2i2t s ARG 44 Cb 0.01 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.56 2i2t s ARG 44 CO 0.56 -0.03 0.00 0.00 0.02 0.00 0.00 175.30 175.86 2i2t n ALA 45 N 2.72 0.00 -1.17 2.13 0.00 -1.26 -4.16 120.51 118.76 2i2t n ALA 45 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2i2t n ALA 45 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2i2t n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i2t n GLN 46 N 0.00 -1.05 -3.90 0.00 1.13 -1.26 -4.35 117.38 107.95 2i2t n GLN 46 Ca 0.00 1.16 -0.35 0.00 -1.94 0.00 0.00 57.00 55.86 2i2t n GLN 46 Cb 0.00 -1.23 -0.14 0.00 0.11 0.00 0.00 30.24 28.98 2i2t n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2i2t s LYS 47 N -1.90 2.75 1.24 -1.09 1.02 -1.26 -4.59 119.74 115.91 2i2t s LYS 47 Ca 0.00 -1.05 -0.17 0.00 0.02 0.00 0.00 55.97 54.77 2i2t s LYS 47 Cb 0.00 -3.13 0.27 0.00 -0.52 0.00 0.00 37.83 34.45 2i2t s LYS 47 CO 0.00 -0.48 0.70 0.25 -0.92 0.00 0.00 175.35 174.89 2i2t n THR 48 N 4.69 0.00 0.31 2.17 -2.24 -1.26 -4.33 114.28 113.63 2i2t n THR 48 Ca -0.15 -0.31 0.20 0.00 -2.27 0.00 0.00 64.05 61.52 2i2t n THR 48 Cb 0.46 -0.87 0.97 0.00 -2.10 0.00 0.00 70.33 68.79 2i2t n THR 48 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2i2t h ARG 49 N -2.82 0.00 0.00 -0.78 0.11 -1.68 -0.50 114.38 108.71 2i2t h ARG 49 Ca -0.53 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.43 2i2t h ARG 49 Cb 1.30 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.36 2i2t h ARG 49 CO 0.39 0.00 -1.18 0.00 0.10 0.00 0.00 179.97 179.28 2i2t h ALA 50 N 2.01 0.63 0.43 0.08 0.00 -1.88 -3.38 119.26 117.15 2i2t h ALA 50 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2i2t h ALA 50 Cb 0.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2i2t h ALA 50 CO 0.00 0.68 -0.21 0.93 0.00 0.00 0.00 179.25 180.65 2i2t h GLU 51 N 0.00 -0.56 -4.67 0.00 4.39 -1.39 -3.46 114.58 108.89 2i2t h GLU 51 Ca -0.11 0.04 -0.51 0.00 0.34 0.00 0.00 59.36 59.12 2i2t h GLU 51 Cb 1.43 0.13 0.09 0.00 -0.10 0.00 0.00 28.75 30.30 2i2t h GLU 51 CO 0.04 -0.37 -0.47 0.28 -1.16 0.00 0.00 179.01 177.32 2i2t n VAL 52 N -5.05 1.36 -3.04 3.13 0.31 -0.93 -4.90 118.33 109.21 2i2t n VAL 52 Ca -0.07 -0.39 -0.38 0.00 -0.01 0.00 0.00 64.34 63.49 2i2t n VAL 52 Cb 0.23 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.10 2i2t n VAL 52 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2i2t s THR 53 N -0.88 4.47 0.00 2.52 -4.23 -1.26 -4.96 115.64 111.30 2i2t s THR 53 Ca 0.49 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 62.51 2i2t s THR 53 Cb -0.68 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.15 2i2t s THR 53 CO 0.45 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 2i2t n GLY 54 N 1.25 -0.81 3.06 3.99 0.00 -1.26 -5.07 105.19 106.35 2i2t n GLY 54 Ca -0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2i2t n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i2t s SER 55 N -4.00 1.26 0.00 1.61 0.15 -1.26 -5.01 113.70 106.45 2i2t s SER 55 Ca 0.00 -0.23 0.19 0.00 0.70 0.00 0.00 55.95 56.60 2i2t s SER 55 Cb 0.00 -0.13 0.85 0.00 -1.71 0.00 0.00 66.02 65.03 2i2t s SER 55 CO 0.00 0.10 1.59 0.61 1.20 0.00 0.00 173.24 176.74 2i2t n GLY 56 N 2.66 -1.06 3.42 9.45 0.00 -1.26 -4.80 105.19 113.60 2i2t n GLY 56 Ca -0.14 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2i2t n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2t n LYS 57 N -1.43 -2.52 -3.82 1.61 4.81 -1.26 -4.97 118.16 110.57 2i2t n LYS 57 Ca 0.06 -0.71 -0.28 0.00 -0.87 0.00 0.00 58.31 56.51 2i2t n LYS 57 Cb 0.19 -2.07 -0.16 0.00 0.02 0.00 0.00 35.03 33.01 2i2t n LYS 57 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2i2t s LYS 58 N -4.22 1.07 -0.44 1.64 3.01 -1.26 -4.70 119.74 114.85 2i2t s LYS 58 Ca 0.67 -0.57 -0.31 0.00 -1.01 0.00 0.00 55.97 54.74 2i2t s LYS 58 Cb -0.23 -2.17 -0.10 0.00 -1.01 0.00 0.00 37.83 34.31 2i2t s LYS 58 CO 0.66 -0.57 2.31 -2.30 0.51 0.00 0.00 175.35 175.96 2i2t n PRO 59 N 4.92 1.09 0.00 -1.68 -0.02 -1.26 -4.70 135.00 133.35 2i2t n PRO 59 Ca -0.10 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2i2t n PRO 59 Cb 0.47 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2i2t n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2i2t n TRP 60 N 11.80 0.00 0.00 6.00 5.03 -1.26 -4.60 117.44 134.40 2i2t n TRP 60 Ca 0.41 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.94 2i2t n TRP 60 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.60 2i2t n TRP 60 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2i2t n ARG 61 N 0.00 0.00 0.00 -0.99 5.12 -1.26 -4.91 116.66 114.62 2i2t n ARG 61 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2i2t n ARG 61 Cb 0.00 -0.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 2i2t n ARG 61 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2i2t n GLN 62 N -1.90 0.00 -2.84 5.56 7.27 -1.26 -4.42 117.38 119.79 2i2t n GLN 62 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2i2t n GLN 62 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 2i2t n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2i2t s LYS 63 N 0.00 4.37 0.00 3.69 1.02 -1.26 -3.96 119.74 123.60 2i2t s LYS 63 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.15 2i2t s LYS 63 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2i2t s LYS 63 CO 0.00 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 2i2t n GLY 64 N -0.01 2.97 3.68 -3.33 0.00 -1.26 -5.02 105.19 102.22 2i2t n GLY 64 Ca 0.04 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2i2t n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2i2t s THR 65 N 0.00 4.18 -0.98 2.61 -1.32 -1.25 -4.88 115.64 114.00 2i2t s THR 65 Ca 0.00 1.49 0.00 0.00 -1.21 0.00 0.00 61.69 61.97 2i2t s THR 65 Cb 0.00 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 2i2t s THR 65 CO 0.00 -0.05 0.61 0.61 -2.21 0.00 0.00 174.62 173.58 2i2t n GLY 66 N 3.51 -0.19 3.95 6.08 0.00 -1.26 -4.66 105.19 112.62 2i2t n GLY 66 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2i2t n GLY 66 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i2t s ARG 67 N -2.23 1.90 0.33 1.61 1.70 -1.26 -5.08 118.95 115.93 2i2t s ARG 67 Ca 0.00 -0.54 -0.14 0.00 -0.47 0.00 0.00 55.73 54.59 2i2t s ARG 67 Cb 0.00 -2.20 -0.08 0.00 -0.57 0.00 0.00 34.95 32.10 2i2t s ARG 67 CO 0.00 -1.39 0.72 0.00 -1.08 0.00 0.00 175.30 173.55 2i2t s ALA 68 N -3.25 3.35 0.00 7.88 0.00 -1.26 -4.98 121.76 123.50 2i2t s ALA 68 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2i2t s ALA 68 Cb -0.08 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2i2t s ALA 68 CO 0.45 0.29 0.00 0.54 0.00 0.00 0.00 175.76 177.04 2i2t n ARG 69 N -0.50 0.00 -1.38 0.00 5.12 -1.26 -4.91 116.66 113.73 2i2t n ARG 69 Ca 0.03 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2i2t n ARG 69 Cb 0.53 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.83 2i2t n ARG 69 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2i2t n SER 70 N 0.00 -3.70 0.01 0.55 2.88 -1.26 -4.63 113.62 107.47 2i2t n SER 70 Ca 0.00 0.46 -0.02 0.00 -1.33 0.00 0.00 58.87 57.98 2i2t n SER 70 Cb 0.00 -2.07 -0.01 0.00 -0.75 0.00 0.00 64.21 61.39 2i2t n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i2t n GLY 71 N 0.46 -0.08 0.00 0.46 0.00 -1.26 -4.61 105.19 100.16 2i2t n GLY 71 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2i2t n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i2t n SER 72 N -3.41 0.00 0.00 1.61 2.88 -1.26 -4.09 113.62 109.34 2i2t n SER 72 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2i2t n SER 72 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2i2t n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i2t n ILE 73 N 0.00 0.00 -2.57 2.46 3.06 -1.26 -4.18 119.36 116.87 2i2t n ILE 73 Ca 0.00 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.23 2i2t n ILE 73 Cb 0.00 0.00 0.05 0.00 0.54 0.00 0.00 39.64 40.23 2i2t n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2i2t n LYS 74 N 0.00 1.50 -2.92 9.51 5.02 -1.26 -4.82 118.16 125.19 2i2t n LYS 74 Ca 0.00 -3.18 -0.44 0.00 -2.02 0.00 0.00 58.31 52.67 2i2t n LYS 74 Cb 0.00 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 2i2t n LYS 74 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2i2t s SER 75 N -3.27 6.61 0.00 4.39 0.01 -1.26 -4.51 113.70 115.67 2i2t s SER 75 Ca 0.33 -2.00 0.00 0.00 1.31 0.00 0.00 55.95 55.58 2i2t s SER 75 Cb 0.35 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2i2t s SER 75 CO -0.07 -1.08 0.00 -2.65 0.41 0.00 0.00 173.24 169.85 2i2t n PRO 76 N 6.63 0.00 0.00 12.44 -0.02 -1.26 0.91 135.00 153.69 2i2t n PRO 76 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2i2t n PRO 76 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2i2t n PRO 76 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2i2t n ILE 77 N 0.00 0.00 -2.73 4.25 -5.35 -1.26 -4.71 119.36 109.56 2i2t n ILE 77 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 2i2t n ILE 77 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 2i2t n ILE 77 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 2i2t s TRP 78 N 0.00 3.83 0.00 4.28 0.23 0.26 -4.99 118.94 122.54 2i2t s TRP 78 Ca 0.00 1.81 0.00 0.00 -2.03 0.00 0.00 56.10 55.88 2i2t s TRP 78 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 33.47 30.45 2i2t s TRP 78 CO 0.00 0.23 0.14 -2.13 0.96 0.00 0.00 176.95 176.14 2i2t n ARG 79 N 2.69 0.00 -2.97 4.98 0.00 -1.26 -4.46 116.66 115.64 2i2t n ARG 79 Ca 0.02 0.14 -0.39 0.00 -0.00 0.00 0.00 57.85 57.61 2i2t n ARG 79 Cb 0.49 -0.29 -0.06 0.00 0.00 0.00 0.00 32.46 32.60 2i2t n ARG 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2i2t s SER 80 N -0.93 7.40 0.61 6.15 0.01 -1.26 -4.91 113.70 120.77 2i2t s SER 80 Ca 0.00 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.92 2i2t s SER 80 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2i2t s SER 80 CO 0.00 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2i2t n GLY 81 N 1.61 -4.05 0.00 3.44 0.00 -1.26 -4.64 105.19 100.28 2i2t n GLY 81 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2i2t n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 82 N -2.80 -0.88 2.43 -0.02 0.00 -1.26 -4.54 105.19 98.11 2i2t n GLY 82 Ca -0.01 0.33 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 2i2t n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2t n VAL 83 N 0.00-11.43 0.00 1.61 0.31 -1.26 -2.84 118.33 104.72 2i2t n VAL 83 Ca 0.00 2.35 0.00 0.00 -0.01 0.00 0.00 64.34 66.68 2i2t n VAL 83 Cb 0.00 -6.12 0.00 0.00 -0.91 0.00 0.00 33.84 26.81 2i2t n VAL 83 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2i2t n THR 84 N 1.41 0.00 -3.69 2.52 -1.04 -1.26 -3.85 114.28 108.37 2i2t n THR 84 Ca -0.35 1.48 -0.37 0.00 -2.04 0.00 0.00 64.05 62.77 2i2t n THR 84 Cb 0.54 -2.20 -0.09 0.00 -1.82 0.00 0.00 70.33 66.77 2i2t n THR 84 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2i2t s PHE 85 N -2.93 3.44 0.04 -1.42 0.08 -1.26 -4.77 117.98 111.15 2i2t s PHE 85 Ca 0.00 -2.71 -0.30 0.00 0.12 0.00 0.00 56.93 54.04 2i2t s PHE 85 Cb 0.00 -3.23 -0.08 0.00 -0.57 0.00 0.00 43.02 39.14 2i2t s PHE 85 CO 0.00 -0.84 1.70 0.00 -0.10 0.00 0.00 175.22 175.98 2i2t s ALA 86 N -0.16 3.66 0.88 5.36 0.00 -1.25 -4.99 121.76 125.26 2i2t s ALA 86 Ca 0.18 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 2i2t s ALA 86 Cb -0.19 -3.73 0.12 0.00 0.00 0.00 0.00 23.12 19.32 2i2t s ALA 86 CO -0.04 -1.25 1.10 0.00 0.00 0.00 0.00 175.76 175.57 2i2t s ALA 87 N 3.24 1.61 0.24 0.00 0.00 -1.26 -4.89 121.76 120.69 2i2t s ALA 87 Ca 0.76 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 2i2t s ALA 87 Cb -0.39 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2i2t s ALA 87 CO 0.33 -2.36 0.32 1.03 0.00 0.00 0.00 175.76 175.08 2i2t s ARG 88 N -4.83 1.43 0.17 0.00 0.52 -1.26 -4.36 118.95 110.63 2i2t s ARG 88 Ca 0.64 -1.48 -0.33 0.00 -0.52 0.00 0.00 55.73 54.04 2i2t s ARG 88 Cb -0.19 0.38 -0.15 0.00 0.52 0.00 0.00 34.95 35.51 2i2t s ARG 88 CO 0.57 -0.55 1.33 -2.30 0.02 0.00 0.00 175.30 174.38 2i2t n PRO 89 N -0.36 1.56 -4.62 3.54 -0.02 -1.26 -4.60 135.00 129.24 2i2t n PRO 89 Ca 0.00 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.76 2i2t n PRO 89 Cb 0.64 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.86 2i2t n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2i2t s GLN 90 N -0.03 1.99 -0.21 -0.52 -0.21 -1.26 -4.90 119.66 114.52 2i2t s GLN 90 Ca 0.75 -2.20 -0.04 0.00 0.02 0.00 0.00 55.36 53.89 2i2t s GLN 90 Cb -0.79 -1.26 0.07 0.00 1.00 0.00 0.00 33.01 32.04 2i2t s GLN 90 CO 0.48 -0.28 0.08 0.34 -2.12 0.00 0.00 175.29 173.79 2i2t s ASP 91 N -3.71 2.82 -0.94 5.90 2.15 -1.26 -3.96 116.67 117.66 2i2t s ASP 91 Ca 0.22 -0.85 -0.02 0.00 0.43 0.00 0.00 52.55 52.33 2i2t s ASP 91 Cb 0.05 -0.41 0.30 0.00 -0.30 0.00 0.00 42.92 42.56 2i2t s ASP 91 CO 0.11 -0.35 2.02 1.41 -0.17 0.00 0.00 175.17 178.18 2i2t n HIS 92 N 5.18 2.76 -3.48 -5.34 8.25 -1.26 -4.95 115.22 116.37 2i2t n HIS 92 Ca -0.07 -2.44 -0.42 0.00 -0.26 0.00 0.00 57.72 54.53 2i2t n HIS 92 Cb 0.47 -1.25 -0.10 0.00 1.12 0.00 0.00 29.99 30.22 2i2t n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2i2t s SER 93 N -1.00 6.06 0.51 0.41 0.01 -1.26 -1.37 113.70 117.07 2i2t s SER 93 Ca 0.47 -0.87 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 2i2t s SER 93 Cb 0.31 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 64.39 2i2t s SER 93 CO -0.25 -0.42 0.78 -1.10 0.41 0.00 0.00 173.24 172.65 2i2t s GLN 94 N 1.67 3.06 -0.12 12.44 -0.21 -1.26 -5.03 119.66 130.21 2i2t s GLN 94 Ca 0.05 -0.20 -0.07 0.00 0.02 0.00 0.00 55.36 55.16 2i2t s GLN 94 Cb -0.19 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.35 2i2t s GLN 94 CO 0.10 -0.44 0.13 -0.22 -2.12 0.00 0.00 175.29 172.73 2i2t h LYS 95 N 0.13 0.00 -4.53 2.91 3.64 -1.98 -3.50 116.57 113.25 2i2t h LYS 95 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2i2t h LYS 95 Cb 1.25 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2i2t h LYS 95 CO 0.59 0.22 -0.95 0.28 -2.27 0.00 0.00 179.45 177.33 2i2t n VAL 96 N -4.71 -9.89 -1.64 2.00 0.31 -1.26 -4.90 118.33 98.23 2i2t n VAL 96 Ca -0.04 1.70 -0.41 0.00 -0.01 0.00 0.00 64.34 65.58 2i2t n VAL 96 Cb 0.15 -6.00 0.01 0.00 -0.91 0.00 0.00 33.84 27.09 2i2t n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2i2t n ASN 97 N 0.86 1.73 0.28 4.52 5.03 -1.26 -4.76 115.26 121.67 2i2t n ASN 97 Ca -0.15 1.06 0.17 0.00 0.87 0.00 0.00 54.58 56.53 2i2t n ASN 97 Cb 0.23 -1.41 0.89 0.00 -1.02 0.00 0.00 39.78 38.47 2i2t n ASN 97 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2i2t h LYS 98 N 1.74 0.00 0.00 3.52 3.64 -2.01 0.26 116.57 123.72 2i2t h LYS 98 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2i2t h LYS 98 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2i2t h LYS 98 CO 0.58 0.00 -1.48 1.63 -2.27 0.00 0.00 179.45 177.91 2i2t n LYS 99 N -2.74 0.67 0.10 1.90 5.02 -1.26 -3.80 118.16 118.05 2i2t n LYS 99 Ca -0.02 -0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.17 2i2t n LYS 99 Cb 0.18 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2i2t n LYS 99 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2i2t h MET 100 N 0.00 0.00 0.17 1.97 2.86 -1.33 -2.62 114.93 115.97 2i2t h MET 100 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2i2t h MET 100 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2i2t h MET 100 CO 0.00 0.48 -0.08 -0.92 1.06 0.00 0.00 176.91 177.45 2i2t h TYR 101 N 0.00 -0.21 0.21 -0.22 3.20 -1.42 -2.31 116.97 116.22 2i2t h TYR 101 Ca -0.05 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.83 2i2t h TYR 101 Cb 1.47 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.78 2i2t h TYR 101 CO 0.00 0.21 -0.27 0.00 -1.64 0.00 0.00 178.16 176.46 2i2t h ARG 102 N -0.89 -0.51 -0.81 1.82 3.08 -1.68 0.14 114.38 115.53 2i2t h ARG 102 Ca -0.02 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.26 2i2t h ARG 102 Cb 0.51 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.54 2i2t h ARG 102 CO 0.04 -0.34 0.05 0.78 -1.07 0.00 0.00 179.97 179.43 2i2t h GLY 103 N -0.53 0.99 0.63 0.04 0.00 -1.57 0.44 103.07 103.07 2i2t h GLY 103 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2i2t h GLY 103 CO -0.10 -0.32 -0.38 0.00 0.00 0.00 0.00 176.54 175.74 2i2t h ALA 104 N 1.75 -1.20 0.00 3.60 0.00 -0.70 -0.88 119.26 121.84 2i2t h ALA 104 Ca 0.46 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 2i2t h ALA 104 Cb 0.85 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2i2t h ALA 104 CO -0.69 -1.16 2.29 1.28 0.00 0.00 0.00 179.25 180.97 2i2t n LEU 105 N -4.80 4.08 0.00 0.00 4.77 0.39 -1.27 117.00 120.17 2i2t n LEU 105 Ca -0.12 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 2i2t n LEU 105 Cb 0.39 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2i2t n LEU 105 CO 0.27 0.32 0.00 0.29 -1.33 0.00 0.00 177.39 176.94 2i2t n LYS 106 N 4.30 0.00 0.11 3.23 5.02 -1.06 -4.73 118.16 125.02 2i2t n LYS 106 Ca 0.37 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.62 2i2t n LYS 106 Cb 0.12 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.24 2i2t n LYS 106 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2i2t h SER 107 N 0.00 0.10 0.34 4.39 4.64 0.22 0.79 113.55 124.03 2i2t h SER 107 Ca 0.00 -0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 60.93 2i2t h SER 107 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2i2t h SER 107 CO 0.00 0.74 -1.68 -0.29 -0.87 0.00 0.00 176.83 174.73 2i2t h ILE 108 N 0.06 0.98 0.80 0.95 -0.00 -1.55 -3.27 117.51 115.48 2i2t h ILE 108 Ca -0.01 -2.64 -0.04 0.00 -0.00 0.00 0.00 64.86 62.17 2i2t h ILE 108 Cb 1.20 2.68 0.01 0.00 -0.00 0.00 0.00 36.82 40.71 2i2t h ILE 108 CO 0.09 0.81 -0.38 0.25 -0.00 0.00 0.00 178.15 178.92 2i2t h LEU 109 N 0.07 -0.91 -2.94 2.19 5.85 -1.70 -2.29 115.31 115.58 2i2t h LEU 109 Ca -0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2i2t h LEU 109 Cb 2.04 0.23 0.00 0.00 0.37 0.00 0.00 40.66 43.30 2i2t h LEU 109 CO 0.14 -0.54 0.00 -0.24 -0.34 0.00 0.00 178.44 177.46 2i2t n SER 110 N -5.48 3.53 0.00 1.25 2.88 0.27 -2.12 113.62 113.96 2i2t n SER 110 Ca -0.13 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 2i2t n SER 110 Cb 0.42 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2i2t n SER 110 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2i2t n GLU 111 N 1.38 0.01 0.13 -1.46 0.00 -0.91 -4.42 120.64 115.38 2i2t n GLU 111 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.19 2i2t n GLU 111 Cb 0.37 -0.78 0.39 0.00 0.00 0.00 0.00 31.44 31.43 2i2t n GLU 111 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2i2t h LEU 112 N 0.00 0.19 0.15 4.31 3.38 -0.96 -1.35 115.31 121.03 2i2t h LEU 112 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2i2t h LEU 112 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2i2t h LEU 112 CO 0.00 0.37 -0.07 0.58 0.09 0.00 0.00 178.44 179.41 2i2t h VAL 113 N 0.19 0.93 0.00 1.22 2.07 -1.82 0.64 116.25 119.48 2i2t h VAL 113 Ca 0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2i2t h VAL 113 Cb 0.40 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2i2t h VAL 113 CO 0.02 0.08 0.00 0.03 0.02 0.00 0.00 177.57 177.73 2i2t h ARG 114 N -0.37 0.00 -0.17 1.57 3.08 -1.59 0.11 114.38 117.02 2i2t h ARG 114 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2i2t h ARG 114 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2i2t h ARG 114 CO 0.03 0.00 -0.03 1.04 -1.07 0.00 0.00 179.97 179.94 2i2t n GLN 115 N -2.38 2.14 -1.08 0.04 1.13 -0.58 -4.95 117.38 111.71 2i2t n GLN 115 Ca -0.01 -2.82 -0.02 0.00 -1.94 0.00 0.00 57.00 52.21 2i2t n GLN 115 Cb 0.06 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 28.69 2i2t n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2i2t n ASP 116 N -0.95 -0.51 0.00 1.08 5.68 0.40 -4.67 116.55 117.59 2i2t n ASP 116 Ca 0.21 0.05 0.14 0.00 -0.50 0.00 0.00 54.79 54.69 2i2t n ASP 116 Cb 0.81 -0.90 0.73 0.00 -1.14 0.00 0.00 41.12 40.63 2i2t n ASP 116 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2i2t n ARG 117 N -1.15 0.52 -4.65 0.11 3.00 0.20 -4.67 116.66 110.03 2i2t n ARG 117 Ca -0.02 0.02 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2i2t n ARG 117 Cb 0.07 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 30.89 2i2t n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2i2t s LEU 118 N -2.42 2.87 -0.38 6.15 0.20 -1.19 0.61 118.68 124.52 2i2t s LEU 118 Ca 0.30 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.87 2i2t s LEU 118 Cb 0.19 -1.66 0.15 0.00 -0.43 0.00 0.00 46.19 44.43 2i2t s LEU 118 CO 0.39 0.16 0.24 0.27 -0.29 0.00 0.00 176.35 177.13 2i2t s ILE 119 N 0.37 0.39 0.34 6.68 -0.00 -1.01 -4.90 121.20 123.07 2i2t s ILE 119 Ca -0.09 -2.05 -0.28 0.00 -0.00 0.00 0.00 60.65 58.24 2i2t s ILE 119 Cb -0.15 -1.28 -0.10 0.00 -0.00 0.00 0.00 42.46 40.92 2i2t s ILE 119 CO 0.05 -1.03 1.26 0.54 -0.00 0.00 0.00 174.94 175.76 2i2t s VAL 120 N 0.74 2.88 0.00 8.37 0.11 -1.19 -4.42 120.40 126.88 2i2t s VAL 120 Ca 0.21 0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 60.09 2i2t s VAL 120 Cb -0.17 -3.53 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 2i2t s VAL 120 CO -0.04 0.18 0.02 0.68 -3.33 0.00 0.00 175.10 172.62 2i2t s VAL 121 N -1.20 0.07 -0.76 2.04 -7.23 -1.01 0.19 120.40 112.49 2i2t s VAL 121 Ca 0.50 -0.54 -0.26 0.00 -1.81 0.00 0.00 61.98 59.88 2i2t s VAL 121 Cb -0.37 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.35 2i2t s VAL 121 CO 0.49 -0.30 1.62 -1.83 -0.31 0.00 0.00 175.10 174.77 2i2t s GLU 122 N -0.90 2.94 0.12 4.82 -1.05 -1.26 -1.44 118.70 121.94 2i2t s GLU 122 Ca -0.10 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 2i2t s GLU 122 Cb -0.06 -4.58 0.00 0.00 -0.44 0.00 0.00 34.13 29.05 2i2t s GLU 122 CO -0.00 -2.57 0.00 1.63 0.95 0.00 0.00 175.26 175.27 2i2t n LYS 123 N 9.15 -2.94 -4.51 -4.83 5.02 -1.26 -4.96 118.16 113.84 2i2t n LYS 123 Ca 0.20 2.29 -0.25 0.00 -2.02 0.00 0.00 58.31 58.53 2i2t n LYS 123 Cb 0.50 -2.25 -0.17 0.00 -0.02 0.00 0.00 35.03 33.10 2i2t n LYS 123 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2i2t s PHE 124 N -0.44 1.44 -0.06 2.13 2.19 -1.26 -5.05 117.98 116.93 2i2t s PHE 124 Ca 0.00 -0.55 -0.31 0.00 0.33 0.00 0.00 56.93 56.40 2i2t s PHE 124 Cb 0.00 -1.07 0.12 0.00 -1.31 0.00 0.00 43.02 40.75 2i2t s PHE 124 CO 0.00 -0.30 1.10 0.45 1.83 0.00 0.00 175.22 178.30 2i2t s SER 125 N 0.77 -0.19 0.54 6.13 0.15 -1.26 -5.02 113.70 114.81 2i2t s SER 125 Ca -0.13 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.51 2i2t s SER 125 Cb -0.15 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.45 2i2t s SER 125 CO 0.02 -0.44 0.43 0.54 1.20 0.00 0.00 173.24 174.99 2i2t s VAL 126 N -2.73 1.77 -0.10 4.45 0.11 -1.26 -5.07 120.40 117.55 2i2t s VAL 126 Ca 0.09 -1.45 0.15 0.00 -2.93 0.00 0.00 61.98 57.85 2i2t s VAL 126 Cb -0.00 -2.21 -0.23 0.00 -1.53 0.00 0.00 36.38 32.41 2i2t s VAL 126 CO -0.05 0.00 0.47 -1.84 -3.33 0.00 0.00 175.10 170.35 2i2t n GLU 127 N -1.78 0.65 -3.46 1.54 0.00 -1.26 -4.91 120.64 111.42 2i2t n GLU 127 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 57.16 57.21 2i2t n GLU 127 Cb 0.64 -1.69 -0.03 0.00 0.00 0.00 0.00 31.44 30.35 2i2t n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2t s ALA 128 N -2.62 -1.69 -0.67 -1.84 0.00 -1.26 -5.08 121.76 108.60 2i2t s ALA 128 Ca -0.06 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 2i2t s ALA 128 Cb 0.08 0.53 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 2i2t s ALA 128 CO 0.83 -0.64 2.43 -2.30 0.00 0.00 0.00 175.76 176.08 2i2t n PRO 129 N -0.01 0.72 -3.14 0.00 -0.02 -1.26 -4.79 135.00 126.50 2i2t n PRO 129 Ca -0.16 -0.27 0.04 0.00 -2.02 0.00 0.00 63.50 61.09 2i2t n PRO 129 Cb 0.62 -3.18 -0.00 0.00 -0.02 0.00 0.00 33.50 30.92 2i2t n PRO 129 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2i2t s LYS 130 N 8.49 0.42 -1.14 -0.52 2.36 -1.26 -4.90 119.74 123.18 2i2t s LYS 130 Ca 1.03 0.37 -0.24 0.00 -2.55 0.00 0.00 55.97 54.57 2i2t s LYS 130 Cb -0.31 0.18 -0.15 0.00 -1.05 0.00 0.00 37.83 36.49 2i2t s LYS 130 CO 0.25 -0.77 2.01 0.95 1.55 0.00 0.00 175.35 179.34 2i2t s THR 131 N 2.82 3.33 0.00 3.43 -4.23 -1.26 -2.42 115.64 117.31 2i2t s THR 131 Ca 0.17 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2i2t s THR 131 Cb -0.07 -4.33 0.00 0.00 1.34 0.00 0.00 72.50 69.44 2i2t s THR 131 CO -0.24 -0.60 0.00 1.17 -0.54 0.00 0.00 174.62 174.41 2i2t n LYS 132 N 8.23 0.00 -0.06 3.99 4.81 -1.26 -4.88 118.16 128.99 2i2t n LYS 132 Ca 0.43 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.72 2i2t n LYS 132 Cb 0.47 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.46 2i2t n LYS 132 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2i2t h LEU 133 N 0.00 0.91 0.00 3.14 3.38 -1.85 -2.14 115.31 118.75 2i2t h LEU 133 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2i2t h LEU 133 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2i2t h LEU 133 CO 0.00 1.32 0.00 -0.11 0.09 0.00 0.00 178.44 179.74 2i2t n LEU 134 N -4.03 0.00 -0.07 1.67 7.94 -1.25 0.76 117.00 122.02 2i2t n LEU 134 Ca -0.06 0.23 -0.05 0.00 -1.11 0.00 0.00 56.01 55.02 2i2t n LEU 134 Cb 0.65 -0.23 -0.02 0.00 0.53 0.00 0.00 43.42 44.34 2i2t n LEU 134 CO 0.50 -0.11 -0.22 0.00 -1.11 0.00 0.00 177.39 176.45 2i2t h ALA 135 N 2.83 0.02 -0.92 1.96 0.00 -1.71 -3.11 119.26 118.33 2i2t h ALA 135 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2i2t h ALA 135 Cb 0.13 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2i2t h ALA 135 CO 0.00 0.35 0.60 -0.56 0.00 0.00 0.00 179.25 179.64 2i2t h GLN 136 N -1.00 1.02 -1.01 0.00 3.07 -1.12 0.47 115.11 116.55 2i2t h GLN 136 Ca -0.03 -0.06 0.25 0.00 0.09 0.00 0.00 58.65 58.90 2i2t h GLN 136 Cb 0.45 -0.23 -0.13 0.00 0.08 0.00 0.00 27.48 27.65 2i2t h GLN 136 CO -0.02 0.68 0.59 -0.22 0.09 0.00 0.00 178.83 179.95 2i2t h LYS 137 N 1.05 0.54 0.00 0.06 1.63 0.23 0.57 116.57 120.65 2i2t h LYS 137 Ca 0.40 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.09 2i2t h LYS 137 Cb 0.19 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2i2t h LYS 137 CO -0.15 0.36 -0.40 -0.07 -3.45 0.00 0.00 179.45 175.73 2i2t h LEU 138 N 0.56 0.00 -0.69 5.20 3.38 -0.47 -3.30 115.31 119.99 2i2t h LEU 138 Ca 0.65 -0.82 0.15 0.00 0.09 0.00 0.00 57.88 57.95 2i2t h LEU 138 Cb 1.27 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.90 2i2t h LEU 138 CO -0.49 1.14 -0.05 0.50 0.09 0.00 0.00 178.44 179.64 2i2t h LYS 139 N -1.00 0.07 0.00 1.13 1.63 0.10 0.66 116.57 119.16 2i2t h LYS 139 Ca -0.11 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 2i2t h LYS 139 Cb 1.07 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2i2t h LYS 139 CO -0.07 0.05 -0.08 -0.44 -3.45 0.00 0.00 179.45 175.46 2i2t h ASP 140 N 0.07 0.00 -0.65 4.20 3.45 -0.08 0.35 116.42 123.76 2i2t h ASP 140 Ca 0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.82 2i2t h ASP 140 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2i2t h ASP 140 CO -0.63 0.08 0.00 0.23 -1.57 0.00 0.00 179.24 177.34 2i2t n MET 141 N -3.50 2.53 -3.52 3.56 2.81 0.19 -4.93 117.12 114.26 2i2t n MET 141 Ca -0.02 -2.34 -0.20 0.00 -1.81 0.00 0.00 57.70 53.34 2i2t n MET 141 Cb 0.21 -1.51 0.06 0.00 -0.71 0.00 0.00 33.22 31.26 2i2t n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2i2t n ALA 142 N 1.38 -2.16 -2.52 3.04 0.00 0.12 -5.00 120.51 115.38 2i2t n ALA 142 Ca 0.22 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 2i2t n ALA 142 Cb 0.55 -3.07 -0.10 0.00 0.00 0.00 0.00 19.45 16.84 2i2t n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2i2t s LEU 143 N -6.30 2.29 0.00 0.00 1.43 0.90 -4.95 118.68 112.05 2i2t s LEU 143 Ca 0.14 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2i2t s LEU 143 Cb -0.03 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2i2t s LEU 143 CO 0.77 -0.65 0.00 -1.84 0.23 0.00 0.00 176.35 174.86 2i2t n GLU 144 N -0.82 0.00 -2.94 1.70 0.28 -1.26 -4.02 120.64 113.57 2i2t n GLU 144 Ca -0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.94 2i2t n GLU 144 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 2i2t n GLU 144 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2i2t n ASP 145 N 0.00 -7.53 -4.39 -1.84 -0.08 -0.94 -4.85 116.55 96.91 2i2t n ASP 145 Ca 0.00 0.04 -0.23 0.00 -1.51 0.00 0.00 54.79 53.09 2i2t n ASP 145 Cb 0.00 -5.11 -0.10 0.00 2.34 0.00 0.00 41.12 38.25 2i2t n ASP 145 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2i2t s VAL 146 N -2.91 1.07 -0.23 5.18 1.01 -1.24 -3.45 120.40 119.83 2i2t s VAL 146 Ca 0.04 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.10 2i2t s VAL 146 Cb -0.01 -2.66 -0.20 0.00 0.00 0.00 0.00 36.38 33.50 2i2t s VAL 146 CO 0.71 0.00 -0.08 -0.11 0.00 0.00 0.00 175.10 175.63 2i2t n LEU 147 N -0.77 1.87 -3.85 3.92 -0.00 -1.18 -3.44 117.00 113.55 2i2t n LEU 147 Ca -0.04 -0.06 -0.32 0.00 -0.00 0.00 0.00 56.01 55.59 2i2t n LEU 147 Cb 0.66 -0.40 0.02 0.00 -0.00 0.00 0.00 43.42 43.70 2i2t n LEU 147 CO 0.41 0.77 -0.15 -0.38 -0.00 0.00 0.00 177.39 178.04 2i2t n ILE 148 N -3.08 -4.35 -2.95 1.96 2.08 -1.25 -3.63 119.36 108.14 2i2t n ILE 148 Ca -0.40 -0.75 -0.42 0.00 0.56 0.00 0.00 62.75 61.74 2i2t n ILE 148 Cb 1.05 -3.39 -0.05 0.00 -0.75 0.00 0.00 39.64 36.50 2i2t n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 2i2t s ILE 149 N -3.66 4.72 0.69 1.39 2.07 -1.26 -3.42 121.20 121.72 2i2t s ILE 149 Ca 0.32 0.87 -0.07 0.00 -1.41 0.00 0.00 60.65 60.36 2i2t s ILE 149 Cb -0.13 -4.23 0.05 0.00 0.13 0.00 0.00 42.46 38.28 2i2t s ILE 149 CO 0.89 -0.46 1.01 0.28 -1.91 0.00 0.00 174.94 174.74 2i2t s THR 150 N 3.14 2.58 -0.08 4.00 -1.32 0.27 -2.43 115.64 121.80 2i2t s THR 150 Ca 0.32 -0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.60 2i2t s THR 150 Cb -0.13 -3.11 -0.01 0.00 -1.51 0.00 0.00 72.50 67.74 2i2t s THR 150 CO 0.17 -0.12 -0.06 1.23 -2.21 0.00 0.00 174.62 173.64 2i2t h GLY 151 N -0.55 0.00 0.89 6.08 0.00 -1.87 0.93 103.07 108.55 2i2t h GLY 151 Ca -0.45 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2i2t h GLY 151 CO 0.61 0.00 -1.25 -2.21 0.00 0.00 0.00 176.54 173.69 2i2t n GLU 152 N -3.92 0.62 -0.52 4.80 4.07 -1.26 -3.09 120.64 121.34 2i2t n GLU 152 Ca -0.02 0.13 0.06 0.00 -0.06 0.00 0.00 57.16 57.27 2i2t n GLU 152 Cb 0.08 -1.79 -0.03 0.00 -0.06 0.00 0.00 31.44 29.64 2i2t n GLU 152 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 2i2t n LEU 153 N -2.71 -0.35 -3.52 4.31 -0.00 -1.26 -4.93 117.00 108.54 2i2t n LEU 153 Ca -0.04 0.80 -0.13 0.00 -0.00 0.00 0.00 56.01 56.64 2i2t n LEU 153 Cb 0.66 -1.39 -0.04 0.00 -0.00 0.00 0.00 43.42 42.65 2i2t n LEU 153 CO 0.42 -0.93 0.59 1.51 -0.00 0.00 0.00 177.39 178.98 2i2t s ASP 154 N -5.49 -0.49 -0.51 1.45 1.47 -1.26 -5.07 116.67 106.77 2i2t s ASP 154 Ca 0.00 0.37 0.03 0.00 1.18 0.00 0.00 52.55 54.13 2i2t s ASP 154 Cb 0.00 0.44 0.43 0.00 -0.34 0.00 0.00 42.92 43.45 2i2t s ASP 154 CO 0.00 -0.58 1.47 -0.62 0.68 0.00 0.00 175.17 176.12 2i2t n GLU 155 N 0.43 3.24 -0.02 2.11 1.02 -1.26 -3.97 120.64 122.18 2i2t n GLU 155 Ca -0.14 -4.00 -0.05 0.00 -0.02 0.00 0.00 57.16 52.95 2i2t n GLU 155 Cb 0.59 -2.27 -0.02 0.00 -0.02 0.00 0.00 31.44 29.73 2i2t n GLU 155 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2i2t n ASN 156 N -0.64 1.27 0.00 1.62 2.85 -1.26 -4.17 115.26 114.92 2i2t n ASN 156 Ca 0.48 0.04 0.14 0.00 -0.11 0.00 0.00 54.58 55.12 2i2t n ASN 156 Cb 0.68 -0.12 0.61 0.00 1.24 0.00 0.00 39.78 42.19 2i2t n ASN 156 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2i2t n LEU 157 N -3.05 0.02 0.01 1.20 -0.00 -1.26 -2.60 117.00 111.32 2i2t n LEU 157 Ca -0.09 0.48 -0.18 0.00 -0.00 0.00 0.00 56.01 56.22 2i2t n LEU 157 Cb 0.57 -0.49 -0.12 0.00 -0.00 0.00 0.00 43.42 43.38 2i2t n LEU 157 CO 0.02 0.00 0.22 0.15 -0.00 0.00 0.00 177.39 177.78 2i2t h PHE 158 N 0.00 0.47 -0.88 1.47 3.04 -1.78 -3.11 116.94 116.14 2i2t h PHE 158 Ca 0.00 -0.29 0.06 0.00 3.98 0.00 0.00 57.97 61.72 2i2t h PHE 158 Cb 0.50 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.91 2i2t h PHE 158 CO 0.00 1.15 0.55 -0.07 -2.02 0.00 0.00 178.31 177.93 2i2t h LEU 159 N -0.34 0.87-10.09 0.59 4.07 -1.68 -3.34 115.31 105.38 2i2t h LEU 159 Ca -0.08 0.02 -0.48 0.00 0.08 0.00 0.00 57.88 57.41 2i2t h LEU 159 Cb 1.35 -0.17 0.05 0.00 1.08 0.00 0.00 40.66 42.97 2i2t h LEU 159 CO 0.11 0.56 0.40 0.00 -1.08 0.00 0.00 178.44 178.42 2i2t s ALA 160 N -6.06 2.78 -1.25 1.53 0.00 -1.07 -3.17 121.76 114.53 2i2t s ALA 160 Ca -0.13 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 2i2t s ALA 160 Cb 0.19 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2i2t s ALA 160 CO 0.79 -0.56 0.74 0.00 0.00 0.00 0.00 175.76 176.74 2i2t n ALA 161 N -1.24 -2.16 -1.12 0.00 0.00 -1.26 -4.80 120.51 109.92 2i2t n ALA 161 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2i2t n ALA 161 Cb 0.52 -2.74 0.03 0.00 0.00 0.00 0.00 19.45 17.26 2i2t n ALA 161 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i2t n ARG 162 N -4.14 0.87 -0.50 0.00 0.00 -1.19 -4.58 116.66 107.13 2i2t n ARG 162 Ca -0.24 -1.30 0.00 0.00 -0.00 0.00 0.00 57.85 56.31 2i2t n ARG 162 Cb 0.66 -0.82 0.00 0.00 0.00 0.00 0.00 32.46 32.30 2i2t n ARG 162 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2i2t n ASN 163 N -0.41 0.00 -4.34 6.15 2.85 -1.26 -5.04 115.26 113.21 2i2t n ASN 163 Ca 0.03 -1.29 -0.47 0.00 -0.11 0.00 0.00 54.58 52.75 2i2t n ASN 163 Cb 0.54 -0.06 -0.02 0.00 1.24 0.00 0.00 39.78 41.48 2i2t n ASN 163 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2i2t s LEU 164 N 0.00 6.65 0.00 1.20 1.43 -1.26 -4.96 118.68 121.74 2i2t s LEU 164 Ca 0.00 -2.65 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 2i2t s LEU 164 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2i2t s LEU 164 CO 0.00 -0.61 0.00 1.41 0.23 0.00 0.00 176.35 177.38 2i2t n HIS 165 N 4.14 0.00 -3.61 0.29 8.25 -1.26 -2.05 115.22 120.98 2i2t n HIS 165 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.33 2i2t n HIS 165 Cb 0.47 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 2i2t n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2i2t n LYS 166 N -2.43 1.98 0.00 -0.41 4.76 -1.26 -5.05 118.16 115.75 2i2t n LYS 166 Ca 0.00 -4.41 0.00 0.00 -2.87 0.00 0.00 58.31 51.03 2i2t n LYS 166 Cb 0.00 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.02 2i2t n LYS 166 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2i2t n VAL 167 N 1.47 0.00 -3.96 -0.18 3.14 -0.87 -2.22 118.33 115.72 2i2t n VAL 167 Ca 0.25 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.52 2i2t n VAL 167 Cb 0.40 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.16 2i2t n VAL 167 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2i2t s ASP 168 N 0.00 0.33 -0.06 6.55 3.68 -1.22 -4.78 116.67 121.17 2i2t s ASP 168 Ca 0.00 -1.20 -0.04 0.00 2.13 0.00 0.00 52.55 53.45 2i2t s ASP 168 Cb 0.00 0.72 0.03 0.00 -1.45 0.00 0.00 42.92 42.22 2i2t s ASP 168 CO 0.00 -1.41 0.14 0.68 0.13 0.00 0.00 175.17 174.71 2i2t s VAL 169 N -3.05 -0.03 0.02 1.11 -7.23 -1.24 -3.90 120.40 106.08 2i2t s VAL 169 Ca 0.22 0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.49 2i2t s VAL 169 Cb -0.02 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 2i2t s VAL 169 CO 0.14 0.04 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.84 2i2t s ARG 170 N 0.70 0.32 0.99 4.82 3.00 -1.22 -5.00 118.95 122.57 2i2t s ARG 170 Ca -0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 55.73 54.99 2i2t s ARG 170 Cb -0.07 0.12 0.19 0.00 0.00 0.00 0.00 34.95 35.19 2i2t s ARG 170 CO -0.03 -0.06 1.09 0.34 0.00 0.00 0.00 175.30 176.64 2i2t s ASP 171 N -1.41 2.63 0.12 0.23 2.15 -1.26 -0.57 116.67 118.56 2i2t s ASP 171 Ca -0.15 1.29 -0.32 0.00 0.43 0.00 0.00 52.55 53.81 2i2t s ASP 171 Cb -0.09 -1.97 -0.10 0.00 -0.30 0.00 0.00 42.92 40.46 2i2t s ASP 171 CO -0.01 -3.14 1.57 0.00 -0.17 0.00 0.00 175.17 173.42 2i2t h ALA 172 N -1.90 -0.76 -0.97 3.66 0.00 -0.74 -3.14 119.26 115.40 2i2t h ALA 172 Ca -0.54 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.67 2i2t h ALA 172 Cb 1.32 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 19.86 2i2t h ALA 172 CO 0.56 -1.01 1.92 0.95 0.00 0.00 0.00 179.25 181.67 2i2t s THR 173 N -5.83 4.06 0.00 0.00 -4.23 -1.26 -3.26 115.64 105.12 2i2t s THR 173 Ca -0.16 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2i2t s THR 173 Cb 0.08 -5.14 0.00 0.00 1.34 0.00 0.00 72.50 68.78 2i2t s THR 173 CO 0.63 -1.99 0.00 0.61 -0.54 0.00 0.00 174.62 173.33 2i2t n GLY 174 N 5.95 0.00 3.68 3.99 0.00 -1.19 -5.12 105.19 112.50 2i2t n GLY 174 Ca 0.43 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.93 2i2t n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2i2t n ILE 175 N 0.00 0.34 -4.00 -0.61 3.06 -1.20 -4.93 119.36 112.02 2i2t n ILE 175 Ca 0.00 -0.06 -0.35 0.00 -2.50 0.00 0.00 62.75 59.83 2i2t n ILE 175 Cb 0.00 -1.47 -0.08 0.00 0.54 0.00 0.00 39.64 38.63 2i2t n ILE 175 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2i2t s ASP 176 N 3.07 5.86 0.01 9.51 -1.08 -1.26 -5.04 116.67 127.74 2i2t s ASP 176 Ca 0.92 0.23 -0.07 0.00 -0.52 0.00 0.00 52.55 53.11 2i2t s ASP 176 Cb -0.86 -1.92 -0.04 0.00 -1.46 0.00 0.00 42.92 38.64 2i2t s ASP 176 CO 0.55 0.29 1.11 -0.65 0.52 0.00 0.00 175.17 176.99 2i2t h PRO 177 N 5.86 -0.25 -0.69 4.34 0.11 -1.97 0.55 132.00 139.95 2i2t h PRO 177 Ca -0.46 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.76 2i2t h PRO 177 Cb 1.19 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2i2t h PRO 177 CO 0.64 -0.17 0.46 -0.24 -0.21 0.00 0.00 178.00 178.48 2i2t h VAL 178 N -0.26 0.95 -0.42 3.15 3.04 -1.92 -1.72 116.25 119.07 2i2t h VAL 178 Ca -0.02 -0.21 -0.14 0.00 -1.01 0.00 0.00 66.70 65.32 2i2t h VAL 178 Cb 0.20 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 2i2t h VAL 178 CO 0.03 0.11 -0.27 0.28 -1.01 0.00 0.00 177.57 176.71 2i2t h SER 179 N 0.61 0.93 0.28 3.17 0.02 -1.90 -0.25 113.55 116.41 2i2t h SER 179 Ca 0.31 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2i2t h SER 179 Cb 0.42 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2i2t h SER 179 CO -0.10 1.14 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.41 2i2t h LEU 180 N 0.76 -0.65 -1.42 5.07 -0.00 0.04 -1.87 115.31 117.24 2i2t h LEU 180 Ca 0.09 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2i2t h LEU 180 Cb 0.84 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.69 2i2t h LEU 180 CO 0.07 -0.37 0.26 -0.29 -0.00 0.00 0.00 178.44 178.12 2i2t h ILE 181 N -0.55 1.15 -3.67 1.22 6.09 -1.46 -3.43 117.51 116.87 2i2t h ILE 181 Ca -0.01 -0.37 -0.44 0.00 -1.37 0.00 0.00 64.86 62.66 2i2t h ILE 181 Cb 0.49 0.50 0.18 0.00 0.47 0.00 0.00 36.82 38.46 2i2t h ILE 181 CO -0.03 0.16 0.14 0.00 -3.07 0.00 0.00 178.15 175.35 2i2t s ALA 182 N -5.46 0.52 0.13 0.18 0.00 -0.11 -4.84 121.76 112.18 2i2t s ALA 182 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2i2t s ALA 182 Cb 0.17 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2i2t s ALA 182 CO 0.75 -3.23 0.00 1.19 0.00 0.00 0.00 175.76 174.47 2i2t n PHE 183 N -4.47 -2.56 0.00 0.00 0.99 -1.26 -4.92 117.46 105.24 2i2t n PHE 183 Ca 0.06 0.71 0.00 0.00 -0.00 0.00 0.00 57.45 58.21 2i2t n PHE 183 Cb 0.57 -1.18 0.00 0.00 -1.00 0.00 0.00 39.48 37.87 2i2t n PHE 183 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2i2t n ASP 184 N -2.97 0.00 -4.77 4.37 8.00 -1.22 -5.06 116.55 114.89 2i2t n ASP 184 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2i2t n ASP 184 Cb 0.26 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.42 2i2t n ASP 184 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2i2t s LYS 185 N 1.78 2.67 -0.18 -1.24 3.01 -1.26 -4.91 119.74 119.61 2i2t s LYS 185 Ca 0.00 1.29 -0.03 0.00 -1.01 0.00 0.00 55.97 56.22 2i2t s LYS 185 Cb 0.00 -1.94 0.06 0.00 -1.01 0.00 0.00 37.83 34.94 2i2t s LYS 185 CO 0.00 -1.33 0.05 0.54 0.51 0.00 0.00 175.35 175.11 2i2t s VAL 186 N -2.55 0.37 0.00 3.17 0.11 0.20 -3.08 120.40 118.62 2i2t s VAL 186 Ca 0.65 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2i2t s VAL 186 Cb -0.19 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2i2t s VAL 186 CO 0.46 -0.21 0.27 0.52 -3.33 0.00 0.00 175.10 172.81 2i2t n VAL 187 N 5.11 0.00 -0.99 2.04 0.31 -1.26 -2.39 118.33 121.14 2i2t n VAL 187 Ca -0.08 0.77 0.00 0.00 -0.01 0.00 0.00 64.34 65.02 2i2t n VAL 187 Cb 0.48 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2i2t n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2i2t n MET 188 N -0.35 -2.81 -3.00 5.55 0.00 -1.22 -3.18 117.12 112.11 2i2t n MET 188 Ca 0.00 2.04 -0.24 0.00 0.00 0.00 0.00 57.70 59.51 2i2t n MET 188 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 33.22 30.96 2i2t n MET 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2i2t s THR 189 N -1.93 4.34 0.29 1.12 -4.23 -1.02 -2.42 115.64 111.78 2i2t s THR 189 Ca 0.00 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 2i2t s THR 189 Cb 0.00 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.52 2i2t s THR 189 CO 0.00 -0.45 1.84 0.00 -0.54 0.00 0.00 174.62 175.47 2i2t h ALA 190 N 0.43 1.53 0.03 3.99 0.00 -1.60 -1.35 119.26 122.29 2i2t h ALA 190 Ca -0.47 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2i2t h ALA 190 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2i2t h ALA 190 CO 0.59 0.22 -0.01 0.22 0.00 0.00 0.00 179.25 180.26 2i2t h ASP 191 N 0.98 -0.03 -0.03 0.00 -0.00 -1.94 -1.37 116.42 114.03 2i2t h ASP 191 Ca 0.50 -0.26 0.03 0.00 -0.00 0.00 0.00 57.03 57.30 2i2t h ASP 191 Cb 0.50 0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 39.78 2i2t h ASP 191 CO -0.27 0.25 -0.45 0.00 -0.00 0.00 0.00 179.24 178.77 2i2t h ALA 192 N 0.65 -0.73 -0.76 -0.78 0.00 -1.63 0.42 119.26 116.43 2i2t h ALA 192 Ca -0.00 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.01 2i2t h ALA 192 Cb 0.29 0.81 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 2i2t h ALA 192 CO 0.01 -0.99 0.30 0.28 0.00 0.00 0.00 179.25 178.85 2i2t h VAL 193 N -0.59 0.64 -0.25 0.00 2.07 -1.28 0.73 116.25 117.58 2i2t h VAL 193 Ca 0.04 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2i2t h VAL 193 Cb 0.67 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2i2t h VAL 193 CO -0.35 0.08 0.21 0.50 0.02 0.00 0.00 177.57 178.04 2i2t h LYS 194 N 0.44 0.00 0.06 1.57 3.64 0.18 0.12 116.57 122.58 2i2t h LYS 194 Ca 0.42 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.46 2i2t h LYS 194 Cb 0.66 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2i2t h LYS 194 CO -0.42 0.00 -2.01 1.04 -2.27 0.00 0.00 179.45 175.79 2i2t n GLN 195 N -4.12 0.70 0.04 1.90 6.02 0.20 -3.84 117.38 118.29 2i2t n GLN 195 Ca 0.03 0.23 0.06 0.00 -0.01 0.00 0.00 57.00 57.32 2i2t n GLN 195 Cb 0.36 -1.69 0.48 0.00 1.02 0.00 0.00 30.24 30.41 2i2t n GLN 195 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2i2t h VAL 196 N 0.04 1.05 0.04 5.09 2.07 0.90 0.34 116.25 125.77 2i2t h VAL 196 Ca -0.42 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2i2t h VAL 196 Cb 2.03 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 2i2t h VAL 196 CO 0.06 0.08 -0.24 -0.08 0.02 0.00 0.00 177.57 177.41 2i2t h GLU 197 N 0.42 -0.38 -0.38 1.57 4.57 -0.91 0.63 114.58 120.10 2i2t h GLU 197 Ca 0.14 0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.20 2i2t h GLU 197 Cb 0.06 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2i2t h GLU 197 CO -0.03 -0.25 -0.35 0.93 -1.18 0.00 0.00 179.01 178.13 2i2t h GLU 198 N -0.39 0.89 -0.09 1.92 4.39 -1.34 0.29 114.58 120.24 2i2t h GLU 198 Ca 0.05 -0.44 0.03 0.00 0.34 0.00 0.00 59.36 59.34 2i2t h GLU 198 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2i2t h GLU 198 CO -0.18 1.09 0.07 1.98 -1.16 0.00 0.00 179.01 180.81 2i2t h MET 199 N 0.73 0.00 0.00 2.33 4.05 0.09 -3.38 114.93 118.75 2i2t h MET 199 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2i2t h MET 199 Cb 0.92 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2i2t h MET 199 CO 0.09 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.51 2i2t n LEU 200 N -4.37 0.00 0.00 3.39 7.99 0.17 -5.06 117.00 119.12 2i2t n LEU 200 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2i2t n LEU 200 Cb 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2i2t n LEU 200 CO 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.21